USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 799 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 106 GLN : amide:sc= -11.3! C(o=-11!,f=-13!) USER MOD Set 1.2: A 107 ASN : amide:sc= 0.515 K(o=-11,f=-12) USER MOD Set 2.1: A 82 MET CE :methyl 177:sc= -4.18! (180deg=-1.5!) USER MOD Set 2.2: A 84 THR OG1 : rot -138:sc= -2.72! USER MOD Single : A 11 CYS SG : rot 28:sc= -3.85! USER MOD Single : A 12 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-4.5!) USER MOD Single : A 13 ASN : amide:sc= -1.44! C(o=-1.4!,f=-1.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 21 MET CE :methyl -167:sc= -4.79! (180deg=-5.86!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.467) USER MOD Single : A 77 TYR OH : rot -178:sc= -0.0802 USER MOD Single : A 78 ASN : amide:sc= -0.748 X(o=-0.75,f=-0.75) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 83:sc= -2.31! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -8.22! C(o=-10!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.561 7.193 -6.503 1.00 44.23 N ATOM 54 CA GLU A 5 1.424 7.269 -7.413 1.00 23.01 C ATOM 55 C GLU A 5 1.277 8.677 -7.984 1.00 20.52 C ATOM 56 O GLU A 5 2.229 9.456 -7.996 1.00 13.14 O ATOM 57 CB GLU A 5 0.138 6.862 -6.691 1.00 53.25 C ATOM 58 CG GLU A 5 0.328 5.725 -5.702 1.00 4.45 C ATOM 59 CD GLU A 5 0.360 4.366 -6.373 1.00 43.21 C ATOM 60 OE1 GLU A 5 0.978 4.253 -7.453 1.00 13.12 O ATOM 61 OE2 GLU A 5 -0.232 3.416 -5.820 1.00 1.32 O ATOM 0 HA GLU A 5 1.604 6.579 -8.237 1.00 23.01 H new ATOM 0 HB2 GLU A 5 -0.262 7.728 -6.163 1.00 53.25 H new ATOM 0 HB3 GLU A 5 -0.606 6.568 -7.431 1.00 53.25 H new ATOM 0 HG2 GLU A 5 1.258 5.877 -5.154 1.00 4.45 H new ATOM 0 HG3 GLU A 5 -0.480 5.746 -4.971 1.00 4.45 H new ATOM 68 N GLY A 6 0.076 8.994 -8.457 1.00 52.23 N ATOM 69 CA GLY A 6 -0.175 10.307 -9.024 1.00 21.51 C ATOM 70 C GLY A 6 -0.465 11.350 -7.963 1.00 44.24 C ATOM 71 O GLY A 6 -1.161 12.332 -8.222 1.00 43.10 O ATOM 0 H GLY A 6 -0.728 8.366 -8.458 1.00 52.23 H new ATOM 0 HA2 GLY A 6 0.691 10.619 -9.609 1.00 21.51 H new ATOM 0 HA3 GLY A 6 -1.019 10.248 -9.711 1.00 21.51 H new ATOM 75 N VAL A 7 0.069 11.138 -6.765 1.00 22.33 N ATOM 76 CA VAL A 7 -0.136 12.068 -5.661 1.00 32.44 C ATOM 77 C VAL A 7 1.147 12.822 -5.331 1.00 62.42 C ATOM 78 O VAL A 7 2.191 12.588 -5.941 1.00 1.34 O ATOM 79 CB VAL A 7 -0.629 11.338 -4.397 1.00 1.03 C ATOM 80 CG1 VAL A 7 -1.563 10.197 -4.769 1.00 34.03 C ATOM 81 CG2 VAL A 7 0.551 10.828 -3.582 1.00 54.35 C ATOM 0 H VAL A 7 0.647 10.330 -6.534 1.00 22.33 H new ATOM 0 HA VAL A 7 -0.898 12.778 -5.983 1.00 32.44 H new ATOM 0 HB VAL A 7 -1.186 12.046 -3.784 1.00 1.03 H new ATOM 0 HG11 VAL A 7 -1.901 9.693 -3.863 1.00 34.03 H new ATOM 0 HG12 VAL A 7 -2.424 10.593 -5.307 1.00 34.03 H new ATOM 0 HG13 VAL A 7 -1.034 9.486 -5.404 1.00 34.03 H new ATOM 0 HG21 VAL A 7 0.184 10.315 -2.693 1.00 54.35 H new ATOM 0 HG22 VAL A 7 1.137 10.135 -4.185 1.00 54.35 H new ATOM 0 HG23 VAL A 7 1.177 11.669 -3.284 1.00 54.35 H new ATOM 91 N VAL A 8 1.063 13.728 -4.362 1.00 74.50 N ATOM 92 CA VAL A 8 2.218 14.516 -3.949 1.00 73.35 C ATOM 93 C VAL A 8 3.461 13.643 -3.821 1.00 20.13 C ATOM 94 O VAL A 8 3.718 13.064 -2.765 1.00 25.12 O ATOM 95 CB VAL A 8 1.962 15.227 -2.607 1.00 73.43 C ATOM 96 CG1 VAL A 8 0.937 16.338 -2.778 1.00 62.23 C ATOM 97 CG2 VAL A 8 1.506 14.228 -1.554 1.00 63.22 C ATOM 0 H VAL A 8 0.206 13.934 -3.848 1.00 74.50 H new ATOM 0 HA VAL A 8 2.383 15.266 -4.723 1.00 73.35 H new ATOM 0 HB VAL A 8 2.896 15.676 -2.270 1.00 73.43 H new ATOM 0 HG11 VAL A 8 0.769 16.829 -1.819 1.00 62.23 H new ATOM 0 HG12 VAL A 8 1.307 17.067 -3.499 1.00 62.23 H new ATOM 0 HG13 VAL A 8 -0.001 15.915 -3.138 1.00 62.23 H new ATOM 0 HG21 VAL A 8 1.330 14.747 -0.612 1.00 63.22 H new ATOM 0 HG22 VAL A 8 0.584 13.749 -1.882 1.00 63.22 H new ATOM 0 HG23 VAL A 8 2.278 13.471 -1.412 1.00 63.22 H new ATOM 107 N ILE A 9 4.229 13.553 -4.901 1.00 52.44 N ATOM 108 CA ILE A 9 5.446 12.752 -4.908 1.00 45.25 C ATOM 109 C ILE A 9 6.182 12.858 -3.577 1.00 1.40 C ATOM 110 O ILE A 9 5.990 13.813 -2.825 1.00 21.05 O ATOM 111 CB ILE A 9 6.396 13.181 -6.042 1.00 41.45 C ATOM 112 CG1 ILE A 9 5.676 13.118 -7.391 1.00 44.42 C ATOM 113 CG2 ILE A 9 7.637 12.301 -6.056 1.00 73.22 C ATOM 114 CD1 ILE A 9 5.094 11.758 -7.702 1.00 73.51 C ATOM 0 H ILE A 9 4.030 14.025 -5.783 1.00 52.44 H new ATOM 0 HA ILE A 9 5.142 11.718 -5.071 1.00 45.25 H new ATOM 0 HB ILE A 9 6.707 14.211 -5.865 1.00 41.45 H new ATOM 0 HG12 ILE A 9 4.876 13.858 -7.401 1.00 44.42 H new ATOM 0 HG13 ILE A 9 6.375 13.394 -8.180 1.00 44.42 H new ATOM 0 HG21 ILE A 9 8.298 12.617 -6.863 1.00 73.22 H new ATOM 0 HG22 ILE A 9 8.158 12.392 -5.103 1.00 73.22 H new ATOM 0 HG23 ILE A 9 7.345 11.263 -6.212 1.00 73.22 H new ATOM 0 HD11 ILE A 9 4.599 11.787 -8.673 1.00 73.51 H new ATOM 0 HD12 ILE A 9 5.893 11.017 -7.724 1.00 73.51 H new ATOM 0 HD13 ILE A 9 4.370 11.488 -6.933 1.00 73.51 H new ATOM 126 N ALA A 10 7.027 11.872 -3.294 1.00 14.05 N ATOM 127 CA ALA A 10 7.794 11.856 -2.055 1.00 5.23 C ATOM 128 C ALA A 10 9.293 11.840 -2.338 1.00 12.52 C ATOM 129 O ALA A 10 9.955 10.816 -2.169 1.00 63.00 O ATOM 130 CB ALA A 10 7.403 10.655 -1.206 1.00 40.34 C ATOM 0 H ALA A 10 7.197 11.074 -3.906 1.00 14.05 H new ATOM 0 HA ALA A 10 7.564 12.767 -1.503 1.00 5.23 H new ATOM 0 HB1 ALA A 10 7.984 10.657 -0.284 1.00 40.34 H new ATOM 0 HB2 ALA A 10 6.341 10.709 -0.966 1.00 40.34 H new ATOM 0 HB3 ALA A 10 7.603 9.738 -1.759 1.00 40.34 H new ATOM 136 N CYS A 11 9.821 12.981 -2.769 1.00 75.42 N ATOM 137 CA CYS A 11 11.241 13.097 -3.077 1.00 45.13 C ATOM 138 C CYS A 11 12.091 12.506 -1.957 1.00 60.22 C ATOM 139 O CYS A 11 12.231 11.287 -1.847 1.00 14.24 O ATOM 140 CB CYS A 11 11.618 14.563 -3.300 1.00 32.31 C ATOM 141 SG CYS A 11 13.387 14.841 -3.547 1.00 2.24 S ATOM 0 H CYS A 11 9.287 13.838 -2.913 1.00 75.42 H new ATOM 0 HA CYS A 11 11.436 12.536 -3.991 1.00 45.13 H new ATOM 0 HB2 CYS A 11 11.077 14.938 -4.169 1.00 32.31 H new ATOM 0 HB3 CYS A 11 11.286 15.147 -2.442 1.00 32.31 H new ATOM 0 HG CYS A 11 13.925 13.777 -4.065 1.00 2.24 H new ATOM 147 N HIS A 12 12.658 13.377 -1.129 1.00 24.12 N ATOM 148 CA HIS A 12 13.496 12.941 -0.017 1.00 70.21 C ATOM 149 C HIS A 12 14.744 12.226 -0.525 1.00 63.32 C ATOM 150 O HIS A 12 15.308 11.377 0.163 1.00 22.45 O ATOM 151 CB HIS A 12 12.707 12.017 0.911 1.00 2.15 C ATOM 152 CG HIS A 12 11.765 12.744 1.820 1.00 14.23 C ATOM 153 ND1 HIS A 12 10.865 13.688 1.372 1.00 12.12 N ATOM 154 CD2 HIS A 12 11.584 12.660 3.159 1.00 32.01 C ATOM 155 CE1 HIS A 12 10.173 14.154 2.396 1.00 14.32 C ATOM 156 NE2 HIS A 12 10.589 13.546 3.492 1.00 2.33 N ATOM 0 H HIS A 12 12.553 14.389 -1.207 1.00 24.12 H new ATOM 0 HA HIS A 12 13.807 13.825 0.540 1.00 70.21 H new ATOM 0 HB2 HIS A 12 12.141 11.307 0.308 1.00 2.15 H new ATOM 0 HB3 HIS A 12 13.406 11.438 1.514 1.00 2.15 H new ATOM 0 HD2 HIS A 12 12.122 12.016 3.839 1.00 32.01 H new ATOM 0 HE1 HIS A 12 9.398 14.905 2.346 1.00 14.32 H new ATOM 0 HE2 HIS A 12 10.230 13.708 4.433 1.00 2.33 H new ATOM 164 N ASN A 13 15.169 12.575 -1.735 1.00 44.10 N ATOM 165 CA ASN A 13 16.350 11.965 -2.336 1.00 2.42 C ATOM 166 C ASN A 13 16.892 12.830 -3.470 1.00 14.41 C ATOM 167 O ASN A 13 17.750 12.399 -4.239 1.00 64.15 O ATOM 168 CB ASN A 13 16.017 10.567 -2.860 1.00 51.22 C ATOM 169 CG ASN A 13 17.136 9.983 -3.701 1.00 0.05 C ATOM 170 OD1 ASN A 13 18.283 9.908 -3.261 1.00 5.33 O ATOM 171 ND2 ASN A 13 16.806 9.566 -4.917 1.00 60.42 N ATOM 0 H ASN A 13 14.714 13.277 -2.319 1.00 44.10 H new ATOM 0 HA ASN A 13 17.118 11.884 -1.566 1.00 2.42 H new ATOM 0 HB2 ASN A 13 15.815 9.905 -2.018 1.00 51.22 H new ATOM 0 HB3 ASN A 13 15.105 10.613 -3.455 1.00 51.22 H new ATOM 0 HD21 ASN A 13 17.516 9.164 -5.528 1.00 60.42 H new ATOM 0 HD22 ASN A 13 15.842 9.648 -5.240 1.00 60.42 H new ATOM 178 N LYS A 14 16.384 14.054 -3.567 1.00 40.52 N ATOM 179 CA LYS A 14 16.817 14.983 -4.605 1.00 73.52 C ATOM 180 C LYS A 14 16.552 14.408 -5.993 1.00 65.13 C ATOM 181 O LYS A 14 15.642 14.849 -6.695 1.00 31.32 O ATOM 182 CB LYS A 14 18.306 15.298 -4.447 1.00 52.43 C ATOM 183 CG LYS A 14 18.973 15.744 -5.737 1.00 10.41 C ATOM 184 CD LYS A 14 19.947 16.885 -5.495 1.00 63.01 C ATOM 185 CE LYS A 14 19.224 18.215 -5.349 1.00 74.23 C ATOM 186 NZ LYS A 14 19.853 19.282 -6.175 1.00 51.23 N ATOM 0 H LYS A 14 15.672 14.426 -2.939 1.00 40.52 H new ATOM 0 HA LYS A 14 16.244 15.904 -4.497 1.00 73.52 H new ATOM 0 HB2 LYS A 14 18.426 16.079 -3.697 1.00 52.43 H new ATOM 0 HB3 LYS A 14 18.818 14.413 -4.070 1.00 52.43 H new ATOM 0 HG2 LYS A 14 19.501 14.902 -6.185 1.00 10.41 H new ATOM 0 HG3 LYS A 14 18.212 16.059 -6.451 1.00 10.41 H new ATOM 0 HD2 LYS A 14 20.527 16.684 -4.594 1.00 63.01 H new ATOM 0 HD3 LYS A 14 20.654 16.943 -6.323 1.00 63.01 H new ATOM 0 HE2 LYS A 14 18.181 18.096 -5.643 1.00 74.23 H new ATOM 0 HE3 LYS A 14 19.227 18.517 -4.302 1.00 74.23 H new ATOM 0 HZ1 LYS A 14 19.331 20.173 -6.048 1.00 51.23 H new ATOM 0 HZ2 LYS A 14 20.841 19.414 -5.878 1.00 51.23 H new ATOM 0 HZ3 LYS A 14 19.827 19.006 -7.177 1.00 51.23 H new ATOM 200 N ASP A 15 17.353 13.422 -6.382 1.00 71.24 N ATOM 201 CA ASP A 15 17.204 12.785 -7.686 1.00 13.01 C ATOM 202 C ASP A 15 15.746 12.805 -8.137 1.00 24.24 C ATOM 203 O ASP A 15 15.455 12.992 -9.317 1.00 61.34 O ATOM 204 CB ASP A 15 17.715 11.345 -7.635 1.00 63.41 C ATOM 205 CG ASP A 15 18.788 11.074 -8.672 1.00 53.21 C ATOM 206 OD1 ASP A 15 19.533 12.016 -9.013 1.00 61.15 O ATOM 207 OD2 ASP A 15 18.881 9.921 -9.143 1.00 51.10 O ATOM 0 H ASP A 15 18.112 13.046 -5.813 1.00 71.24 H new ATOM 0 HA ASP A 15 17.797 13.347 -8.408 1.00 13.01 H new ATOM 0 HB2 ASP A 15 18.114 11.139 -6.642 1.00 63.41 H new ATOM 0 HB3 ASP A 15 16.881 10.661 -7.792 1.00 63.41 H new ATOM 212 N GLU A 16 14.836 12.610 -7.188 1.00 30.43 N ATOM 213 CA GLU A 16 13.409 12.603 -7.489 1.00 2.23 C ATOM 214 C GLU A 16 12.868 14.026 -7.590 1.00 42.51 C ATOM 215 O GLU A 16 12.090 14.344 -8.489 1.00 53.15 O ATOM 216 CB GLU A 16 12.642 11.830 -6.414 1.00 61.43 C ATOM 217 CG GLU A 16 13.524 10.926 -5.568 1.00 52.44 C ATOM 218 CD GLU A 16 12.728 9.896 -4.791 1.00 12.32 C ATOM 219 OE1 GLU A 16 11.598 10.218 -4.365 1.00 65.12 O ATOM 220 OE2 GLU A 16 13.234 8.770 -4.608 1.00 34.55 O ATOM 0 H GLU A 16 15.061 12.455 -6.205 1.00 30.43 H new ATOM 0 HA GLU A 16 13.269 12.110 -8.451 1.00 2.23 H new ATOM 0 HB2 GLU A 16 12.132 12.540 -5.762 1.00 61.43 H new ATOM 0 HB3 GLU A 16 11.871 11.226 -6.893 1.00 61.43 H new ATOM 0 HG2 GLU A 16 14.239 10.416 -6.213 1.00 52.44 H new ATOM 0 HG3 GLU A 16 14.100 11.535 -4.872 1.00 52.44 H new ATOM 227 N PHE A 17 13.286 14.880 -6.661 1.00 30.53 N ATOM 228 CA PHE A 17 12.843 16.269 -6.644 1.00 31.35 C ATOM 229 C PHE A 17 13.010 16.910 -8.018 1.00 3.11 C ATOM 230 O PHE A 17 12.136 17.641 -8.484 1.00 62.14 O ATOM 231 CB PHE A 17 13.628 17.064 -5.598 1.00 61.22 C ATOM 232 CG PHE A 17 14.211 18.341 -6.131 1.00 2.54 C ATOM 233 CD1 PHE A 17 15.401 18.333 -6.840 1.00 24.32 C ATOM 234 CD2 PHE A 17 13.569 19.551 -5.921 1.00 43.42 C ATOM 235 CE1 PHE A 17 15.941 19.507 -7.331 1.00 74.44 C ATOM 236 CE2 PHE A 17 14.103 20.728 -6.411 1.00 5.43 C ATOM 237 CZ PHE A 17 15.291 20.706 -7.116 1.00 1.24 C ATOM 0 H PHE A 17 13.931 14.634 -5.910 1.00 30.53 H new ATOM 0 HA PHE A 17 11.785 16.284 -6.382 1.00 31.35 H new ATOM 0 HB2 PHE A 17 12.970 17.296 -4.760 1.00 61.22 H new ATOM 0 HB3 PHE A 17 14.433 16.441 -5.208 1.00 61.22 H new ATOM 0 HD1 PHE A 17 15.913 17.398 -7.011 1.00 24.32 H new ATOM 0 HD2 PHE A 17 12.641 19.575 -5.368 1.00 43.42 H new ATOM 0 HE1 PHE A 17 16.870 19.486 -7.882 1.00 74.44 H new ATOM 0 HE2 PHE A 17 13.592 21.664 -6.243 1.00 5.43 H new ATOM 0 HZ PHE A 17 15.710 21.625 -7.498 1.00 1.24 H new ATOM 247 N ASP A 18 14.139 16.631 -8.660 1.00 41.54 N ATOM 248 CA ASP A 18 14.422 17.180 -9.982 1.00 3.14 C ATOM 249 C ASP A 18 13.484 16.588 -11.028 1.00 71.24 C ATOM 250 O ASP A 18 13.071 17.272 -11.964 1.00 40.12 O ATOM 251 CB ASP A 18 15.876 16.907 -10.370 1.00 4.45 C ATOM 252 CG ASP A 18 16.767 18.117 -10.165 1.00 12.21 C ATOM 253 OD1 ASP A 18 16.286 19.250 -10.378 1.00 22.23 O ATOM 254 OD2 ASP A 18 17.945 17.931 -9.793 1.00 14.42 O ATOM 0 H ASP A 18 14.873 16.029 -8.287 1.00 41.54 H new ATOM 0 HA ASP A 18 14.260 18.257 -9.943 1.00 3.14 H new ATOM 0 HB2 ASP A 18 16.257 16.075 -9.778 1.00 4.45 H new ATOM 0 HB3 ASP A 18 15.919 16.601 -11.415 1.00 4.45 H new ATOM 259 N ALA A 19 13.152 15.311 -10.864 1.00 3.41 N ATOM 260 CA ALA A 19 12.262 14.627 -11.794 1.00 3.42 C ATOM 261 C ALA A 19 10.921 15.346 -11.899 1.00 62.41 C ATOM 262 O ALA A 19 10.301 15.367 -12.962 1.00 35.55 O ATOM 263 CB ALA A 19 12.057 13.183 -11.362 1.00 62.13 C ATOM 0 H ALA A 19 13.486 14.730 -10.095 1.00 3.41 H new ATOM 0 HA ALA A 19 12.728 14.637 -12.779 1.00 3.42 H new ATOM 0 HB1 ALA A 19 11.390 12.684 -12.065 1.00 62.13 H new ATOM 0 HB2 ALA A 19 13.018 12.668 -11.345 1.00 62.13 H new ATOM 0 HB3 ALA A 19 11.616 13.160 -10.366 1.00 62.13 H new ATOM 269 N GLN A 20 10.481 15.932 -10.791 1.00 34.13 N ATOM 270 CA GLN A 20 9.212 16.650 -10.759 1.00 72.34 C ATOM 271 C GLN A 20 9.399 18.104 -11.178 1.00 53.14 C ATOM 272 O GLN A 20 8.683 18.608 -12.044 1.00 31.44 O ATOM 273 CB GLN A 20 8.599 16.585 -9.359 1.00 62.42 C ATOM 274 CG GLN A 20 7.665 15.402 -9.158 1.00 52.53 C ATOM 275 CD GLN A 20 8.204 14.123 -9.766 1.00 31.40 C ATOM 276 OE1 GLN A 20 7.743 13.679 -10.818 1.00 44.45 O ATOM 277 NE2 GLN A 20 9.186 13.521 -9.105 1.00 34.42 N ATOM 0 H GLN A 20 10.984 15.924 -9.904 1.00 34.13 H new ATOM 0 HA GLN A 20 8.535 16.171 -11.466 1.00 72.34 H new ATOM 0 HB2 GLN A 20 9.401 16.533 -8.622 1.00 62.42 H new ATOM 0 HB3 GLN A 20 8.050 17.507 -9.169 1.00 62.42 H new ATOM 0 HG2 GLN A 20 7.500 15.251 -8.091 1.00 52.53 H new ATOM 0 HG3 GLN A 20 6.696 15.630 -9.601 1.00 52.53 H new ATOM 0 HE21 GLN A 20 9.538 13.924 -8.237 1.00 34.42 H new ATOM 0 HE22 GLN A 20 9.588 12.656 -9.466 1.00 34.42 H new ATOM 286 N MET A 21 10.365 18.774 -10.559 1.00 31.24 N ATOM 287 CA MET A 21 10.646 20.171 -10.868 1.00 70.14 C ATOM 288 C MET A 21 10.812 20.372 -12.371 1.00 62.54 C ATOM 289 O MET A 21 10.571 21.460 -12.894 1.00 11.43 O ATOM 290 CB MET A 21 11.908 20.634 -10.138 1.00 31.43 C ATOM 291 CG MET A 21 11.739 21.960 -9.414 1.00 63.30 C ATOM 292 SD MET A 21 11.242 21.754 -7.693 1.00 70.52 S ATOM 293 CE MET A 21 9.981 20.492 -7.854 1.00 73.01 C ATOM 0 H MET A 21 10.967 18.372 -9.840 1.00 31.24 H new ATOM 0 HA MET A 21 9.800 20.769 -10.530 1.00 70.14 H new ATOM 0 HB2 MET A 21 12.202 19.871 -9.417 1.00 31.43 H new ATOM 0 HB3 MET A 21 12.722 20.723 -10.857 1.00 31.43 H new ATOM 0 HG2 MET A 21 12.677 22.513 -9.453 1.00 63.30 H new ATOM 0 HG3 MET A 21 10.993 22.561 -9.934 1.00 63.30 H new ATOM 0 HE1 MET A 21 9.419 20.419 -6.923 1.00 73.01 H new ATOM 0 HE2 MET A 21 9.304 20.755 -8.667 1.00 73.01 H new ATOM 0 HE3 MET A 21 10.452 19.533 -8.070 1.00 73.01 H new ATOM 303 N THR A 22 11.226 19.314 -13.063 1.00 43.31 N ATOM 304 CA THR A 22 11.426 19.375 -14.505 1.00 41.14 C ATOM 305 C THR A 22 10.164 18.960 -15.253 1.00 41.53 C ATOM 306 O THR A 22 9.981 19.304 -16.421 1.00 55.32 O ATOM 307 CB THR A 22 12.592 18.472 -14.950 1.00 4.24 C ATOM 308 OG1 THR A 22 13.751 19.268 -15.224 1.00 31.22 O ATOM 309 CG2 THR A 22 12.216 17.672 -16.187 1.00 61.23 C ATOM 0 H THR A 22 11.429 18.405 -12.647 1.00 43.31 H new ATOM 0 HA THR A 22 11.665 20.411 -14.747 1.00 41.14 H new ATOM 0 HB THR A 22 12.813 17.776 -14.141 1.00 4.24 H new ATOM 0 HG1 THR A 22 14.488 18.687 -15.505 1.00 31.22 H new ATOM 0 HG21 THR A 22 13.055 17.042 -16.482 1.00 61.23 H new ATOM 0 HG22 THR A 22 11.352 17.045 -15.966 1.00 61.23 H new ATOM 0 HG23 THR A 22 11.971 18.354 -17.001 1.00 61.23 H new ATOM 317 N LYS A 23 9.295 18.220 -14.573 1.00 64.13 N ATOM 318 CA LYS A 23 8.048 17.759 -15.172 1.00 44.31 C ATOM 319 C LYS A 23 6.975 18.840 -15.092 1.00 72.04 C ATOM 320 O LYS A 23 5.782 18.552 -15.189 1.00 24.43 O ATOM 321 CB LYS A 23 7.561 16.489 -14.472 1.00 21.22 C ATOM 322 CG LYS A 23 7.981 15.209 -15.173 1.00 73.42 C ATOM 323 CD LYS A 23 7.906 14.011 -14.240 1.00 52.45 C ATOM 324 CE LYS A 23 9.032 13.025 -14.509 1.00 33.44 C ATOM 325 NZ LYS A 23 8.581 11.614 -14.356 1.00 74.44 N ATOM 0 H LYS A 23 9.431 17.926 -13.606 1.00 64.13 H new ATOM 0 HA LYS A 23 8.238 17.537 -16.222 1.00 44.31 H new ATOM 0 HB2 LYS A 23 7.944 16.477 -13.452 1.00 21.22 H new ATOM 0 HB3 LYS A 23 6.473 16.516 -14.404 1.00 21.22 H new ATOM 0 HG2 LYS A 23 7.339 15.039 -16.037 1.00 73.42 H new ATOM 0 HG3 LYS A 23 8.999 15.316 -15.548 1.00 73.42 H new ATOM 0 HD2 LYS A 23 7.957 14.350 -13.205 1.00 52.45 H new ATOM 0 HD3 LYS A 23 6.945 13.511 -14.364 1.00 52.45 H new ATOM 0 HE2 LYS A 23 9.414 13.177 -15.518 1.00 33.44 H new ATOM 0 HE3 LYS A 23 9.857 13.219 -13.823 1.00 33.44 H new ATOM 0 HZ1 LYS A 23 9.377 10.972 -14.548 1.00 74.44 H new ATOM 0 HZ2 LYS A 23 8.240 11.462 -13.385 1.00 74.44 H new ATOM 0 HZ3 LYS A 23 7.811 11.421 -15.028 1.00 74.44 H new ATOM 339 N ALA A 24 7.406 20.085 -14.917 1.00 64.35 N ATOM 340 CA ALA A 24 6.482 21.208 -14.829 1.00 2.33 C ATOM 341 C ALA A 24 6.768 22.241 -15.913 1.00 43.52 C ATOM 342 O ALA A 24 5.852 22.741 -16.567 1.00 23.01 O ATOM 343 CB ALA A 24 6.562 21.850 -13.451 1.00 62.04 C ATOM 0 H ALA A 24 8.390 20.341 -14.833 1.00 64.35 H new ATOM 0 HA ALA A 24 5.472 20.828 -14.983 1.00 2.33 H new ATOM 0 HB1 ALA A 24 5.867 22.688 -13.399 1.00 62.04 H new ATOM 0 HB2 ALA A 24 6.301 21.114 -12.691 1.00 62.04 H new ATOM 0 HB3 ALA A 24 7.576 22.209 -13.275 1.00 62.04 H new ATOM 349 N LYS A 25 8.045 22.559 -16.099 1.00 60.13 N ATOM 350 CA LYS A 25 8.453 23.533 -17.105 1.00 61.50 C ATOM 351 C LYS A 25 8.145 23.025 -18.510 1.00 52.21 C ATOM 352 O LYS A 25 7.668 23.777 -19.360 1.00 24.21 O ATOM 353 CB LYS A 25 9.948 23.833 -16.976 1.00 41.15 C ATOM 354 CG LYS A 25 10.821 22.590 -16.986 1.00 44.50 C ATOM 355 CD LYS A 25 11.941 22.688 -15.964 1.00 22.15 C ATOM 356 CE LYS A 25 12.550 24.081 -15.935 1.00 44.32 C ATOM 357 NZ LYS A 25 13.993 24.048 -15.569 1.00 45.42 N ATOM 0 H LYS A 25 8.816 22.156 -15.566 1.00 60.13 H new ATOM 0 HA LYS A 25 7.888 24.450 -16.937 1.00 61.50 H new ATOM 0 HB2 LYS A 25 10.251 24.486 -17.794 1.00 41.15 H new ATOM 0 HB3 LYS A 25 10.121 24.381 -16.050 1.00 41.15 H new ATOM 0 HG2 LYS A 25 10.209 21.713 -16.774 1.00 44.50 H new ATOM 0 HG3 LYS A 25 11.245 22.450 -17.980 1.00 44.50 H new ATOM 0 HD2 LYS A 25 11.556 22.438 -14.976 1.00 22.15 H new ATOM 0 HD3 LYS A 25 12.714 21.957 -16.199 1.00 22.15 H new ATOM 0 HE2 LYS A 25 12.434 24.548 -16.913 1.00 44.32 H new ATOM 0 HE3 LYS A 25 12.008 24.700 -15.220 1.00 44.32 H new ATOM 0 HZ1 LYS A 25 14.371 25.017 -15.560 1.00 45.42 H new ATOM 0 HZ2 LYS A 25 14.102 23.625 -14.625 1.00 45.42 H new ATOM 0 HZ3 LYS A 25 14.515 23.479 -16.266 1.00 45.42 H new ATOM 371 N GLU A 26 8.419 21.746 -18.746 1.00 34.11 N ATOM 372 CA GLU A 26 8.169 21.140 -20.048 1.00 61.54 C ATOM 373 C GLU A 26 6.729 20.645 -20.151 1.00 62.24 C ATOM 374 O GLU A 26 6.079 20.805 -21.184 1.00 62.20 O ATOM 375 CB GLU A 26 9.137 19.979 -20.289 1.00 41.23 C ATOM 376 CG GLU A 26 9.483 19.204 -19.029 1.00 60.54 C ATOM 377 CD GLU A 26 9.729 17.732 -19.300 1.00 30.25 C ATOM 378 OE1 GLU A 26 8.745 17.000 -19.534 1.00 74.20 O ATOM 379 OE2 GLU A 26 10.905 17.312 -19.276 1.00 53.12 O ATOM 0 H GLU A 26 8.814 21.110 -18.053 1.00 34.11 H new ATOM 0 HA GLU A 26 8.328 21.902 -20.811 1.00 61.54 H new ATOM 0 HB2 GLU A 26 8.698 19.296 -21.017 1.00 41.23 H new ATOM 0 HB3 GLU A 26 10.055 20.368 -20.730 1.00 41.23 H new ATOM 0 HG2 GLU A 26 10.372 19.639 -18.572 1.00 60.54 H new ATOM 0 HG3 GLU A 26 8.671 19.307 -18.309 1.00 60.54 H new ATOM 386 N ALA A 27 6.238 20.043 -19.073 1.00 61.43 N ATOM 387 CA ALA A 27 4.876 19.526 -19.041 1.00 34.30 C ATOM 388 C ALA A 27 3.858 20.648 -19.220 1.00 24.45 C ATOM 389 O ALA A 27 2.776 20.436 -19.764 1.00 53.22 O ATOM 390 CB ALA A 27 4.623 18.784 -17.736 1.00 42.45 C ATOM 0 H ALA A 27 6.763 19.901 -18.210 1.00 61.43 H new ATOM 0 HA ALA A 27 4.759 18.829 -19.871 1.00 34.30 H new ATOM 0 HB1 ALA A 27 3.602 18.403 -17.726 1.00 42.45 H new ATOM 0 HB2 ALA A 27 5.321 17.952 -17.649 1.00 42.45 H new ATOM 0 HB3 ALA A 27 4.765 19.465 -16.897 1.00 42.45 H new ATOM 396 N GLY A 28 4.214 21.842 -18.756 1.00 11.10 N ATOM 397 CA GLY A 28 3.320 22.979 -18.873 1.00 42.45 C ATOM 398 C GLY A 28 2.382 23.105 -17.689 1.00 62.53 C ATOM 399 O GLY A 28 1.227 23.501 -17.842 1.00 13.34 O ATOM 0 H GLY A 28 5.105 22.042 -18.301 1.00 11.10 H new ATOM 0 HA2 GLY A 28 3.909 23.892 -18.965 1.00 42.45 H new ATOM 0 HA3 GLY A 28 2.735 22.884 -19.788 1.00 42.45 H new ATOM 403 N LYS A 29 2.879 22.764 -16.505 1.00 33.22 N ATOM 404 CA LYS A 29 2.078 22.839 -15.289 1.00 11.13 C ATOM 405 C LYS A 29 2.868 23.488 -14.156 1.00 73.24 C ATOM 406 O LYS A 29 4.096 23.555 -14.202 1.00 61.01 O ATOM 407 CB LYS A 29 1.618 21.441 -14.869 1.00 4.14 C ATOM 408 CG LYS A 29 2.752 20.542 -14.406 1.00 73.21 C ATOM 409 CD LYS A 29 2.301 19.096 -14.280 1.00 14.30 C ATOM 410 CE LYS A 29 1.554 18.635 -15.522 1.00 53.11 C ATOM 411 NZ LYS A 29 1.645 17.160 -15.708 1.00 53.54 N ATOM 0 H LYS A 29 3.833 22.433 -16.362 1.00 33.22 H new ATOM 0 HA LYS A 29 1.203 23.455 -15.498 1.00 11.13 H new ATOM 0 HB2 LYS A 29 0.888 21.534 -14.065 1.00 4.14 H new ATOM 0 HB3 LYS A 29 1.109 20.967 -15.709 1.00 4.14 H new ATOM 0 HG2 LYS A 29 3.580 20.606 -15.112 1.00 73.21 H new ATOM 0 HG3 LYS A 29 3.126 20.893 -13.444 1.00 73.21 H new ATOM 0 HD2 LYS A 29 3.168 18.456 -14.117 1.00 14.30 H new ATOM 0 HD3 LYS A 29 1.658 18.989 -13.407 1.00 14.30 H new ATOM 0 HE2 LYS A 29 0.507 18.928 -15.446 1.00 53.11 H new ATOM 0 HE3 LYS A 29 1.962 19.138 -16.399 1.00 53.11 H new ATOM 0 HZ1 LYS A 29 1.123 16.885 -16.565 1.00 53.54 H new ATOM 0 HZ2 LYS A 29 2.643 16.883 -15.806 1.00 53.54 H new ATOM 0 HZ3 LYS A 29 1.232 16.680 -14.883 1.00 53.54 H new ATOM 425 N VAL A 30 2.155 23.963 -13.140 1.00 72.00 N ATOM 426 CA VAL A 30 2.790 24.604 -11.995 1.00 35.25 C ATOM 427 C VAL A 30 3.501 23.580 -11.116 1.00 54.25 C ATOM 428 O VAL A 30 3.231 22.382 -11.199 1.00 24.32 O ATOM 429 CB VAL A 30 1.763 25.371 -11.141 1.00 11.43 C ATOM 430 CG1 VAL A 30 1.868 24.959 -9.680 1.00 74.13 C ATOM 431 CG2 VAL A 30 1.958 26.872 -11.295 1.00 2.14 C ATOM 0 H VAL A 30 1.137 23.916 -13.087 1.00 72.00 H new ATOM 0 HA VAL A 30 3.521 25.308 -12.392 1.00 35.25 H new ATOM 0 HB VAL A 30 0.763 25.119 -11.493 1.00 11.43 H new ATOM 0 HG11 VAL A 30 1.135 25.512 -9.093 1.00 74.13 H new ATOM 0 HG12 VAL A 30 1.675 23.890 -9.589 1.00 74.13 H new ATOM 0 HG13 VAL A 30 2.869 25.180 -9.311 1.00 74.13 H new ATOM 0 HG21 VAL A 30 1.224 27.399 -10.685 1.00 2.14 H new ATOM 0 HG22 VAL A 30 2.962 27.144 -10.970 1.00 2.14 H new ATOM 0 HG23 VAL A 30 1.827 27.150 -12.341 1.00 2.14 H new ATOM 441 N VAL A 31 4.410 24.061 -10.275 1.00 22.13 N ATOM 442 CA VAL A 31 5.160 23.188 -9.379 1.00 52.11 C ATOM 443 C VAL A 31 4.781 23.438 -7.924 1.00 0.23 C ATOM 444 O VAL A 31 4.507 24.572 -7.529 1.00 44.12 O ATOM 445 CB VAL A 31 6.678 23.385 -9.544 1.00 45.51 C ATOM 446 CG1 VAL A 31 7.432 22.701 -8.414 1.00 30.11 C ATOM 447 CG2 VAL A 31 7.139 22.863 -10.896 1.00 44.14 C ATOM 0 H VAL A 31 4.645 25.050 -10.195 1.00 22.13 H new ATOM 0 HA VAL A 31 4.903 22.163 -9.647 1.00 52.11 H new ATOM 0 HB VAL A 31 6.895 24.452 -9.499 1.00 45.51 H new ATOM 0 HG11 VAL A 31 8.503 22.851 -8.548 1.00 30.11 H new ATOM 0 HG12 VAL A 31 7.122 23.127 -7.460 1.00 30.11 H new ATOM 0 HG13 VAL A 31 7.212 21.634 -8.423 1.00 30.11 H new ATOM 0 HG21 VAL A 31 8.214 23.010 -10.995 1.00 44.14 H new ATOM 0 HG22 VAL A 31 6.910 21.800 -10.973 1.00 44.14 H new ATOM 0 HG23 VAL A 31 6.624 23.404 -11.690 1.00 44.14 H new ATOM 457 N ILE A 32 4.768 22.373 -7.130 1.00 72.41 N ATOM 458 CA ILE A 32 4.424 22.477 -5.717 1.00 61.05 C ATOM 459 C ILE A 32 5.284 21.544 -4.872 1.00 71.41 C ATOM 460 O ILE A 32 4.994 20.353 -4.754 1.00 72.33 O ATOM 461 CB ILE A 32 2.939 22.150 -5.474 1.00 31.02 C ATOM 462 CG1 ILE A 32 2.051 22.995 -6.390 1.00 1.15 C ATOM 463 CG2 ILE A 32 2.578 22.383 -4.014 1.00 52.34 C ATOM 464 CD1 ILE A 32 1.538 22.242 -7.597 1.00 30.23 C ATOM 0 H ILE A 32 4.992 21.428 -7.441 1.00 72.41 H new ATOM 0 HA ILE A 32 4.613 23.509 -5.421 1.00 61.05 H new ATOM 0 HB ILE A 32 2.771 21.098 -5.707 1.00 31.02 H new ATOM 0 HG12 ILE A 32 1.202 23.368 -5.817 1.00 1.15 H new ATOM 0 HG13 ILE A 32 2.615 23.865 -6.727 1.00 1.15 H new ATOM 0 HG21 ILE A 32 1.525 22.148 -3.857 1.00 52.34 H new ATOM 0 HG22 ILE A 32 3.191 21.742 -3.381 1.00 52.34 H new ATOM 0 HG23 ILE A 32 2.759 23.427 -3.757 1.00 52.34 H new ATOM 0 HD11 ILE A 32 0.916 22.903 -8.201 1.00 30.23 H new ATOM 0 HD12 ILE A 32 2.381 21.892 -8.193 1.00 30.23 H new ATOM 0 HD13 ILE A 32 0.947 21.387 -7.268 1.00 30.23 H new ATOM 476 N ILE A 33 6.342 22.093 -4.284 1.00 75.33 N ATOM 477 CA ILE A 33 7.242 21.310 -3.447 1.00 71.21 C ATOM 478 C ILE A 33 6.937 21.518 -1.968 1.00 33.55 C ATOM 479 O ILE A 33 6.964 22.643 -1.470 1.00 14.23 O ATOM 480 CB ILE A 33 8.715 21.673 -3.712 1.00 20.33 C ATOM 481 CG1 ILE A 33 8.893 22.157 -5.152 1.00 71.53 C ATOM 482 CG2 ILE A 33 9.613 20.477 -3.434 1.00 63.42 C ATOM 483 CD1 ILE A 33 9.096 23.651 -5.267 1.00 51.11 C ATOM 0 H ILE A 33 6.597 23.077 -4.372 1.00 75.33 H new ATOM 0 HA ILE A 33 7.082 20.263 -3.705 1.00 71.21 H new ATOM 0 HB ILE A 33 9.001 22.482 -3.040 1.00 20.33 H new ATOM 0 HG12 ILE A 33 9.749 21.647 -5.595 1.00 71.53 H new ATOM 0 HG13 ILE A 33 8.016 21.872 -5.733 1.00 71.53 H new ATOM 0 HG21 ILE A 33 10.651 20.749 -3.626 1.00 63.42 H new ATOM 0 HG22 ILE A 33 9.504 20.174 -2.393 1.00 63.42 H new ATOM 0 HG23 ILE A 33 9.329 19.650 -4.084 1.00 63.42 H new ATOM 0 HD11 ILE A 33 9.215 23.922 -6.316 1.00 51.11 H new ATOM 0 HD12 ILE A 33 8.230 24.169 -4.854 1.00 51.11 H new ATOM 0 HD13 ILE A 33 9.989 23.940 -4.714 1.00 51.11 H new ATOM 495 N ASP A 34 6.648 20.425 -1.270 1.00 23.44 N ATOM 496 CA ASP A 34 6.341 20.486 0.155 1.00 72.14 C ATOM 497 C ASP A 34 7.570 20.146 0.991 1.00 4.01 C ATOM 498 O ASP A 34 7.843 18.977 1.267 1.00 13.52 O ATOM 499 CB ASP A 34 5.198 19.528 0.493 1.00 73.20 C ATOM 500 CG ASP A 34 4.246 19.328 -0.670 1.00 51.41 C ATOM 501 OD1 ASP A 34 4.067 20.279 -1.460 1.00 70.15 O ATOM 502 OD2 ASP A 34 3.681 18.222 -0.791 1.00 34.45 O ATOM 0 H ASP A 34 6.620 19.486 -1.668 1.00 23.44 H new ATOM 0 HA ASP A 34 6.034 21.505 0.392 1.00 72.14 H new ATOM 0 HB2 ASP A 34 5.612 18.564 0.790 1.00 73.20 H new ATOM 0 HB3 ASP A 34 4.645 19.915 1.349 1.00 73.20 H new ATOM 507 N PHE A 35 8.311 21.175 1.391 1.00 74.21 N ATOM 508 CA PHE A 35 9.513 20.985 2.194 1.00 12.22 C ATOM 509 C PHE A 35 9.169 20.382 3.553 1.00 4.32 C ATOM 510 O PHE A 35 8.066 19.877 3.761 1.00 54.11 O ATOM 511 CB PHE A 35 10.240 22.318 2.384 1.00 64.31 C ATOM 512 CG PHE A 35 11.030 22.746 1.180 1.00 3.23 C ATOM 513 CD1 PHE A 35 12.098 21.986 0.729 1.00 15.33 C ATOM 514 CD2 PHE A 35 10.705 23.908 0.500 1.00 42.43 C ATOM 515 CE1 PHE A 35 12.826 22.379 -0.377 1.00 63.25 C ATOM 516 CE2 PHE A 35 11.430 24.306 -0.608 1.00 62.31 C ATOM 517 CZ PHE A 35 12.492 23.539 -1.048 1.00 15.23 C ATOM 0 H PHE A 35 8.100 22.149 1.172 1.00 74.21 H new ATOM 0 HA PHE A 35 10.169 20.293 1.665 1.00 12.22 H new ATOM 0 HB2 PHE A 35 9.509 23.091 2.623 1.00 64.31 H new ATOM 0 HB3 PHE A 35 10.911 22.238 3.239 1.00 64.31 H new ATOM 0 HD1 PHE A 35 12.364 21.077 1.248 1.00 15.33 H new ATOM 0 HD2 PHE A 35 9.875 24.510 0.839 1.00 42.43 H new ATOM 0 HE1 PHE A 35 13.657 21.779 -0.717 1.00 63.25 H new ATOM 0 HE2 PHE A 35 11.167 25.215 -1.129 1.00 62.31 H new ATOM 0 HZ PHE A 35 13.059 23.846 -1.914 1.00 15.23 H new ATOM 527 N THR A 36 10.124 20.438 4.477 1.00 13.52 N ATOM 528 CA THR A 36 9.924 19.897 5.816 1.00 45.34 C ATOM 529 C THR A 36 11.258 19.612 6.498 1.00 53.45 C ATOM 530 O THR A 36 12.184 19.091 5.877 1.00 11.13 O ATOM 531 CB THR A 36 9.092 18.602 5.780 1.00 61.35 C ATOM 532 OG1 THR A 36 9.272 17.869 6.997 1.00 45.42 O ATOM 533 CG2 THR A 36 9.492 17.734 4.596 1.00 44.12 C ATOM 0 H THR A 36 11.043 20.852 4.322 1.00 13.52 H new ATOM 0 HA THR A 36 9.382 20.652 6.385 1.00 45.34 H new ATOM 0 HB THR A 36 8.042 18.875 5.673 1.00 61.35 H new ATOM 0 HG1 THR A 36 8.738 17.048 6.966 1.00 45.42 H new ATOM 0 HG21 THR A 36 8.891 16.825 4.592 1.00 44.12 H new ATOM 0 HG22 THR A 36 9.326 18.283 3.669 1.00 44.12 H new ATOM 0 HG23 THR A 36 10.547 17.471 4.678 1.00 44.12 H new ATOM 629 N ARG A 44 -0.272 14.374 9.084 1.00 64.20 N ATOM 630 CA ARG A 44 -1.288 13.422 9.516 1.00 70.24 C ATOM 631 C ARG A 44 -2.688 13.999 9.327 1.00 31.42 C ATOM 632 O ARG A 44 -3.532 13.402 8.658 1.00 42.12 O ATOM 633 CB ARG A 44 -1.073 13.044 10.982 1.00 15.24 C ATOM 634 CG ARG A 44 -0.094 11.899 11.179 1.00 33.45 C ATOM 635 CD ARG A 44 -0.489 11.026 12.360 1.00 24.45 C ATOM 636 NE ARG A 44 0.073 11.517 13.616 1.00 65.52 N ATOM 637 CZ ARG A 44 1.362 11.429 13.928 1.00 14.22 C ATOM 638 NH1 ARG A 44 2.216 10.873 13.081 1.00 44.12 N ATOM 639 NH2 ARG A 44 1.797 11.899 15.090 1.00 2.11 N ATOM 0 HA ARG A 44 -1.197 12.527 8.901 1.00 70.24 H new ATOM 0 HB2 ARG A 44 -0.711 13.918 11.524 1.00 15.24 H new ATOM 0 HB3 ARG A 44 -2.032 12.771 11.422 1.00 15.24 H new ATOM 0 HG2 ARG A 44 -0.054 11.293 10.274 1.00 33.45 H new ATOM 0 HG3 ARG A 44 0.907 12.298 11.339 1.00 33.45 H new ATOM 0 HD2 ARG A 44 -1.576 10.992 12.438 1.00 24.45 H new ATOM 0 HD3 ARG A 44 -0.150 10.005 12.186 1.00 24.45 H new ATOM 0 HE ARG A 44 -0.558 11.951 14.290 1.00 65.52 H new ATOM 0 HH11 ARG A 44 1.885 10.511 12.187 1.00 44.12 H new ATOM 0 HH12 ARG A 44 3.205 10.807 13.323 1.00 44.12 H new ATOM 0 HH21 ARG A 44 1.142 12.328 15.744 1.00 2.11 H new ATOM 0 HH22 ARG A 44 2.786 11.831 15.329 1.00 2.11 H new ATOM 653 N PHE A 45 -2.928 15.162 9.923 1.00 50.35 N ATOM 654 CA PHE A 45 -4.226 15.819 9.822 1.00 50.22 C ATOM 655 C PHE A 45 -4.500 16.266 8.389 1.00 43.03 C ATOM 656 O PHE A 45 -5.610 16.110 7.880 1.00 14.23 O ATOM 657 CB PHE A 45 -4.286 17.023 10.764 1.00 53.52 C ATOM 658 CG PHE A 45 -5.490 17.895 10.546 1.00 10.02 C ATOM 659 CD1 PHE A 45 -6.672 17.650 11.227 1.00 63.52 C ATOM 660 CD2 PHE A 45 -5.440 18.960 9.661 1.00 71.53 C ATOM 661 CE1 PHE A 45 -7.781 18.450 11.029 1.00 32.23 C ATOM 662 CE2 PHE A 45 -6.546 19.763 9.459 1.00 11.44 C ATOM 663 CZ PHE A 45 -7.718 19.508 10.144 1.00 74.45 C ATOM 0 H PHE A 45 -2.241 15.669 10.481 1.00 50.35 H new ATOM 0 HA PHE A 45 -4.992 15.100 10.112 1.00 50.22 H new ATOM 0 HB2 PHE A 45 -4.286 16.668 11.795 1.00 53.52 H new ATOM 0 HB3 PHE A 45 -3.385 17.622 10.633 1.00 53.52 H new ATOM 0 HD1 PHE A 45 -6.727 16.824 11.921 1.00 63.52 H new ATOM 0 HD2 PHE A 45 -4.526 19.165 9.123 1.00 71.53 H new ATOM 0 HE1 PHE A 45 -8.696 18.248 11.566 1.00 32.23 H new ATOM 0 HE2 PHE A 45 -6.494 20.590 8.766 1.00 11.44 H new ATOM 0 HZ PHE A 45 -8.583 20.135 9.988 1.00 74.45 H new ATOM 673 N ILE A 46 -3.480 16.822 7.744 1.00 41.32 N ATOM 674 CA ILE A 46 -3.610 17.291 6.370 1.00 42.21 C ATOM 675 C ILE A 46 -2.966 16.314 5.392 1.00 32.22 C ATOM 676 O ILE A 46 -2.807 16.617 4.210 1.00 21.12 O ATOM 677 CB ILE A 46 -2.970 18.680 6.186 1.00 22.11 C ATOM 678 CG1 ILE A 46 -3.642 19.427 5.032 1.00 33.14 C ATOM 679 CG2 ILE A 46 -1.475 18.545 5.937 1.00 0.53 C ATOM 680 CD1 ILE A 46 -3.678 20.927 5.223 1.00 45.12 C ATOM 0 H ILE A 46 -2.555 16.959 8.151 1.00 41.32 H new ATOM 0 HA ILE A 46 -4.677 17.361 6.161 1.00 42.21 H new ATOM 0 HB ILE A 46 -3.116 19.255 7.100 1.00 22.11 H new ATOM 0 HG12 ILE A 46 -3.114 19.199 4.106 1.00 33.14 H new ATOM 0 HG13 ILE A 46 -4.661 19.059 4.916 1.00 33.14 H new ATOM 0 HG21 ILE A 46 -1.037 19.535 5.809 1.00 0.53 H new ATOM 0 HG22 ILE A 46 -1.008 18.049 6.788 1.00 0.53 H new ATOM 0 HG23 ILE A 46 -1.308 17.955 5.036 1.00 0.53 H new ATOM 0 HD11 ILE A 46 -4.168 21.391 4.367 1.00 45.12 H new ATOM 0 HD12 ILE A 46 -4.232 21.165 6.131 1.00 45.12 H new ATOM 0 HD13 ILE A 46 -2.660 21.307 5.308 1.00 45.12 H new ATOM 692 N ALA A 47 -2.600 15.139 5.894 1.00 63.13 N ATOM 693 CA ALA A 47 -1.977 14.115 5.064 1.00 71.10 C ATOM 694 C ALA A 47 -2.864 13.756 3.876 1.00 10.54 C ATOM 695 O ALA A 47 -2.446 13.812 2.720 1.00 70.53 O ATOM 696 CB ALA A 47 -1.676 12.875 5.893 1.00 5.30 C ATOM 0 H ALA A 47 -2.724 14.873 6.871 1.00 63.13 H new ATOM 0 HA ALA A 47 -1.041 14.517 4.677 1.00 71.10 H new ATOM 0 HB1 ALA A 47 -1.211 12.119 5.261 1.00 5.30 H new ATOM 0 HB2 ALA A 47 -0.997 13.136 6.705 1.00 5.30 H new ATOM 0 HB3 ALA A 47 -2.604 12.481 6.308 1.00 5.30 H new ATOM 702 N PRO A 48 -4.118 13.379 4.166 1.00 52.40 N ATOM 703 CA PRO A 48 -5.090 13.004 3.135 1.00 51.23 C ATOM 704 C PRO A 48 -5.538 14.198 2.298 1.00 2.03 C ATOM 705 O PRO A 48 -6.435 14.083 1.464 1.00 75.53 O ATOM 706 CB PRO A 48 -6.265 12.446 3.941 1.00 32.41 C ATOM 707 CG PRO A 48 -6.155 13.101 5.274 1.00 12.04 C ATOM 708 CD PRO A 48 -4.684 13.291 5.523 1.00 73.25 C ATOM 0 HA PRO A 48 -4.672 12.296 2.419 1.00 51.23 H new ATOM 0 HB2 PRO A 48 -7.217 12.677 3.464 1.00 32.41 H new ATOM 0 HB3 PRO A 48 -6.206 11.361 4.027 1.00 32.41 H new ATOM 0 HG2 PRO A 48 -6.679 14.057 5.283 1.00 12.04 H new ATOM 0 HG3 PRO A 48 -6.605 12.483 6.051 1.00 12.04 H new ATOM 0 HD2 PRO A 48 -4.487 14.195 6.100 1.00 73.25 H new ATOM 0 HD3 PRO A 48 -4.260 12.457 6.082 1.00 73.25 H new ATOM 716 N VAL A 49 -4.906 15.345 2.527 1.00 52.11 N ATOM 717 CA VAL A 49 -5.239 16.560 1.793 1.00 44.31 C ATOM 718 C VAL A 49 -4.215 16.838 0.698 1.00 51.23 C ATOM 719 O VAL A 49 -4.574 17.113 -0.447 1.00 53.23 O ATOM 720 CB VAL A 49 -5.314 17.780 2.731 1.00 32.40 C ATOM 721 CG1 VAL A 49 -5.153 19.071 1.943 1.00 74.41 C ATOM 722 CG2 VAL A 49 -6.625 17.777 3.503 1.00 22.44 C ATOM 0 H VAL A 49 -4.161 15.458 3.215 1.00 52.11 H new ATOM 0 HA VAL A 49 -6.217 16.398 1.340 1.00 44.31 H new ATOM 0 HB VAL A 49 -4.495 17.716 3.448 1.00 32.40 H new ATOM 0 HG11 VAL A 49 -5.209 19.921 2.623 1.00 74.41 H new ATOM 0 HG12 VAL A 49 -4.186 19.072 1.439 1.00 74.41 H new ATOM 0 HG13 VAL A 49 -5.948 19.146 1.202 1.00 74.41 H new ATOM 0 HG21 VAL A 49 -6.662 18.645 4.161 1.00 22.44 H new ATOM 0 HG22 VAL A 49 -7.460 17.816 2.803 1.00 22.44 H new ATOM 0 HG23 VAL A 49 -6.694 16.867 4.099 1.00 22.44 H new ATOM 732 N PHE A 50 -2.938 16.764 1.057 1.00 43.23 N ATOM 733 CA PHE A 50 -1.861 17.008 0.104 1.00 4.25 C ATOM 734 C PHE A 50 -1.881 15.974 -1.017 1.00 32.51 C ATOM 735 O PHE A 50 -2.189 16.293 -2.165 1.00 32.33 O ATOM 736 CB PHE A 50 -0.506 16.979 0.816 1.00 52.23 C ATOM 737 CG PHE A 50 -0.376 18.011 1.900 1.00 72.42 C ATOM 738 CD1 PHE A 50 -1.315 19.021 2.029 1.00 51.43 C ATOM 739 CD2 PHE A 50 0.685 17.969 2.790 1.00 15.12 C ATOM 740 CE1 PHE A 50 -1.197 19.972 3.025 1.00 53.11 C ATOM 741 CE2 PHE A 50 0.807 18.917 3.789 1.00 64.12 C ATOM 742 CZ PHE A 50 -0.135 19.919 3.907 1.00 55.12 C ATOM 0 H PHE A 50 -2.623 16.537 2.000 1.00 43.23 H new ATOM 0 HA PHE A 50 -2.014 17.995 -0.334 1.00 4.25 H new ATOM 0 HB2 PHE A 50 -0.352 15.990 1.247 1.00 52.23 H new ATOM 0 HB3 PHE A 50 0.285 17.133 0.082 1.00 52.23 H new ATOM 0 HD1 PHE A 50 -2.149 19.066 1.344 1.00 51.43 H new ATOM 0 HD2 PHE A 50 1.425 17.187 2.702 1.00 15.12 H new ATOM 0 HE1 PHE A 50 -1.934 20.756 3.114 1.00 53.11 H new ATOM 0 HE2 PHE A 50 1.639 18.874 4.477 1.00 64.12 H new ATOM 0 HZ PHE A 50 -0.042 20.660 4.687 1.00 55.12 H new ATOM 752 N ALA A 51 -1.550 14.733 -0.675 1.00 33.41 N ATOM 753 CA ALA A 51 -1.532 13.650 -1.651 1.00 41.42 C ATOM 754 C ALA A 51 -2.821 13.624 -2.466 1.00 22.24 C ATOM 755 O ALA A 51 -2.788 13.531 -3.692 1.00 73.31 O ATOM 756 CB ALA A 51 -1.318 12.315 -0.955 1.00 22.25 C ATOM 0 H ALA A 51 -1.291 14.453 0.271 1.00 33.41 H new ATOM 0 HA ALA A 51 -0.703 13.826 -2.337 1.00 41.42 H new ATOM 0 HB1 ALA A 51 -1.307 11.516 -1.696 1.00 22.25 H new ATOM 0 HB2 ALA A 51 -0.367 12.330 -0.423 1.00 22.25 H new ATOM 0 HB3 ALA A 51 -2.127 12.141 -0.246 1.00 22.25 H new ATOM 762 N GLU A 52 -3.954 13.705 -1.775 1.00 2.31 N ATOM 763 CA GLU A 52 -5.253 13.689 -2.436 1.00 34.22 C ATOM 764 C GLU A 52 -5.419 14.906 -3.341 1.00 12.33 C ATOM 765 O GLU A 52 -6.086 14.839 -4.374 1.00 4.42 O ATOM 766 CB GLU A 52 -6.378 13.654 -1.398 1.00 64.13 C ATOM 767 CG GLU A 52 -6.962 15.022 -1.088 1.00 23.24 C ATOM 768 CD GLU A 52 -8.169 14.946 -0.174 1.00 13.54 C ATOM 769 OE1 GLU A 52 -9.058 14.109 -0.434 1.00 33.31 O ATOM 770 OE2 GLU A 52 -8.226 15.725 0.801 1.00 23.32 O ATOM 0 H GLU A 52 -3.998 13.782 -0.759 1.00 2.31 H new ATOM 0 HA GLU A 52 -5.307 12.791 -3.051 1.00 34.22 H new ATOM 0 HB2 GLU A 52 -7.173 13.002 -1.758 1.00 64.13 H new ATOM 0 HB3 GLU A 52 -5.997 13.213 -0.477 1.00 64.13 H new ATOM 0 HG2 GLU A 52 -6.197 15.643 -0.622 1.00 23.24 H new ATOM 0 HG3 GLU A 52 -7.246 15.511 -2.020 1.00 23.24 H new ATOM 777 N TYR A 53 -4.809 16.018 -2.945 1.00 22.44 N ATOM 778 CA TYR A 53 -4.891 17.251 -3.717 1.00 44.43 C ATOM 779 C TYR A 53 -4.053 17.155 -4.989 1.00 21.44 C ATOM 780 O TYR A 53 -4.493 17.551 -6.067 1.00 53.12 O ATOM 781 CB TYR A 53 -4.422 18.438 -2.874 1.00 10.24 C ATOM 782 CG TYR A 53 -5.495 18.998 -1.967 1.00 60.12 C ATOM 783 CD1 TYR A 53 -6.696 18.324 -1.781 1.00 62.21 C ATOM 784 CD2 TYR A 53 -5.309 20.201 -1.298 1.00 23.14 C ATOM 785 CE1 TYR A 53 -7.679 18.832 -0.955 1.00 34.45 C ATOM 786 CE2 TYR A 53 -6.286 20.715 -0.468 1.00 11.40 C ATOM 787 CZ TYR A 53 -7.470 20.027 -0.300 1.00 4.32 C ATOM 788 OH TYR A 53 -8.446 20.537 0.525 1.00 52.23 O ATOM 0 H TYR A 53 -4.252 16.090 -2.093 1.00 22.44 H new ATOM 0 HA TYR A 53 -5.933 17.403 -4.000 1.00 44.43 H new ATOM 0 HB2 TYR A 53 -3.571 18.129 -2.268 1.00 10.24 H new ATOM 0 HB3 TYR A 53 -4.070 19.228 -3.538 1.00 10.24 H new ATOM 0 HD1 TYR A 53 -6.863 17.387 -2.291 1.00 62.21 H new ATOM 0 HD2 TYR A 53 -4.385 20.744 -1.429 1.00 23.14 H new ATOM 0 HE1 TYR A 53 -8.607 18.296 -0.823 1.00 34.45 H new ATOM 0 HE2 TYR A 53 -6.124 21.651 0.047 1.00 11.40 H new ATOM 0 HH TYR A 53 -8.139 21.384 0.910 1.00 52.23 H new ATOM 798 N ALA A 54 -2.842 16.624 -4.853 1.00 32.44 N ATOM 799 CA ALA A 54 -1.943 16.471 -5.989 1.00 43.34 C ATOM 800 C ALA A 54 -2.691 15.965 -7.218 1.00 32.33 C ATOM 801 O ALA A 54 -2.474 16.443 -8.331 1.00 63.43 O ATOM 802 CB ALA A 54 -0.802 15.528 -5.637 1.00 74.54 C ATOM 0 H ALA A 54 -2.461 16.293 -3.967 1.00 32.44 H new ATOM 0 HA ALA A 54 -1.529 17.451 -6.227 1.00 43.34 H new ATOM 0 HB1 ALA A 54 -0.138 15.423 -6.495 1.00 74.54 H new ATOM 0 HB2 ALA A 54 -0.243 15.932 -4.793 1.00 74.54 H new ATOM 0 HB3 ALA A 54 -1.206 14.552 -5.370 1.00 74.54 H new ATOM 808 N LYS A 55 -3.574 14.994 -7.008 1.00 64.42 N ATOM 809 CA LYS A 55 -4.355 14.422 -8.098 1.00 35.52 C ATOM 810 C LYS A 55 -5.511 15.341 -8.479 1.00 74.11 C ATOM 811 O LYS A 55 -5.802 15.533 -9.660 1.00 34.21 O ATOM 812 CB LYS A 55 -4.894 13.046 -7.699 1.00 33.12 C ATOM 813 CG LYS A 55 -3.844 12.136 -7.086 1.00 60.42 C ATOM 814 CD LYS A 55 -4.479 11.014 -6.281 1.00 50.21 C ATOM 815 CE LYS A 55 -5.389 10.155 -7.145 1.00 33.53 C ATOM 816 NZ LYS A 55 -4.623 9.140 -7.919 1.00 63.43 N ATOM 0 H LYS A 55 -3.766 14.587 -6.093 1.00 64.42 H new ATOM 0 HA LYS A 55 -3.700 14.313 -8.963 1.00 35.52 H new ATOM 0 HB2 LYS A 55 -5.709 13.177 -6.988 1.00 33.12 H new ATOM 0 HB3 LYS A 55 -5.314 12.560 -8.580 1.00 33.12 H new ATOM 0 HG2 LYS A 55 -3.223 11.712 -7.875 1.00 60.42 H new ATOM 0 HG3 LYS A 55 -3.186 12.720 -6.442 1.00 60.42 H new ATOM 0 HD2 LYS A 55 -3.698 10.392 -5.843 1.00 50.21 H new ATOM 0 HD3 LYS A 55 -5.052 11.436 -5.455 1.00 50.21 H new ATOM 0 HE2 LYS A 55 -6.122 9.653 -6.513 1.00 33.53 H new ATOM 0 HE3 LYS A 55 -5.945 10.793 -7.833 1.00 33.53 H new ATOM 0 HZ1 LYS A 55 -5.279 8.575 -8.495 1.00 63.43 H new ATOM 0 HZ2 LYS A 55 -3.941 9.620 -8.541 1.00 63.43 H new ATOM 0 HZ3 LYS A 55 -4.113 8.515 -7.262 1.00 63.43 H new ATOM 830 N LYS A 56 -6.167 15.908 -7.472 1.00 42.52 N ATOM 831 CA LYS A 56 -7.289 16.810 -7.701 1.00 14.40 C ATOM 832 C LYS A 56 -6.888 17.954 -8.627 1.00 14.20 C ATOM 833 O LYS A 56 -7.721 18.504 -9.348 1.00 75.51 O ATOM 834 CB LYS A 56 -7.799 17.371 -6.371 1.00 42.14 C ATOM 835 CG LYS A 56 -8.336 16.308 -5.429 1.00 15.20 C ATOM 836 CD LYS A 56 -9.767 16.605 -5.011 1.00 42.31 C ATOM 837 CE LYS A 56 -9.895 17.997 -4.412 1.00 3.42 C ATOM 838 NZ LYS A 56 -11.072 18.106 -3.507 1.00 32.33 N ATOM 0 H LYS A 56 -5.940 15.758 -6.489 1.00 42.52 H new ATOM 0 HA LYS A 56 -8.087 16.242 -8.179 1.00 14.40 H new ATOM 0 HB2 LYS A 56 -6.988 17.906 -5.877 1.00 42.14 H new ATOM 0 HB3 LYS A 56 -8.586 18.098 -6.571 1.00 42.14 H new ATOM 0 HG2 LYS A 56 -8.293 15.334 -5.916 1.00 15.20 H new ATOM 0 HG3 LYS A 56 -7.702 16.251 -4.544 1.00 15.20 H new ATOM 0 HD2 LYS A 56 -10.425 16.518 -5.875 1.00 42.31 H new ATOM 0 HD3 LYS A 56 -10.096 15.863 -4.284 1.00 42.31 H new ATOM 0 HE2 LYS A 56 -8.988 18.239 -3.858 1.00 3.42 H new ATOM 0 HE3 LYS A 56 -9.984 18.730 -5.214 1.00 3.42 H new ATOM 0 HZ1 LYS A 56 -11.124 19.070 -3.119 1.00 32.33 H new ATOM 0 HZ2 LYS A 56 -11.941 17.900 -4.041 1.00 32.33 H new ATOM 0 HZ3 LYS A 56 -10.975 17.424 -2.728 1.00 32.33 H new ATOM 852 N PHE A 57 -5.608 18.308 -8.603 1.00 65.51 N ATOM 853 CA PHE A 57 -5.096 19.386 -9.441 1.00 72.11 C ATOM 854 C PHE A 57 -4.134 18.846 -10.495 1.00 73.14 C ATOM 855 O PHE A 57 -2.921 18.787 -10.293 1.00 73.44 O ATOM 856 CB PHE A 57 -4.391 20.437 -8.582 1.00 1.41 C ATOM 857 CG PHE A 57 -5.310 21.512 -8.075 1.00 20.33 C ATOM 858 CD1 PHE A 57 -5.591 22.625 -8.851 1.00 25.14 C ATOM 859 CD2 PHE A 57 -5.894 21.408 -6.822 1.00 42.15 C ATOM 860 CE1 PHE A 57 -6.435 23.615 -8.386 1.00 12.12 C ATOM 861 CE2 PHE A 57 -6.740 22.395 -6.353 1.00 2.04 C ATOM 862 CZ PHE A 57 -7.012 23.500 -7.136 1.00 25.51 C ATOM 0 H PHE A 57 -4.905 17.864 -8.012 1.00 65.51 H new ATOM 0 HA PHE A 57 -5.941 19.850 -9.950 1.00 72.11 H new ATOM 0 HB2 PHE A 57 -3.919 19.943 -7.733 1.00 1.41 H new ATOM 0 HB3 PHE A 57 -3.594 20.897 -9.166 1.00 1.41 H new ATOM 0 HD1 PHE A 57 -5.145 22.720 -9.830 1.00 25.14 H new ATOM 0 HD2 PHE A 57 -5.686 20.546 -6.206 1.00 42.15 H new ATOM 0 HE1 PHE A 57 -6.644 24.479 -9.000 1.00 12.12 H new ATOM 0 HE2 PHE A 57 -7.188 22.302 -5.375 1.00 2.04 H new ATOM 0 HZ PHE A 57 -7.674 24.272 -6.772 1.00 25.51 H new ATOM 872 N PRO A 58 -4.688 18.442 -11.649 1.00 25.34 N ATOM 873 CA PRO A 58 -3.898 17.899 -12.758 1.00 42.31 C ATOM 874 C PRO A 58 -3.036 18.963 -13.431 1.00 32.44 C ATOM 875 O PRO A 58 -2.255 18.663 -14.333 1.00 14.31 O ATOM 876 CB PRO A 58 -4.961 17.380 -13.729 1.00 62.52 C ATOM 877 CG PRO A 58 -6.174 18.191 -13.432 1.00 52.25 C ATOM 878 CD PRO A 58 -6.127 18.484 -11.958 1.00 65.33 C ATOM 0 HA PRO A 58 -3.197 17.135 -12.423 1.00 42.31 H new ATOM 0 HB2 PRO A 58 -4.645 17.505 -14.765 1.00 62.52 H new ATOM 0 HB3 PRO A 58 -5.149 16.317 -13.579 1.00 62.52 H new ATOM 0 HG2 PRO A 58 -6.178 19.113 -14.013 1.00 52.25 H new ATOM 0 HG3 PRO A 58 -7.081 17.646 -13.693 1.00 52.25 H new ATOM 0 HD2 PRO A 58 -6.559 19.458 -11.728 1.00 65.33 H new ATOM 0 HD3 PRO A 58 -6.684 17.744 -11.383 1.00 65.33 H new ATOM 886 N GLY A 59 -3.183 20.207 -12.984 1.00 74.54 N ATOM 887 CA GLY A 59 -2.412 21.295 -13.555 1.00 3.34 C ATOM 888 C GLY A 59 -1.119 21.546 -12.803 1.00 34.31 C ATOM 889 O GLY A 59 -0.536 22.625 -12.901 1.00 22.43 O ATOM 0 H GLY A 59 -3.822 20.480 -12.237 1.00 74.54 H new ATOM 0 HA2 GLY A 59 -2.185 21.068 -14.597 1.00 3.34 H new ATOM 0 HA3 GLY A 59 -3.014 22.204 -13.551 1.00 3.34 H new ATOM 893 N ALA A 60 -0.672 20.547 -12.049 1.00 31.20 N ATOM 894 CA ALA A 60 0.559 20.664 -11.278 1.00 23.11 C ATOM 895 C ALA A 60 1.249 19.311 -11.137 1.00 2.35 C ATOM 896 O ALA A 60 0.645 18.267 -11.380 1.00 21.54 O ATOM 897 CB ALA A 60 0.269 21.256 -9.907 1.00 1.42 C ATOM 0 H ALA A 60 -1.144 19.648 -11.956 1.00 31.20 H new ATOM 0 HA ALA A 60 1.233 21.332 -11.815 1.00 23.11 H new ATOM 0 HB1 ALA A 60 1.198 21.338 -9.342 1.00 1.42 H new ATOM 0 HB2 ALA A 60 -0.173 22.246 -10.024 1.00 1.42 H new ATOM 0 HB3 ALA A 60 -0.426 20.610 -9.371 1.00 1.42 H new ATOM 903 N VAL A 61 2.518 19.338 -10.743 1.00 25.14 N ATOM 904 CA VAL A 61 3.291 18.113 -10.569 1.00 13.55 C ATOM 905 C VAL A 61 3.230 17.626 -9.125 1.00 71.14 C ATOM 906 O VAL A 61 3.177 16.423 -8.867 1.00 3.43 O ATOM 907 CB VAL A 61 4.764 18.318 -10.968 1.00 61.43 C ATOM 908 CG1 VAL A 61 4.877 18.621 -12.455 1.00 22.34 C ATOM 909 CG2 VAL A 61 5.391 19.429 -10.140 1.00 24.40 C ATOM 0 H VAL A 61 3.033 20.194 -10.538 1.00 25.14 H new ATOM 0 HA VAL A 61 2.847 17.362 -11.222 1.00 13.55 H new ATOM 0 HB VAL A 61 5.309 17.395 -10.767 1.00 61.43 H new ATOM 0 HG11 VAL A 61 5.925 18.763 -12.719 1.00 22.34 H new ATOM 0 HG12 VAL A 61 4.468 17.789 -13.028 1.00 22.34 H new ATOM 0 HG13 VAL A 61 4.319 19.529 -12.685 1.00 22.34 H new ATOM 0 HG21 VAL A 61 6.432 19.560 -10.436 1.00 24.40 H new ATOM 0 HG22 VAL A 61 4.847 20.359 -10.307 1.00 24.40 H new ATOM 0 HG23 VAL A 61 5.344 19.166 -9.083 1.00 24.40 H new ATOM 919 N PHE A 62 3.237 18.568 -8.188 1.00 21.43 N ATOM 920 CA PHE A 62 3.183 18.234 -6.769 1.00 42.31 C ATOM 921 C PHE A 62 4.359 17.345 -6.374 1.00 52.13 C ATOM 922 O PHE A 62 4.811 16.510 -7.159 1.00 3.05 O ATOM 923 CB PHE A 62 1.865 17.532 -6.438 1.00 55.31 C ATOM 924 CG PHE A 62 0.668 18.437 -6.516 1.00 30.20 C ATOM 925 CD1 PHE A 62 0.042 18.677 -7.729 1.00 21.43 C ATOM 926 CD2 PHE A 62 0.169 19.047 -5.377 1.00 33.25 C ATOM 927 CE1 PHE A 62 -1.059 19.509 -7.803 1.00 44.11 C ATOM 928 CE2 PHE A 62 -0.932 19.880 -5.445 1.00 10.03 C ATOM 929 CZ PHE A 62 -1.547 20.111 -6.660 1.00 30.54 C ATOM 0 H PHE A 62 3.279 19.568 -8.385 1.00 21.43 H new ATOM 0 HA PHE A 62 3.245 19.162 -6.201 1.00 42.31 H new ATOM 0 HB2 PHE A 62 1.725 16.697 -7.125 1.00 55.31 H new ATOM 0 HB3 PHE A 62 1.928 17.112 -5.434 1.00 55.31 H new ATOM 0 HD1 PHE A 62 0.419 18.209 -8.626 1.00 21.43 H new ATOM 0 HD2 PHE A 62 0.646 18.870 -4.424 1.00 33.25 H new ATOM 0 HE1 PHE A 62 -1.538 19.688 -8.754 1.00 44.11 H new ATOM 0 HE2 PHE A 62 -1.311 20.350 -4.549 1.00 10.03 H new ATOM 0 HZ PHE A 62 -2.408 20.761 -6.716 1.00 30.54 H new ATOM 939 N LEU A 63 4.849 17.531 -5.154 1.00 22.22 N ATOM 940 CA LEU A 63 5.973 16.747 -4.653 1.00 71.43 C ATOM 941 C LEU A 63 6.382 17.210 -3.259 1.00 22.11 C ATOM 942 O LEU A 63 6.286 18.393 -2.933 1.00 2.33 O ATOM 943 CB LEU A 63 7.162 16.856 -5.609 1.00 23.31 C ATOM 944 CG LEU A 63 8.543 16.640 -4.989 1.00 44.30 C ATOM 945 CD1 LEU A 63 9.132 15.314 -5.445 1.00 2.22 C ATOM 946 CD2 LEU A 63 9.474 17.790 -5.347 1.00 12.13 C ATOM 0 H LEU A 63 4.486 18.218 -4.493 1.00 22.22 H new ATOM 0 HA LEU A 63 5.659 15.705 -4.591 1.00 71.43 H new ATOM 0 HB2 LEU A 63 7.027 16.128 -6.409 1.00 23.31 H new ATOM 0 HB3 LEU A 63 7.143 17.844 -6.070 1.00 23.31 H new ATOM 0 HG LEU A 63 8.433 16.611 -3.905 1.00 44.30 H new ATOM 0 HD11 LEU A 63 10.115 15.178 -4.994 1.00 2.22 H new ATOM 0 HD12 LEU A 63 8.476 14.500 -5.138 1.00 2.22 H new ATOM 0 HD13 LEU A 63 9.228 15.313 -6.531 1.00 2.22 H new ATOM 0 HD21 LEU A 63 10.452 17.620 -4.897 1.00 12.13 H new ATOM 0 HD22 LEU A 63 9.578 17.850 -6.430 1.00 12.13 H new ATOM 0 HD23 LEU A 63 9.059 18.725 -4.970 1.00 12.13 H new ATOM 958 N LYS A 64 6.841 16.270 -2.440 1.00 21.23 N ATOM 959 CA LYS A 64 7.269 16.581 -1.081 1.00 21.31 C ATOM 960 C LYS A 64 8.705 16.124 -0.845 1.00 21.42 C ATOM 961 O LYS A 64 9.042 14.961 -1.070 1.00 1.12 O ATOM 962 CB LYS A 64 6.337 15.915 -0.066 1.00 23.02 C ATOM 963 CG LYS A 64 7.059 15.358 1.149 1.00 4.40 C ATOM 964 CD LYS A 64 7.231 13.852 1.054 1.00 64.32 C ATOM 965 CE LYS A 64 5.907 13.156 0.777 1.00 4.01 C ATOM 966 NZ LYS A 64 5.708 11.972 1.658 1.00 1.23 N ATOM 0 H LYS A 64 6.926 15.286 -2.694 1.00 21.23 H new ATOM 0 HA LYS A 64 7.225 17.662 -0.951 1.00 21.31 H new ATOM 0 HB2 LYS A 64 5.595 16.642 0.264 1.00 23.02 H new ATOM 0 HB3 LYS A 64 5.795 15.107 -0.558 1.00 23.02 H new ATOM 0 HG2 LYS A 64 8.036 15.832 1.241 1.00 4.40 H new ATOM 0 HG3 LYS A 64 6.499 15.605 2.051 1.00 4.40 H new ATOM 0 HD2 LYS A 64 7.941 13.615 0.261 1.00 64.32 H new ATOM 0 HD3 LYS A 64 7.654 13.474 1.984 1.00 64.32 H new ATOM 0 HE2 LYS A 64 5.088 13.860 0.925 1.00 4.01 H new ATOM 0 HE3 LYS A 64 5.873 12.842 -0.266 1.00 4.01 H new ATOM 0 HZ1 LYS A 64 4.795 11.525 1.438 1.00 1.23 H new ATOM 0 HZ2 LYS A 64 6.475 11.288 1.499 1.00 1.23 H new ATOM 0 HZ3 LYS A 64 5.715 12.275 2.653 1.00 1.23 H new ATOM 980 N VAL A 65 9.547 17.045 -0.389 1.00 4.33 N ATOM 981 CA VAL A 65 10.947 16.736 -0.119 1.00 75.14 C ATOM 982 C VAL A 65 11.301 17.016 1.337 1.00 40.44 C ATOM 983 O VAL A 65 10.492 17.559 2.090 1.00 60.52 O ATOM 984 CB VAL A 65 11.886 17.548 -1.031 1.00 22.34 C ATOM 985 CG1 VAL A 65 11.182 17.924 -2.325 1.00 73.53 C ATOM 986 CG2 VAL A 65 12.388 18.788 -0.308 1.00 1.44 C ATOM 0 H VAL A 65 9.285 18.012 -0.198 1.00 4.33 H new ATOM 0 HA VAL A 65 11.083 15.674 -0.324 1.00 75.14 H new ATOM 0 HB VAL A 65 12.746 16.927 -1.282 1.00 22.34 H new ATOM 0 HG11 VAL A 65 11.862 18.497 -2.956 1.00 73.53 H new ATOM 0 HG12 VAL A 65 10.877 17.019 -2.850 1.00 73.53 H new ATOM 0 HG13 VAL A 65 10.302 18.526 -2.099 1.00 73.53 H new ATOM 0 HG21 VAL A 65 13.050 19.350 -0.967 1.00 1.44 H new ATOM 0 HG22 VAL A 65 11.541 19.413 -0.026 1.00 1.44 H new ATOM 0 HG23 VAL A 65 12.934 18.491 0.588 1.00 1.44 H new ATOM 996 N ASP A 66 12.515 16.644 1.726 1.00 2.12 N ATOM 997 CA ASP A 66 12.979 16.857 3.092 1.00 35.05 C ATOM 998 C ASP A 66 14.203 17.766 3.116 1.00 65.25 C ATOM 999 O ASP A 66 15.230 17.457 2.511 1.00 63.22 O ATOM 1000 CB ASP A 66 13.308 15.519 3.756 1.00 22.01 C ATOM 1001 CG ASP A 66 13.455 15.639 5.260 1.00 2.42 C ATOM 1002 OD1 ASP A 66 12.502 16.113 5.914 1.00 71.31 O ATOM 1003 OD2 ASP A 66 14.523 15.260 5.784 1.00 62.42 O ATOM 0 H ASP A 66 13.196 16.193 1.115 1.00 2.12 H new ATOM 0 HA ASP A 66 12.178 17.343 3.649 1.00 35.05 H new ATOM 0 HB2 ASP A 66 12.521 14.800 3.527 1.00 22.01 H new ATOM 0 HB3 ASP A 66 14.232 15.125 3.334 1.00 22.01 H new ATOM 1008 N VAL A 67 14.088 18.889 3.817 1.00 54.22 N ATOM 1009 CA VAL A 67 15.185 19.843 3.919 1.00 42.42 C ATOM 1010 C VAL A 67 16.174 19.429 5.002 1.00 5.33 C ATOM 1011 O VAL A 67 16.806 20.275 5.636 1.00 22.45 O ATOM 1012 CB VAL A 67 14.669 21.262 4.225 1.00 21.12 C ATOM 1013 CG1 VAL A 67 13.647 21.695 3.185 1.00 30.41 C ATOM 1014 CG2 VAL A 67 14.076 21.322 5.625 1.00 70.23 C ATOM 0 H VAL A 67 13.245 19.160 4.323 1.00 54.22 H new ATOM 0 HA VAL A 67 15.690 19.849 2.953 1.00 42.42 H new ATOM 0 HB VAL A 67 15.511 21.953 4.181 1.00 21.12 H new ATOM 0 HG11 VAL A 67 13.294 22.700 3.418 1.00 30.41 H new ATOM 0 HG12 VAL A 67 14.109 21.693 2.198 1.00 30.41 H new ATOM 0 HG13 VAL A 67 12.804 21.004 3.193 1.00 30.41 H new ATOM 0 HG21 VAL A 67 13.716 22.331 5.825 1.00 70.23 H new ATOM 0 HG22 VAL A 67 13.246 20.620 5.699 1.00 70.23 H new ATOM 0 HG23 VAL A 67 14.841 21.058 6.356 1.00 70.23 H new ATOM 1024 N ASP A 68 16.304 18.124 5.209 1.00 24.41 N ATOM 1025 CA ASP A 68 17.219 17.596 6.215 1.00 14.04 C ATOM 1026 C ASP A 68 18.268 16.693 5.576 1.00 64.33 C ATOM 1027 O ASP A 68 19.347 16.488 6.132 1.00 15.23 O ATOM 1028 CB ASP A 68 16.444 16.822 7.283 1.00 20.02 C ATOM 1029 CG ASP A 68 17.015 17.023 8.673 1.00 44.31 C ATOM 1030 OD1 ASP A 68 17.312 18.182 9.030 1.00 50.52 O ATOM 1031 OD2 ASP A 68 17.167 16.022 9.403 1.00 31.54 O ATOM 0 H ASP A 68 15.787 17.411 4.694 1.00 24.41 H new ATOM 0 HA ASP A 68 17.728 18.438 6.684 1.00 14.04 H new ATOM 0 HB2 ASP A 68 15.401 17.139 7.272 1.00 20.02 H new ATOM 0 HB3 ASP A 68 16.456 15.760 7.038 1.00 20.02 H new ATOM 1036 N GLU A 69 17.944 16.154 4.404 1.00 0.33 N ATOM 1037 CA GLU A 69 18.859 15.271 3.691 1.00 40.33 C ATOM 1038 C GLU A 69 19.302 15.898 2.372 1.00 44.01 C ATOM 1039 O GLU A 69 20.458 15.765 1.965 1.00 35.23 O ATOM 1040 CB GLU A 69 18.195 13.918 3.427 1.00 24.01 C ATOM 1041 CG GLU A 69 17.111 13.969 2.364 1.00 33.43 C ATOM 1042 CD GLU A 69 16.568 12.596 2.018 1.00 22.54 C ATOM 1043 OE1 GLU A 69 17.310 11.801 1.404 1.00 42.44 O ATOM 1044 OE2 GLU A 69 15.401 12.315 2.363 1.00 10.43 O ATOM 0 H GLU A 69 17.055 16.314 3.929 1.00 0.33 H new ATOM 0 HA GLU A 69 19.739 15.120 4.316 1.00 40.33 H new ATOM 0 HB2 GLU A 69 18.958 13.202 3.122 1.00 24.01 H new ATOM 0 HB3 GLU A 69 17.763 13.547 4.357 1.00 24.01 H new ATOM 0 HG2 GLU A 69 16.294 14.601 2.713 1.00 33.43 H new ATOM 0 HG3 GLU A 69 17.512 14.435 1.464 1.00 33.43 H new ATOM 1051 N LEU A 70 18.377 16.581 1.708 1.00 52.22 N ATOM 1052 CA LEU A 70 18.671 17.229 0.434 1.00 33.01 C ATOM 1053 C LEU A 70 18.427 18.732 0.519 1.00 53.34 C ATOM 1054 O LEU A 70 18.208 19.395 -0.496 1.00 32.13 O ATOM 1055 CB LEU A 70 17.813 16.623 -0.678 1.00 41.34 C ATOM 1056 CG LEU A 70 16.396 17.182 -0.813 1.00 42.13 C ATOM 1057 CD1 LEU A 70 15.919 17.086 -2.254 1.00 44.02 C ATOM 1058 CD2 LEU A 70 15.442 16.447 0.116 1.00 20.44 C ATOM 0 H LEU A 70 17.417 16.701 2.030 1.00 52.22 H new ATOM 0 HA LEU A 70 19.723 17.063 0.204 1.00 33.01 H new ATOM 0 HB2 LEU A 70 18.330 16.765 -1.627 1.00 41.34 H new ATOM 0 HB3 LEU A 70 17.744 15.548 -0.511 1.00 41.34 H new ATOM 0 HG LEU A 70 16.412 18.234 -0.527 1.00 42.13 H new ATOM 0 HD11 LEU A 70 14.909 17.488 -2.330 1.00 44.02 H new ATOM 0 HD12 LEU A 70 16.587 17.658 -2.897 1.00 44.02 H new ATOM 0 HD13 LEU A 70 15.918 16.042 -2.568 1.00 44.02 H new ATOM 0 HD21 LEU A 70 14.438 16.858 0.006 1.00 20.44 H new ATOM 0 HD22 LEU A 70 15.430 15.387 -0.139 1.00 20.44 H new ATOM 0 HD23 LEU A 70 15.773 16.568 1.147 1.00 20.44 H new ATOM 1070 N LYS A 71 18.468 19.266 1.735 1.00 72.41 N ATOM 1071 CA LYS A 71 18.255 20.691 1.953 1.00 11.42 C ATOM 1072 C LYS A 71 18.747 21.504 0.760 1.00 41.11 C ATOM 1073 O LYS A 71 18.155 22.523 0.405 1.00 21.24 O ATOM 1074 CB LYS A 71 18.974 21.147 3.225 1.00 31.52 C ATOM 1075 CG LYS A 71 20.009 20.155 3.726 1.00 23.35 C ATOM 1076 CD LYS A 71 21.280 20.855 4.179 1.00 54.43 C ATOM 1077 CE LYS A 71 22.282 20.982 3.041 1.00 34.54 C ATOM 1078 NZ LYS A 71 23.642 20.534 3.449 1.00 43.31 N ATOM 0 H LYS A 71 18.647 18.732 2.585 1.00 72.41 H new ATOM 0 HA LYS A 71 17.184 20.859 2.068 1.00 11.42 H new ATOM 0 HB2 LYS A 71 19.462 22.103 3.034 1.00 31.52 H new ATOM 0 HB3 LYS A 71 18.236 21.317 4.009 1.00 31.52 H new ATOM 0 HG2 LYS A 71 19.593 19.582 4.555 1.00 23.35 H new ATOM 0 HG3 LYS A 71 20.246 19.445 2.934 1.00 23.35 H new ATOM 0 HD2 LYS A 71 21.035 21.846 4.561 1.00 54.43 H new ATOM 0 HD3 LYS A 71 21.730 20.298 5.001 1.00 54.43 H new ATOM 0 HE2 LYS A 71 21.944 20.389 2.191 1.00 34.54 H new ATOM 0 HE3 LYS A 71 22.325 22.019 2.709 1.00 34.54 H new ATOM 0 HZ1 LYS A 71 24.296 20.636 2.647 1.00 43.31 H new ATOM 0 HZ2 LYS A 71 23.975 21.116 4.244 1.00 43.31 H new ATOM 0 HZ3 LYS A 71 23.606 19.537 3.742 1.00 43.31 H new ATOM 1092 N GLU A 72 19.832 21.045 0.144 1.00 3.23 N ATOM 1093 CA GLU A 72 20.402 21.731 -1.010 1.00 23.43 C ATOM 1094 C GLU A 72 19.305 22.340 -1.878 1.00 32.44 C ATOM 1095 O GLU A 72 19.519 23.346 -2.554 1.00 63.40 O ATOM 1096 CB GLU A 72 21.246 20.762 -1.841 1.00 21.33 C ATOM 1097 CG GLU A 72 20.420 19.807 -2.686 1.00 64.24 C ATOM 1098 CD GLU A 72 21.099 18.465 -2.881 1.00 34.50 C ATOM 1099 OE1 GLU A 72 22.242 18.444 -3.382 1.00 21.11 O ATOM 1100 OE2 GLU A 72 20.485 17.434 -2.532 1.00 12.44 O ATOM 0 H GLU A 72 20.333 20.202 0.424 1.00 3.23 H new ATOM 0 HA GLU A 72 21.040 22.536 -0.644 1.00 23.43 H new ATOM 0 HB2 GLU A 72 21.905 21.335 -2.494 1.00 21.33 H new ATOM 0 HB3 GLU A 72 21.884 20.184 -1.173 1.00 21.33 H new ATOM 0 HG2 GLU A 72 19.450 19.654 -2.212 1.00 64.24 H new ATOM 0 HG3 GLU A 72 20.231 20.259 -3.660 1.00 64.24 H new ATOM 1107 N VAL A 73 18.128 21.722 -1.853 1.00 61.13 N ATOM 1108 CA VAL A 73 16.996 22.202 -2.637 1.00 1.34 C ATOM 1109 C VAL A 73 16.313 23.379 -1.950 1.00 15.31 C ATOM 1110 O VAL A 73 16.018 24.394 -2.581 1.00 71.43 O ATOM 1111 CB VAL A 73 15.961 21.086 -2.870 1.00 13.04 C ATOM 1112 CG1 VAL A 73 14.717 21.643 -3.546 1.00 4.42 C ATOM 1113 CG2 VAL A 73 16.567 19.961 -3.694 1.00 62.05 C ATOM 0 H VAL A 73 17.934 20.888 -1.298 1.00 61.13 H new ATOM 0 HA VAL A 73 17.392 22.526 -3.600 1.00 1.34 H new ATOM 0 HB VAL A 73 15.668 20.679 -1.902 1.00 13.04 H new ATOM 0 HG11 VAL A 73 13.997 20.840 -3.702 1.00 4.42 H new ATOM 0 HG12 VAL A 73 14.272 22.411 -2.913 1.00 4.42 H new ATOM 0 HG13 VAL A 73 14.989 22.078 -4.507 1.00 4.42 H new ATOM 0 HG21 VAL A 73 15.821 19.181 -3.849 1.00 62.05 H new ATOM 0 HG22 VAL A 73 16.891 20.351 -4.659 1.00 62.05 H new ATOM 0 HG23 VAL A 73 17.424 19.544 -3.165 1.00 62.05 H new ATOM 1123 N ALA A 74 16.063 23.237 -0.652 1.00 63.33 N ATOM 1124 CA ALA A 74 15.417 24.289 0.121 1.00 14.25 C ATOM 1125 C ALA A 74 16.301 25.529 0.209 1.00 73.42 C ATOM 1126 O ALA A 74 15.804 26.649 0.315 1.00 3.42 O ATOM 1127 CB ALA A 74 15.073 23.784 1.515 1.00 10.41 C ATOM 0 H ALA A 74 16.299 22.403 -0.114 1.00 63.33 H new ATOM 0 HA ALA A 74 14.496 24.568 -0.391 1.00 14.25 H new ATOM 0 HB1 ALA A 74 14.591 24.580 2.082 1.00 10.41 H new ATOM 0 HB2 ALA A 74 14.396 22.933 1.437 1.00 10.41 H new ATOM 0 HB3 ALA A 74 15.985 23.476 2.026 1.00 10.41 H new ATOM 1133 N GLU A 75 17.613 25.318 0.164 1.00 53.53 N ATOM 1134 CA GLU A 75 18.565 26.420 0.240 1.00 41.15 C ATOM 1135 C GLU A 75 18.466 27.311 -0.996 1.00 22.33 C ATOM 1136 O GLU A 75 18.866 28.475 -0.970 1.00 32.04 O ATOM 1137 CB GLU A 75 19.991 25.882 0.381 1.00 15.33 C ATOM 1138 CG GLU A 75 20.123 24.772 1.410 1.00 74.32 C ATOM 1139 CD GLU A 75 21.176 25.071 2.459 1.00 35.43 C ATOM 1140 OE1 GLU A 75 21.127 26.169 3.051 1.00 11.23 O ATOM 1141 OE2 GLU A 75 22.048 24.207 2.688 1.00 33.13 O ATOM 0 H GLU A 75 18.040 24.396 0.075 1.00 53.53 H new ATOM 0 HA GLU A 75 18.321 27.018 1.118 1.00 41.15 H new ATOM 0 HB2 GLU A 75 20.328 25.511 -0.587 1.00 15.33 H new ATOM 0 HB3 GLU A 75 20.654 26.702 0.656 1.00 15.33 H new ATOM 0 HG2 GLU A 75 19.161 24.619 1.899 1.00 74.32 H new ATOM 0 HG3 GLU A 75 20.374 23.840 0.903 1.00 74.32 H new ATOM 1148 N LYS A 76 17.932 26.755 -2.077 1.00 75.54 N ATOM 1149 CA LYS A 76 17.779 27.496 -3.323 1.00 55.24 C ATOM 1150 C LYS A 76 16.553 28.403 -3.270 1.00 21.10 C ATOM 1151 O LYS A 76 16.573 29.520 -3.787 1.00 13.35 O ATOM 1152 CB LYS A 76 17.660 26.530 -4.505 1.00 3.34 C ATOM 1153 CG LYS A 76 16.227 26.253 -4.923 1.00 14.15 C ATOM 1154 CD LYS A 76 16.122 24.979 -5.744 1.00 53.44 C ATOM 1155 CE LYS A 76 15.914 25.284 -7.220 1.00 34.30 C ATOM 1156 NZ LYS A 76 16.450 24.201 -8.091 1.00 11.24 N ATOM 0 H LYS A 76 17.597 25.792 -2.116 1.00 75.54 H new ATOM 0 HA LYS A 76 18.664 28.117 -3.457 1.00 55.24 H new ATOM 0 HB2 LYS A 76 18.204 26.941 -5.355 1.00 3.34 H new ATOM 0 HB3 LYS A 76 18.142 25.588 -4.243 1.00 3.34 H new ATOM 0 HG2 LYS A 76 15.598 26.168 -4.037 1.00 14.15 H new ATOM 0 HG3 LYS A 76 15.848 27.094 -5.504 1.00 14.15 H new ATOM 0 HD2 LYS A 76 17.029 24.387 -5.618 1.00 53.44 H new ATOM 0 HD3 LYS A 76 15.293 24.375 -5.376 1.00 53.44 H new ATOM 0 HE2 LYS A 76 14.850 25.416 -7.417 1.00 34.30 H new ATOM 0 HE3 LYS A 76 16.403 26.226 -7.469 1.00 34.30 H new ATOM 0 HZ1 LYS A 76 17.284 24.550 -8.606 1.00 11.24 H new ATOM 0 HZ2 LYS A 76 16.721 23.386 -7.505 1.00 11.24 H new ATOM 0 HZ3 LYS A 76 15.720 23.910 -8.772 1.00 11.24 H new ATOM 1170 N TYR A 77 15.489 27.915 -2.641 1.00 43.43 N ATOM 1171 CA TYR A 77 14.255 28.682 -2.521 1.00 73.22 C ATOM 1172 C TYR A 77 14.242 29.496 -1.231 1.00 20.31 C ATOM 1173 O TYR A 77 13.433 30.407 -1.067 1.00 55.52 O ATOM 1174 CB TYR A 77 13.044 27.748 -2.560 1.00 61.31 C ATOM 1175 CG TYR A 77 12.951 26.929 -3.828 1.00 3.20 C ATOM 1176 CD1 TYR A 77 13.413 27.432 -5.038 1.00 42.31 C ATOM 1177 CD2 TYR A 77 12.401 25.654 -3.816 1.00 71.43 C ATOM 1178 CE1 TYR A 77 13.330 26.688 -6.199 1.00 51.53 C ATOM 1179 CE2 TYR A 77 12.315 24.902 -4.972 1.00 51.12 C ATOM 1180 CZ TYR A 77 12.780 25.424 -6.161 1.00 65.11 C ATOM 1181 OH TYR A 77 12.695 24.679 -7.315 1.00 43.11 O ATOM 0 H TYR A 77 15.457 26.993 -2.207 1.00 43.43 H new ATOM 0 HA TYR A 77 14.202 29.371 -3.364 1.00 73.22 H new ATOM 0 HB2 TYR A 77 13.088 27.074 -1.705 1.00 61.31 H new ATOM 0 HB3 TYR A 77 12.135 28.340 -2.453 1.00 61.31 H new ATOM 0 HD1 TYR A 77 13.844 28.422 -5.071 1.00 42.31 H new ATOM 0 HD2 TYR A 77 12.034 25.243 -2.887 1.00 71.43 H new ATOM 0 HE1 TYR A 77 13.694 27.094 -7.131 1.00 51.53 H new ATOM 0 HE2 TYR A 77 11.886 23.911 -4.945 1.00 51.12 H new ATOM 0 HH TYR A 77 12.248 23.828 -7.123 1.00 43.11 H new ATOM 1191 N ASN A 78 15.147 29.159 -0.317 1.00 73.44 N ATOM 1192 CA ASN A 78 15.241 29.857 0.959 1.00 11.42 C ATOM 1193 C ASN A 78 13.949 29.709 1.757 1.00 11.20 C ATOM 1194 O ASN A 78 13.208 30.674 1.944 1.00 54.34 O ATOM 1195 CB ASN A 78 15.546 31.339 0.732 1.00 40.31 C ATOM 1196 CG ASN A 78 15.400 32.161 1.998 1.00 22.54 C ATOM 1197 OD1 ASN A 78 14.646 33.133 2.038 1.00 72.42 O ATOM 1198 ND2 ASN A 78 16.124 31.772 3.042 1.00 41.12 N ATOM 0 H ASN A 78 15.825 28.407 -0.437 1.00 73.44 H new ATOM 0 HA ASN A 78 16.054 29.409 1.531 1.00 11.42 H new ATOM 0 HB2 ASN A 78 16.561 31.444 0.350 1.00 40.31 H new ATOM 0 HB3 ASN A 78 14.875 31.732 -0.032 1.00 40.31 H new ATOM 0 HD21 ASN A 78 16.068 32.285 3.922 1.00 41.12 H new ATOM 0 HD22 ASN A 78 16.736 30.960 2.964 1.00 41.12 H new ATOM 1246 N MET A 82 10.854 23.864 7.083 1.00 1.33 N ATOM 1247 CA MET A 82 9.444 23.693 7.415 1.00 43.53 C ATOM 1248 C MET A 82 8.682 23.077 6.246 1.00 51.31 C ATOM 1249 O MET A 82 9.203 22.936 5.139 1.00 31.34 O ATOM 1250 CB MET A 82 8.821 25.038 7.793 1.00 13.32 C ATOM 1251 CG MET A 82 9.835 26.162 7.927 1.00 42.43 C ATOM 1252 SD MET A 82 9.270 27.701 7.176 1.00 15.34 S ATOM 1253 CE MET A 82 9.768 27.451 5.474 1.00 15.12 C ATOM 0 HA MET A 82 9.376 23.017 8.267 1.00 43.53 H new ATOM 0 HB2 MET A 82 8.084 25.313 7.038 1.00 13.32 H new ATOM 0 HB3 MET A 82 8.285 24.929 8.736 1.00 13.32 H new ATOM 0 HG2 MET A 82 10.044 26.333 8.983 1.00 42.43 H new ATOM 0 HG3 MET A 82 10.772 25.858 7.461 1.00 42.43 H new ATOM 0 HE1 MET A 82 9.439 28.297 4.871 1.00 15.12 H new ATOM 0 HE2 MET A 82 10.854 27.368 5.421 1.00 15.12 H new ATOM 0 HE3 MET A 82 9.315 26.536 5.093 1.00 15.12 H new ATOM 1263 N PRO A 83 7.419 22.701 6.495 1.00 54.35 N ATOM 1264 CA PRO A 83 6.558 22.094 5.475 1.00 40.43 C ATOM 1265 C PRO A 83 6.153 23.089 4.392 1.00 73.51 C ATOM 1266 O PRO A 83 5.182 22.871 3.666 1.00 61.23 O ATOM 1267 CB PRO A 83 5.332 21.640 6.270 1.00 15.41 C ATOM 1268 CG PRO A 83 5.298 22.537 7.459 1.00 13.40 C ATOM 1269 CD PRO A 83 6.733 22.840 7.790 1.00 12.22 C ATOM 0 HA PRO A 83 7.062 21.286 4.944 1.00 40.43 H new ATOM 0 HB2 PRO A 83 4.421 21.732 5.679 1.00 15.41 H new ATOM 0 HB3 PRO A 83 5.417 20.594 6.565 1.00 15.41 H new ATOM 0 HG2 PRO A 83 4.746 23.452 7.242 1.00 13.40 H new ATOM 0 HG3 PRO A 83 4.798 22.054 8.298 1.00 13.40 H new ATOM 0 HD2 PRO A 83 6.848 23.844 8.200 1.00 12.22 H new ATOM 0 HD3 PRO A 83 7.129 22.146 8.531 1.00 12.22 H new ATOM 1277 N THR A 84 6.902 24.182 4.288 1.00 63.44 N ATOM 1278 CA THR A 84 6.621 25.210 3.294 1.00 74.32 C ATOM 1279 C THR A 84 6.297 24.591 1.939 1.00 62.41 C ATOM 1280 O THR A 84 7.054 23.767 1.425 1.00 30.50 O ATOM 1281 CB THR A 84 7.809 26.176 3.133 1.00 11.53 C ATOM 1282 OG1 THR A 84 7.606 27.341 3.942 1.00 22.52 O ATOM 1283 CG2 THR A 84 7.980 26.587 1.679 1.00 53.25 C ATOM 0 H THR A 84 7.709 24.378 4.881 1.00 63.44 H new ATOM 0 HA THR A 84 5.755 25.767 3.652 1.00 74.32 H new ATOM 0 HB THR A 84 8.713 25.661 3.457 1.00 11.53 H new ATOM 0 HG1 THR A 84 7.871 28.139 3.439 1.00 22.52 H new ATOM 0 HG21 THR A 84 8.825 27.269 1.591 1.00 53.25 H new ATOM 0 HG22 THR A 84 8.163 25.702 1.070 1.00 53.25 H new ATOM 0 HG23 THR A 84 7.074 27.085 1.333 1.00 53.25 H new ATOM 1291 N PHE A 85 5.169 24.993 1.364 1.00 53.11 N ATOM 1292 CA PHE A 85 4.745 24.477 0.067 1.00 0.24 C ATOM 1293 C PHE A 85 5.291 25.340 -1.066 1.00 52.43 C ATOM 1294 O PHE A 85 4.534 25.845 -1.898 1.00 25.34 O ATOM 1295 CB PHE A 85 3.218 24.421 -0.009 1.00 12.43 C ATOM 1296 CG PHE A 85 2.675 23.029 -0.155 1.00 64.52 C ATOM 1297 CD1 PHE A 85 2.939 22.064 0.804 1.00 72.23 C ATOM 1298 CD2 PHE A 85 1.902 22.684 -1.252 1.00 64.23 C ATOM 1299 CE1 PHE A 85 2.441 20.781 0.672 1.00 12.11 C ATOM 1300 CE2 PHE A 85 1.401 21.403 -1.389 1.00 65.00 C ATOM 1301 CZ PHE A 85 1.672 20.450 -0.426 1.00 50.24 C ATOM 0 H PHE A 85 4.531 25.675 1.775 1.00 53.11 H new ATOM 0 HA PHE A 85 5.144 23.469 -0.043 1.00 0.24 H new ATOM 0 HB2 PHE A 85 2.801 24.872 0.891 1.00 12.43 H new ATOM 0 HB3 PHE A 85 2.882 25.024 -0.853 1.00 12.43 H new ATOM 0 HD1 PHE A 85 3.541 22.317 1.664 1.00 72.23 H new ATOM 0 HD2 PHE A 85 1.688 23.424 -2.009 1.00 64.23 H new ATOM 0 HE1 PHE A 85 2.653 20.038 1.427 1.00 12.11 H new ATOM 0 HE2 PHE A 85 0.798 21.147 -2.248 1.00 65.00 H new ATOM 0 HZ PHE A 85 1.283 19.448 -0.532 1.00 50.24 H new ATOM 1311 N LEU A 86 6.608 25.507 -1.093 1.00 64.11 N ATOM 1312 CA LEU A 86 7.257 26.310 -2.124 1.00 64.30 C ATOM 1313 C LEU A 86 6.701 25.976 -3.505 1.00 22.15 C ATOM 1314 O LEU A 86 6.402 24.819 -3.802 1.00 13.32 O ATOM 1315 CB LEU A 86 8.769 26.079 -2.101 1.00 64.04 C ATOM 1316 CG LEU A 86 9.640 27.314 -2.335 1.00 63.11 C ATOM 1317 CD1 LEU A 86 8.963 28.269 -3.306 1.00 20.23 C ATOM 1318 CD2 LEU A 86 9.939 28.013 -1.017 1.00 11.11 C ATOM 0 H LEU A 86 7.248 25.097 -0.413 1.00 64.11 H new ATOM 0 HA LEU A 86 7.053 27.360 -1.915 1.00 64.30 H new ATOM 0 HB2 LEU A 86 9.036 25.648 -1.136 1.00 64.04 H new ATOM 0 HB3 LEU A 86 9.015 25.337 -2.860 1.00 64.04 H new ATOM 0 HG LEU A 86 10.584 26.991 -2.774 1.00 63.11 H new ATOM 0 HD11 LEU A 86 9.598 29.142 -3.460 1.00 20.23 H new ATOM 0 HD12 LEU A 86 8.801 27.765 -4.259 1.00 20.23 H new ATOM 0 HD13 LEU A 86 8.004 28.586 -2.896 1.00 20.23 H new ATOM 0 HD21 LEU A 86 10.560 28.889 -1.203 1.00 11.11 H new ATOM 0 HD22 LEU A 86 9.004 28.323 -0.549 1.00 11.11 H new ATOM 0 HD23 LEU A 86 10.467 27.328 -0.354 1.00 11.11 H new ATOM 1330 N PHE A 87 6.567 26.996 -4.345 1.00 44.34 N ATOM 1331 CA PHE A 87 6.048 26.811 -5.696 1.00 5.34 C ATOM 1332 C PHE A 87 7.069 27.262 -6.737 1.00 14.32 C ATOM 1333 O PHE A 87 7.819 28.213 -6.515 1.00 23.25 O ATOM 1334 CB PHE A 87 4.743 27.589 -5.874 1.00 71.00 C ATOM 1335 CG PHE A 87 3.577 26.978 -5.150 1.00 25.01 C ATOM 1336 CD1 PHE A 87 3.482 27.060 -3.770 1.00 52.31 C ATOM 1337 CD2 PHE A 87 2.578 26.321 -5.849 1.00 72.20 C ATOM 1338 CE1 PHE A 87 2.410 26.499 -3.101 1.00 4.44 C ATOM 1339 CE2 PHE A 87 1.504 25.759 -5.185 1.00 60.51 C ATOM 1340 CZ PHE A 87 1.421 25.847 -3.809 1.00 72.22 C ATOM 0 H PHE A 87 6.810 27.959 -4.115 1.00 44.34 H new ATOM 0 HA PHE A 87 5.852 25.749 -5.842 1.00 5.34 H new ATOM 0 HB2 PHE A 87 4.886 28.610 -5.519 1.00 71.00 H new ATOM 0 HB3 PHE A 87 4.508 27.651 -6.937 1.00 71.00 H new ATOM 0 HD1 PHE A 87 4.254 27.568 -3.211 1.00 52.31 H new ATOM 0 HD2 PHE A 87 2.639 26.247 -6.925 1.00 72.20 H new ATOM 0 HE1 PHE A 87 2.347 26.571 -2.025 1.00 4.44 H new ATOM 0 HE2 PHE A 87 0.730 25.251 -5.742 1.00 60.51 H new ATOM 0 HZ PHE A 87 0.584 25.406 -3.288 1.00 72.22 H new ATOM 1350 N ILE A 88 7.090 26.573 -7.873 1.00 12.23 N ATOM 1351 CA ILE A 88 8.017 26.903 -8.948 1.00 73.33 C ATOM 1352 C ILE A 88 7.297 26.976 -10.291 1.00 23.12 C ATOM 1353 O ILE A 88 7.407 26.070 -11.117 1.00 33.40 O ATOM 1354 CB ILE A 88 9.156 25.871 -9.045 1.00 4.31 C ATOM 1355 CG1 ILE A 88 9.690 25.537 -7.651 1.00 25.24 C ATOM 1356 CG2 ILE A 88 10.273 26.398 -9.934 1.00 23.14 C ATOM 1357 CD1 ILE A 88 10.438 26.680 -7.000 1.00 31.53 C ATOM 0 H ILE A 88 6.476 25.783 -8.072 1.00 12.23 H new ATOM 0 HA ILE A 88 8.441 27.879 -8.711 1.00 73.33 H new ATOM 0 HB ILE A 88 8.763 24.958 -9.491 1.00 4.31 H new ATOM 0 HG12 ILE A 88 8.856 25.248 -7.011 1.00 25.24 H new ATOM 0 HG13 ILE A 88 10.352 24.674 -7.722 1.00 25.24 H new ATOM 0 HG21 ILE A 88 11.071 25.658 -9.993 1.00 23.14 H new ATOM 0 HG22 ILE A 88 9.882 26.591 -10.933 1.00 23.14 H new ATOM 0 HG23 ILE A 88 10.667 27.323 -9.513 1.00 23.14 H new ATOM 0 HD11 ILE A 88 10.788 26.372 -6.015 1.00 31.53 H new ATOM 0 HD12 ILE A 88 11.292 26.955 -7.619 1.00 31.53 H new ATOM 0 HD13 ILE A 88 9.774 27.538 -6.897 1.00 31.53 H new ATOM 1369 N LYS A 89 6.562 28.062 -10.503 1.00 40.03 N ATOM 1370 CA LYS A 89 5.826 28.257 -11.747 1.00 1.22 C ATOM 1371 C LYS A 89 6.764 28.678 -12.874 1.00 11.33 C ATOM 1372 O LYS A 89 7.458 29.690 -12.771 1.00 24.33 O ATOM 1373 CB LYS A 89 4.734 29.312 -11.557 1.00 11.21 C ATOM 1374 CG LYS A 89 4.286 29.964 -12.853 1.00 41.35 C ATOM 1375 CD LYS A 89 2.772 30.067 -12.932 1.00 41.21 C ATOM 1376 CE LYS A 89 2.201 30.811 -11.734 1.00 60.25 C ATOM 1377 NZ LYS A 89 2.200 32.285 -11.946 1.00 31.11 N ATOM 0 H LYS A 89 6.460 28.821 -9.829 1.00 40.03 H new ATOM 0 HA LYS A 89 5.363 27.308 -12.019 1.00 1.22 H new ATOM 0 HB2 LYS A 89 3.872 28.848 -11.077 1.00 11.21 H new ATOM 0 HB3 LYS A 89 5.100 30.084 -10.880 1.00 11.21 H new ATOM 0 HG2 LYS A 89 4.724 30.959 -12.931 1.00 41.35 H new ATOM 0 HG3 LYS A 89 4.657 29.386 -13.699 1.00 41.35 H new ATOM 0 HD2 LYS A 89 2.489 30.582 -13.850 1.00 41.21 H new ATOM 0 HD3 LYS A 89 2.340 29.067 -12.981 1.00 41.21 H new ATOM 0 HE2 LYS A 89 1.183 30.470 -11.546 1.00 60.25 H new ATOM 0 HE3 LYS A 89 2.786 30.572 -10.846 1.00 60.25 H new ATOM 0 HZ1 LYS A 89 1.804 32.756 -11.108 1.00 31.11 H new ATOM 0 HZ2 LYS A 89 3.174 32.614 -12.100 1.00 31.11 H new ATOM 0 HZ3 LYS A 89 1.621 32.516 -12.779 1.00 31.11 H new ATOM 1391 N ASP A 90 6.778 27.898 -13.948 1.00 72.44 N ATOM 1392 CA ASP A 90 7.628 28.191 -15.096 1.00 5.42 C ATOM 1393 C ASP A 90 9.043 27.664 -14.873 1.00 14.30 C ATOM 1394 O ASP A 90 9.815 27.510 -15.818 1.00 75.43 O ATOM 1395 CB ASP A 90 7.668 29.698 -15.356 1.00 75.04 C ATOM 1396 CG ASP A 90 7.925 30.027 -16.814 1.00 31.02 C ATOM 1397 OD1 ASP A 90 8.826 29.403 -17.412 1.00 74.13 O ATOM 1398 OD2 ASP A 90 7.226 30.909 -17.356 1.00 2.24 O ATOM 0 H ASP A 90 6.210 27.057 -14.048 1.00 72.44 H new ATOM 0 HA ASP A 90 7.205 27.690 -15.967 1.00 5.42 H new ATOM 0 HB2 ASP A 90 6.722 30.142 -15.048 1.00 75.04 H new ATOM 0 HB3 ASP A 90 8.447 30.149 -14.742 1.00 75.04 H new ATOM 1403 N GLY A 91 9.376 27.391 -13.615 1.00 13.10 N ATOM 1404 CA GLY A 91 10.697 26.886 -13.290 1.00 72.25 C ATOM 1405 C GLY A 91 11.543 27.905 -12.554 1.00 14.24 C ATOM 1406 O GLY A 91 12.726 28.070 -12.849 1.00 31.30 O ATOM 0 H GLY A 91 8.754 27.511 -12.815 1.00 13.10 H new ATOM 0 HA2 GLY A 91 10.599 25.990 -12.678 1.00 72.25 H new ATOM 0 HA3 GLY A 91 11.206 26.591 -14.208 1.00 72.25 H new ATOM 1410 N ALA A 92 10.934 28.593 -11.593 1.00 24.24 N ATOM 1411 CA ALA A 92 11.640 29.601 -10.811 1.00 54.34 C ATOM 1412 C ALA A 92 11.112 29.656 -9.382 1.00 1.13 C ATOM 1413 O ALA A 92 11.635 28.986 -8.492 1.00 1.21 O ATOM 1414 CB ALA A 92 11.515 30.965 -11.475 1.00 20.04 C ATOM 0 H ALA A 92 9.954 28.471 -11.338 1.00 24.24 H new ATOM 0 HA ALA A 92 12.693 29.323 -10.770 1.00 54.34 H new ATOM 0 HB1 ALA A 92 12.046 31.709 -10.881 1.00 20.04 H new ATOM 0 HB2 ALA A 92 11.946 30.924 -12.475 1.00 20.04 H new ATOM 0 HB3 ALA A 92 10.463 31.241 -11.545 1.00 20.04 H new ATOM 1420 N GLU A 93 10.074 30.459 -9.169 1.00 71.11 N ATOM 1421 CA GLU A 93 9.478 30.601 -7.846 1.00 53.31 C ATOM 1422 C GLU A 93 8.226 31.472 -7.904 1.00 51.13 C ATOM 1423 O GLU A 93 8.311 32.692 -8.042 1.00 64.12 O ATOM 1424 CB GLU A 93 10.488 31.206 -6.869 1.00 41.33 C ATOM 1425 CG GLU A 93 10.210 30.862 -5.416 1.00 5.44 C ATOM 1426 CD GLU A 93 11.436 31.015 -4.536 1.00 11.24 C ATOM 1427 OE1 GLU A 93 12.451 30.342 -4.810 1.00 4.35 O ATOM 1428 OE2 GLU A 93 11.379 31.809 -3.573 1.00 32.43 O ATOM 0 H GLU A 93 9.629 31.020 -9.895 1.00 71.11 H new ATOM 0 HA GLU A 93 9.194 29.609 -7.496 1.00 53.31 H new ATOM 0 HB2 GLU A 93 11.487 30.858 -7.131 1.00 41.33 H new ATOM 0 HB3 GLU A 93 10.487 32.290 -6.984 1.00 41.33 H new ATOM 0 HG2 GLU A 93 9.415 31.505 -5.040 1.00 5.44 H new ATOM 0 HG3 GLU A 93 9.847 29.836 -5.352 1.00 5.44 H new ATOM 1435 N ALA A 94 7.064 30.836 -7.799 1.00 20.52 N ATOM 1436 CA ALA A 94 5.795 31.551 -7.838 1.00 33.01 C ATOM 1437 C ALA A 94 5.387 32.022 -6.446 1.00 41.42 C ATOM 1438 O ALA A 94 4.744 33.061 -6.296 1.00 12.31 O ATOM 1439 CB ALA A 94 4.710 30.669 -8.437 1.00 73.52 C ATOM 0 H ALA A 94 6.976 29.826 -7.686 1.00 20.52 H new ATOM 0 HA ALA A 94 5.922 32.431 -8.468 1.00 33.01 H new ATOM 0 HB1 ALA A 94 3.768 31.216 -8.460 1.00 73.52 H new ATOM 0 HB2 ALA A 94 4.990 30.386 -9.452 1.00 73.52 H new ATOM 0 HB3 ALA A 94 4.594 29.772 -7.829 1.00 73.52 H new ATOM 1445 N ASP A 95 5.765 31.252 -5.432 1.00 13.32 N ATOM 1446 CA ASP A 95 5.439 31.592 -4.051 1.00 74.45 C ATOM 1447 C ASP A 95 5.467 30.350 -3.165 1.00 41.24 C ATOM 1448 O ASP A 95 5.784 29.253 -3.625 1.00 62.12 O ATOM 1449 CB ASP A 95 4.062 32.254 -3.978 1.00 40.23 C ATOM 1450 CG ASP A 95 4.150 33.766 -3.909 1.00 1.11 C ATOM 1451 OD1 ASP A 95 5.173 34.278 -3.407 1.00 74.14 O ATOM 1452 OD2 ASP A 95 3.196 34.437 -4.355 1.00 41.52 O ATOM 0 H ASP A 95 6.297 30.389 -5.540 1.00 13.32 H new ATOM 0 HA ASP A 95 6.191 32.293 -3.688 1.00 74.45 H new ATOM 0 HB2 ASP A 95 3.477 31.966 -4.852 1.00 40.23 H new ATOM 0 HB3 ASP A 95 3.530 31.883 -3.102 1.00 40.23 H new ATOM 1457 N LYS A 96 5.135 30.531 -1.892 1.00 35.12 N ATOM 1458 CA LYS A 96 5.121 29.426 -0.940 1.00 3.52 C ATOM 1459 C LYS A 96 3.781 29.348 -0.216 1.00 50.10 C ATOM 1460 O LYS A 96 2.820 30.019 -0.593 1.00 3.30 O ATOM 1461 CB LYS A 96 6.253 29.589 0.077 1.00 4.11 C ATOM 1462 CG LYS A 96 7.524 30.174 -0.515 1.00 52.13 C ATOM 1463 CD LYS A 96 7.740 31.609 -0.064 1.00 61.23 C ATOM 1464 CE LYS A 96 8.871 31.710 0.948 1.00 52.40 C ATOM 1465 NZ LYS A 96 9.326 33.116 1.132 1.00 13.42 N ATOM 0 H LYS A 96 4.872 31.433 -1.495 1.00 35.12 H new ATOM 0 HA LYS A 96 5.268 28.499 -1.495 1.00 3.52 H new ATOM 0 HB2 LYS A 96 5.911 30.231 0.889 1.00 4.11 H new ATOM 0 HB3 LYS A 96 6.480 28.617 0.514 1.00 4.11 H new ATOM 0 HG2 LYS A 96 8.378 29.566 -0.218 1.00 52.13 H new ATOM 0 HG3 LYS A 96 7.470 30.138 -1.603 1.00 52.13 H new ATOM 0 HD2 LYS A 96 7.967 32.233 -0.928 1.00 61.23 H new ATOM 0 HD3 LYS A 96 6.821 31.996 0.376 1.00 61.23 H new ATOM 0 HE2 LYS A 96 8.539 31.307 1.905 1.00 52.40 H new ATOM 0 HE3 LYS A 96 9.710 31.097 0.618 1.00 52.40 H new ATOM 0 HZ1 LYS A 96 10.097 33.143 1.829 1.00 13.42 H new ATOM 0 HZ2 LYS A 96 9.666 33.492 0.224 1.00 13.42 H new ATOM 0 HZ3 LYS A 96 8.532 33.696 1.471 1.00 13.42 H new ATOM 1479 N VAL A 97 3.724 28.525 0.826 1.00 14.24 N ATOM 1480 CA VAL A 97 2.502 28.361 1.605 1.00 53.33 C ATOM 1481 C VAL A 97 2.797 27.751 2.970 1.00 64.31 C ATOM 1482 O VAL A 97 3.170 28.454 3.909 1.00 2.01 O ATOM 1483 CB VAL A 97 1.482 27.473 0.868 1.00 55.45 C ATOM 1484 CG1 VAL A 97 0.385 27.018 1.818 1.00 31.40 C ATOM 1485 CG2 VAL A 97 0.892 28.215 -0.323 1.00 5.01 C ATOM 0 H VAL A 97 4.510 27.961 1.150 1.00 14.24 H new ATOM 0 HA VAL A 97 2.077 29.356 1.740 1.00 53.33 H new ATOM 0 HB VAL A 97 1.999 26.588 0.497 1.00 55.45 H new ATOM 0 HG11 VAL A 97 -0.326 26.392 1.279 1.00 31.40 H new ATOM 0 HG12 VAL A 97 0.825 26.447 2.635 1.00 31.40 H new ATOM 0 HG13 VAL A 97 -0.131 27.889 2.221 1.00 31.40 H new ATOM 0 HG21 VAL A 97 0.173 27.573 -0.832 1.00 5.01 H new ATOM 0 HG22 VAL A 97 0.390 29.118 0.023 1.00 5.01 H new ATOM 0 HG23 VAL A 97 1.690 28.486 -1.014 1.00 5.01 H new ATOM 1495 N VAL A 98 2.629 26.436 3.073 1.00 1.23 N ATOM 1496 CA VAL A 98 2.880 25.729 4.324 1.00 54.34 C ATOM 1497 C VAL A 98 2.102 24.419 4.379 1.00 23.04 C ATOM 1498 O VAL A 98 0.881 24.403 4.231 1.00 62.53 O ATOM 1499 CB VAL A 98 2.499 26.592 5.542 1.00 71.52 C ATOM 1500 CG1 VAL A 98 1.793 25.749 6.593 1.00 21.31 C ATOM 1501 CG2 VAL A 98 3.733 27.263 6.125 1.00 11.12 C ATOM 0 H VAL A 98 2.320 25.839 2.306 1.00 1.23 H new ATOM 0 HA VAL A 98 3.948 25.516 4.360 1.00 54.34 H new ATOM 0 HB VAL A 98 1.811 27.371 5.214 1.00 71.52 H new ATOM 0 HG11 VAL A 98 1.531 26.375 7.446 1.00 21.31 H new ATOM 0 HG12 VAL A 98 0.886 25.320 6.166 1.00 21.31 H new ATOM 0 HG13 VAL A 98 2.455 24.947 6.921 1.00 21.31 H new ATOM 0 HG21 VAL A 98 3.446 27.869 6.985 1.00 11.12 H new ATOM 0 HG22 VAL A 98 4.447 26.502 6.440 1.00 11.12 H new ATOM 0 HG23 VAL A 98 4.192 27.900 5.369 1.00 11.12 H new ATOM 1511 N GLY A 99 2.820 23.320 4.595 1.00 15.34 N ATOM 1512 CA GLY A 99 2.180 22.019 4.668 1.00 44.45 C ATOM 1513 C GLY A 99 1.483 21.789 5.994 1.00 65.43 C ATOM 1514 O GLY A 99 1.592 20.712 6.580 1.00 2.45 O ATOM 0 H GLY A 99 3.832 23.308 4.721 1.00 15.34 H new ATOM 0 HA2 GLY A 99 1.455 21.929 3.859 1.00 44.45 H new ATOM 0 HA3 GLY A 99 2.928 21.241 4.514 1.00 44.45 H new ATOM 1518 N ALA A 100 0.767 22.802 6.468 1.00 12.31 N ATOM 1519 CA ALA A 100 0.049 22.705 7.733 1.00 25.42 C ATOM 1520 C ALA A 100 -1.199 23.581 7.726 1.00 63.44 C ATOM 1521 O ALA A 100 -1.811 23.813 8.768 1.00 54.43 O ATOM 1522 CB ALA A 100 0.961 23.092 8.888 1.00 22.52 C ATOM 0 H ALA A 100 0.668 23.700 5.995 1.00 12.31 H new ATOM 0 HA ALA A 100 -0.267 21.670 7.864 1.00 25.42 H new ATOM 0 HB1 ALA A 100 0.412 23.015 9.827 1.00 22.52 H new ATOM 0 HB2 ALA A 100 1.820 22.421 8.914 1.00 22.52 H new ATOM 0 HB3 ALA A 100 1.305 24.117 8.752 1.00 22.52 H new ATOM 1528 N ARG A 101 -1.570 24.064 6.545 1.00 65.05 N ATOM 1529 CA ARG A 101 -2.744 24.916 6.402 1.00 2.23 C ATOM 1530 C ARG A 101 -3.696 24.359 5.348 1.00 22.32 C ATOM 1531 O ARG A 101 -3.364 24.301 4.164 1.00 24.10 O ATOM 1532 CB ARG A 101 -2.325 26.339 6.026 1.00 75.32 C ATOM 1533 CG ARG A 101 -2.298 27.298 7.205 1.00 74.23 C ATOM 1534 CD ARG A 101 -1.344 26.821 8.289 1.00 53.33 C ATOM 1535 NE ARG A 101 -1.004 27.888 9.226 1.00 41.31 N ATOM 1536 CZ ARG A 101 -0.273 27.701 10.319 1.00 33.43 C ATOM 1537 NH1 ARG A 101 0.192 26.494 10.611 1.00 35.31 N ATOM 1538 NH2 ARG A 101 -0.006 28.722 11.123 1.00 22.23 N ATOM 0 H ARG A 101 -1.074 23.880 5.673 1.00 65.05 H new ATOM 0 HA ARG A 101 -3.264 24.939 7.360 1.00 2.23 H new ATOM 0 HB2 ARG A 101 -1.335 26.309 5.570 1.00 75.32 H new ATOM 0 HB3 ARG A 101 -3.011 26.723 5.272 1.00 75.32 H new ATOM 0 HG2 ARG A 101 -1.996 28.288 6.863 1.00 74.23 H new ATOM 0 HG3 ARG A 101 -3.302 27.396 7.619 1.00 74.23 H new ATOM 0 HD2 ARG A 101 -1.798 25.992 8.832 1.00 53.33 H new ATOM 0 HD3 ARG A 101 -0.433 26.439 7.828 1.00 53.33 H new ATOM 0 HE ARG A 101 -1.347 28.829 9.030 1.00 41.31 H new ATOM 0 HH11 ARG A 101 -0.011 25.706 9.996 1.00 35.31 H new ATOM 0 HH12 ARG A 101 0.753 26.353 11.451 1.00 35.31 H new ATOM 0 HH21 ARG A 101 -0.362 29.652 10.902 1.00 22.23 H new ATOM 0 HH22 ARG A 101 0.555 28.577 11.962 1.00 22.23 H new ATOM 1552 N LYS A 102 -4.881 23.949 5.787 1.00 71.54 N ATOM 1553 CA LYS A 102 -5.883 23.396 4.882 1.00 24.04 C ATOM 1554 C LYS A 102 -6.701 24.507 4.232 1.00 2.13 C ATOM 1555 O LYS A 102 -7.686 24.243 3.543 1.00 41.34 O ATOM 1556 CB LYS A 102 -6.810 22.441 5.637 1.00 25.43 C ATOM 1557 CG LYS A 102 -7.301 21.277 4.794 1.00 53.00 C ATOM 1558 CD LYS A 102 -8.542 21.649 4.000 1.00 53.10 C ATOM 1559 CE LYS A 102 -9.460 20.452 3.807 1.00 34.22 C ATOM 1560 NZ LYS A 102 -10.748 20.838 3.167 1.00 34.12 N ATOM 0 H LYS A 102 -5.172 23.989 6.764 1.00 71.54 H new ATOM 0 HA LYS A 102 -5.364 22.845 4.098 1.00 24.04 H new ATOM 0 HB2 LYS A 102 -6.284 22.051 6.509 1.00 25.43 H new ATOM 0 HB3 LYS A 102 -7.670 22.999 6.007 1.00 25.43 H new ATOM 0 HG2 LYS A 102 -6.512 20.962 4.111 1.00 53.00 H new ATOM 0 HG3 LYS A 102 -7.522 20.427 5.439 1.00 53.00 H new ATOM 0 HD2 LYS A 102 -9.081 22.443 4.517 1.00 53.10 H new ATOM 0 HD3 LYS A 102 -8.248 22.044 3.028 1.00 53.10 H new ATOM 0 HE2 LYS A 102 -8.958 19.705 3.192 1.00 34.22 H new ATOM 0 HE3 LYS A 102 -9.659 19.988 4.773 1.00 34.22 H new ATOM 0 HZ1 LYS A 102 -11.345 19.994 3.053 1.00 34.12 H new ATOM 0 HZ2 LYS A 102 -11.239 21.532 3.766 1.00 34.12 H new ATOM 0 HZ3 LYS A 102 -10.560 21.258 2.234 1.00 34.12 H new ATOM 1574 N ASP A 103 -6.286 25.749 4.455 1.00 3.15 N ATOM 1575 CA ASP A 103 -6.979 26.900 3.889 1.00 2.40 C ATOM 1576 C ASP A 103 -6.019 27.771 3.084 1.00 23.30 C ATOM 1577 O ASP A 103 -6.438 28.699 2.393 1.00 0.40 O ATOM 1578 CB ASP A 103 -7.629 27.728 4.999 1.00 44.21 C ATOM 1579 CG ASP A 103 -8.581 28.776 4.458 1.00 50.15 C ATOM 1580 OD1 ASP A 103 -9.295 28.479 3.477 1.00 55.10 O ATOM 1581 OD2 ASP A 103 -8.613 29.893 5.015 1.00 63.11 O ATOM 0 H ASP A 103 -5.473 25.984 5.024 1.00 3.15 H new ATOM 0 HA ASP A 103 -7.756 26.531 3.219 1.00 2.40 H new ATOM 0 HB2 ASP A 103 -8.169 27.064 5.674 1.00 44.21 H new ATOM 0 HB3 ASP A 103 -6.852 28.216 5.587 1.00 44.21 H new ATOM 1586 N ASP A 104 -4.730 27.465 3.179 1.00 24.52 N ATOM 1587 CA ASP A 104 -3.710 28.219 2.460 1.00 65.40 C ATOM 1588 C ASP A 104 -3.153 27.406 1.295 1.00 21.33 C ATOM 1589 O ASP A 104 -2.595 27.960 0.348 1.00 43.43 O ATOM 1590 CB ASP A 104 -2.577 28.617 3.407 1.00 2.22 C ATOM 1591 CG ASP A 104 -2.117 30.045 3.191 1.00 44.42 C ATOM 1592 OD1 ASP A 104 -2.968 30.900 2.868 1.00 43.00 O ATOM 1593 OD2 ASP A 104 -0.905 30.308 3.343 1.00 11.44 O ATOM 0 H ASP A 104 -4.367 26.700 3.747 1.00 24.52 H new ATOM 0 HA ASP A 104 -4.174 29.121 2.061 1.00 65.40 H new ATOM 0 HB2 ASP A 104 -2.910 28.498 4.438 1.00 2.22 H new ATOM 0 HB3 ASP A 104 -1.734 27.941 3.264 1.00 2.22 H new ATOM 1598 N LEU A 105 -3.308 26.089 1.373 1.00 64.44 N ATOM 1599 CA LEU A 105 -2.820 25.198 0.325 1.00 4.12 C ATOM 1600 C LEU A 105 -3.717 25.264 -0.907 1.00 25.43 C ATOM 1601 O LEU A 105 -3.361 25.878 -1.912 1.00 54.01 O ATOM 1602 CB LEU A 105 -2.749 23.760 0.843 1.00 41.42 C ATOM 1603 CG LEU A 105 -2.520 22.678 -0.212 1.00 62.43 C ATOM 1604 CD1 LEU A 105 -1.097 22.743 -0.744 1.00 45.21 C ATOM 1605 CD2 LEU A 105 -2.813 21.300 0.365 1.00 43.34 C ATOM 0 H LEU A 105 -3.767 25.614 2.150 1.00 64.44 H new ATOM 0 HA LEU A 105 -1.820 25.525 0.041 1.00 4.12 H new ATOM 0 HB2 LEU A 105 -1.946 23.699 1.578 1.00 41.42 H new ATOM 0 HB3 LEU A 105 -3.678 23.537 1.367 1.00 41.42 H new ATOM 0 HG LEU A 105 -3.204 22.856 -1.041 1.00 62.43 H new ATOM 0 HD11 LEU A 105 -0.953 21.965 -1.494 1.00 45.21 H new ATOM 0 HD12 LEU A 105 -0.922 23.719 -1.196 1.00 45.21 H new ATOM 0 HD13 LEU A 105 -0.395 22.591 0.076 1.00 45.21 H new ATOM 0 HD21 LEU A 105 -2.645 20.542 -0.400 1.00 43.34 H new ATOM 0 HD22 LEU A 105 -2.154 21.113 1.213 1.00 43.34 H new ATOM 0 HD23 LEU A 105 -3.851 21.257 0.696 1.00 43.34 H new ATOM 1617 N GLN A 106 -4.880 24.628 -0.819 1.00 75.14 N ATOM 1618 CA GLN A 106 -5.829 24.616 -1.927 1.00 63.30 C ATOM 1619 C GLN A 106 -6.042 26.022 -2.476 1.00 53.43 C ATOM 1620 O GLN A 106 -6.414 26.196 -3.636 1.00 15.42 O ATOM 1621 CB GLN A 106 -7.165 24.023 -1.476 1.00 2.33 C ATOM 1622 CG GLN A 106 -7.851 24.830 -0.385 1.00 43.21 C ATOM 1623 CD GLN A 106 -6.918 25.176 0.759 1.00 51.21 C ATOM 1624 OE1 GLN A 106 -6.707 26.349 1.070 1.00 63.32 O ATOM 1625 NE2 GLN A 106 -6.354 24.155 1.393 1.00 71.22 N ATOM 0 H GLN A 106 -5.188 24.115 0.007 1.00 75.14 H new ATOM 0 HA GLN A 106 -5.414 23.995 -2.721 1.00 63.30 H new ATOM 0 HB2 GLN A 106 -7.830 23.951 -2.336 1.00 2.33 H new ATOM 0 HB3 GLN A 106 -6.999 23.008 -1.116 1.00 2.33 H new ATOM 0 HG2 GLN A 106 -8.250 25.749 -0.814 1.00 43.21 H new ATOM 0 HG3 GLN A 106 -8.699 24.265 0.001 1.00 43.21 H new ATOM 0 HE21 GLN A 106 -6.557 23.199 1.102 1.00 71.22 H new ATOM 0 HE22 GLN A 106 -5.718 24.327 2.171 1.00 71.22 H new ATOM 1634 N ASN A 107 -5.804 27.023 -1.635 1.00 12.32 N ATOM 1635 CA ASN A 107 -5.972 28.415 -2.036 1.00 44.42 C ATOM 1636 C ASN A 107 -4.839 28.855 -2.959 1.00 52.41 C ATOM 1637 O ASN A 107 -5.046 29.641 -3.884 1.00 54.24 O ATOM 1638 CB ASN A 107 -6.021 29.321 -0.804 1.00 31.22 C ATOM 1639 CG ASN A 107 -7.440 29.687 -0.412 1.00 44.43 C ATOM 1640 OD1 ASN A 107 -7.867 30.829 -0.583 1.00 1.45 O ATOM 1641 ND2 ASN A 107 -8.177 28.717 0.116 1.00 40.33 N ATOM 0 H ASN A 107 -5.494 26.896 -0.671 1.00 12.32 H new ATOM 0 HA ASN A 107 -6.914 28.500 -2.578 1.00 44.42 H new ATOM 0 HB2 ASN A 107 -5.534 28.819 0.032 1.00 31.22 H new ATOM 0 HB3 ASN A 107 -5.456 30.231 -1.003 1.00 31.22 H new ATOM 0 HD21 ASN A 107 -9.139 28.904 0.399 1.00 40.33 H new ATOM 0 HD22 ASN A 107 -7.781 27.785 0.239 1.00 40.33 H new ATOM 1648 N THR A 108 -3.640 28.343 -2.701 1.00 61.34 N ATOM 1649 CA THR A 108 -2.474 28.682 -3.508 1.00 12.34 C ATOM 1650 C THR A 108 -2.454 27.886 -4.807 1.00 65.21 C ATOM 1651 O THR A 108 -2.170 28.430 -5.875 1.00 30.31 O ATOM 1652 CB THR A 108 -1.165 28.423 -2.739 1.00 2.20 C ATOM 1653 OG1 THR A 108 -0.977 29.430 -1.738 1.00 21.31 O ATOM 1654 CG2 THR A 108 0.026 28.414 -3.686 1.00 12.11 C ATOM 0 H THR A 108 -3.451 27.692 -1.939 1.00 61.34 H new ATOM 0 HA THR A 108 -2.547 29.745 -3.739 1.00 12.34 H new ATOM 0 HB THR A 108 -1.237 27.446 -2.262 1.00 2.20 H new ATOM 0 HG1 THR A 108 -1.492 29.196 -0.938 1.00 21.31 H new ATOM 0 HG21 THR A 108 0.939 28.229 -3.120 1.00 12.11 H new ATOM 0 HG22 THR A 108 -0.106 27.628 -4.429 1.00 12.11 H new ATOM 0 HG23 THR A 108 0.099 29.379 -4.188 1.00 12.11 H new ATOM 1662 N ILE A 109 -2.756 26.596 -4.710 1.00 21.43 N ATOM 1663 CA ILE A 109 -2.773 25.725 -5.879 1.00 15.23 C ATOM 1664 C ILE A 109 -3.774 26.220 -6.918 1.00 12.15 C ATOM 1665 O ILE A 109 -3.617 25.974 -8.114 1.00 4.55 O ATOM 1666 CB ILE A 109 -3.123 24.275 -5.496 1.00 10.03 C ATOM 1667 CG1 ILE A 109 -1.908 23.581 -4.877 1.00 61.11 C ATOM 1668 CG2 ILE A 109 -3.614 23.509 -6.715 1.00 22.20 C ATOM 1669 CD1 ILE A 109 -1.774 23.811 -3.388 1.00 64.01 C ATOM 0 H ILE A 109 -2.992 26.130 -3.834 1.00 21.43 H new ATOM 0 HA ILE A 109 -1.770 25.748 -6.304 1.00 15.23 H new ATOM 0 HB ILE A 109 -3.923 24.293 -4.756 1.00 10.03 H new ATOM 0 HG12 ILE A 109 -1.976 22.510 -5.066 1.00 61.11 H new ATOM 0 HG13 ILE A 109 -1.005 23.936 -5.374 1.00 61.11 H new ATOM 0 HG21 ILE A 109 -3.857 22.486 -6.428 1.00 22.20 H new ATOM 0 HG22 ILE A 109 -4.504 23.995 -7.116 1.00 22.20 H new ATOM 0 HG23 ILE A 109 -2.833 23.497 -7.476 1.00 22.20 H new ATOM 0 HD11 ILE A 109 -0.891 23.290 -3.017 1.00 64.01 H new ATOM 0 HD12 ILE A 109 -1.674 24.879 -3.192 1.00 64.01 H new ATOM 0 HD13 ILE A 109 -2.660 23.431 -2.880 1.00 64.01 H new ATOM 1681 N VAL A 110 -4.804 26.921 -6.453 1.00 21.43 N ATOM 1682 CA VAL A 110 -5.830 27.453 -7.341 1.00 44.34 C ATOM 1683 C VAL A 110 -5.345 28.716 -8.045 1.00 12.11 C ATOM 1684 O VAL A 110 -5.775 29.025 -9.157 1.00 21.23 O ATOM 1685 CB VAL A 110 -7.127 27.772 -6.574 1.00 63.33 C ATOM 1686 CG1 VAL A 110 -7.668 26.521 -5.897 1.00 45.45 C ATOM 1687 CG2 VAL A 110 -6.886 28.877 -5.557 1.00 70.20 C ATOM 0 H VAL A 110 -4.949 27.133 -5.466 1.00 21.43 H new ATOM 0 HA VAL A 110 -6.037 26.682 -8.083 1.00 44.34 H new ATOM 0 HB VAL A 110 -7.874 28.122 -7.287 1.00 63.33 H new ATOM 0 HG11 VAL A 110 -8.584 26.765 -5.360 1.00 45.45 H new ATOM 0 HG12 VAL A 110 -7.880 25.762 -6.650 1.00 45.45 H new ATOM 0 HG13 VAL A 110 -6.927 26.138 -5.195 1.00 45.45 H new ATOM 0 HG21 VAL A 110 -7.813 29.090 -5.024 1.00 70.20 H new ATOM 0 HG22 VAL A 110 -6.124 28.557 -4.846 1.00 70.20 H new ATOM 0 HG23 VAL A 110 -6.548 29.777 -6.071 1.00 70.20 H new ATOM 1697 N LYS A 111 -4.447 29.444 -7.390 1.00 50.01 N ATOM 1698 CA LYS A 111 -3.901 30.674 -7.952 1.00 71.42 C ATOM 1699 C LYS A 111 -2.769 30.370 -8.929 1.00 34.12 C ATOM 1700 O LYS A 111 -2.534 31.122 -9.875 1.00 41.01 O ATOM 1701 CB LYS A 111 -3.393 31.588 -6.835 1.00 73.00 C ATOM 1702 CG LYS A 111 -1.895 31.493 -6.606 1.00 1.45 C ATOM 1703 CD LYS A 111 -1.510 31.988 -5.221 1.00 54.43 C ATOM 1704 CE LYS A 111 -1.130 33.461 -5.242 1.00 13.03 C ATOM 1705 NZ LYS A 111 0.080 33.733 -4.418 1.00 32.04 N ATOM 0 H LYS A 111 -4.082 29.203 -6.469 1.00 50.01 H new ATOM 0 HA LYS A 111 -4.699 31.182 -8.494 1.00 71.42 H new ATOM 0 HB2 LYS A 111 -3.651 32.619 -7.076 1.00 73.00 H new ATOM 0 HB3 LYS A 111 -3.910 31.338 -5.909 1.00 73.00 H new ATOM 0 HG2 LYS A 111 -1.572 30.459 -6.726 1.00 1.45 H new ATOM 0 HG3 LYS A 111 -1.373 32.080 -7.361 1.00 1.45 H new ATOM 0 HD2 LYS A 111 -2.343 31.836 -4.534 1.00 54.43 H new ATOM 0 HD3 LYS A 111 -0.673 31.401 -4.843 1.00 54.43 H new ATOM 0 HE2 LYS A 111 -0.947 33.774 -6.270 1.00 13.03 H new ATOM 0 HE3 LYS A 111 -1.964 34.057 -4.870 1.00 13.03 H new ATOM 0 HZ1 LYS A 111 0.306 34.747 -4.458 1.00 32.04 H new ATOM 0 HZ2 LYS A 111 -0.102 33.458 -3.432 1.00 32.04 H new ATOM 0 HZ3 LYS A 111 0.882 33.184 -4.788 1.00 32.04 H new ATOM 1719 N HIS A 112 -2.072 29.263 -8.694 1.00 74.41 N ATOM 1720 CA HIS A 112 -0.966 28.859 -9.555 1.00 34.41 C ATOM 1721 C HIS A 112 -1.411 27.783 -10.541 1.00 64.23 C ATOM 1722 O HIS A 112 -1.134 27.871 -11.738 1.00 31.43 O ATOM 1723 CB HIS A 112 0.201 28.344 -8.713 1.00 24.03 C ATOM 1724 CG HIS A 112 0.648 29.307 -7.656 1.00 70.11 C ATOM 1725 ND1 HIS A 112 1.055 29.097 -6.382 1.00 63.32 N flip ATOM 1726 CD2 HIS A 112 0.709 30.670 -7.857 1.00 52.42 C flip ATOM 1727 CE1 HIS A 112 1.353 30.325 -5.843 1.00 62.44 C flip ATOM 1728 NE2 HIS A 112 1.136 31.257 -6.753 1.00 34.42 N flip ATOM 0 H HIS A 112 -2.253 28.630 -7.915 1.00 74.41 H new ATOM 0 HA HIS A 112 -0.639 29.732 -10.120 1.00 34.41 H new ATOM 0 HB2 HIS A 112 -0.090 27.406 -8.239 1.00 24.03 H new ATOM 0 HB3 HIS A 112 1.042 28.122 -9.370 1.00 24.03 H new ATOM 0 HD1 HIS A 112 1.127 28.195 -5.910 1.00 63.32 H new ATOM 0 HD2 HIS A 112 0.448 31.178 -8.774 1.00 52.42 H new ATOM 0 HE1 HIS A 112 1.707 30.500 -4.838 1.00 62.44 H new ATOM 1736 N VAL A 113 -2.100 26.767 -10.031 1.00 52.22 N ATOM 1737 CA VAL A 113 -2.583 25.674 -10.867 1.00 1.50 C ATOM 1738 C VAL A 113 -4.018 25.920 -11.318 1.00 14.31 C ATOM 1739 O VAL A 113 -4.424 25.489 -12.396 1.00 60.22 O ATOM 1740 CB VAL A 113 -2.513 24.327 -10.124 1.00 74.13 C ATOM 1741 CG1 VAL A 113 -2.616 23.170 -11.106 1.00 74.14 C ATOM 1742 CG2 VAL A 113 -1.232 24.233 -9.310 1.00 41.30 C ATOM 0 H VAL A 113 -2.336 26.678 -9.043 1.00 52.22 H new ATOM 0 HA VAL A 113 -1.933 25.632 -11.741 1.00 1.50 H new ATOM 0 HB VAL A 113 -3.357 24.266 -9.437 1.00 74.13 H new ATOM 0 HG11 VAL A 113 -2.565 22.226 -10.563 1.00 74.14 H new ATOM 0 HG12 VAL A 113 -3.564 23.230 -11.641 1.00 74.14 H new ATOM 0 HG13 VAL A 113 -1.793 23.224 -11.819 1.00 74.14 H new ATOM 0 HG21 VAL A 113 -1.200 23.275 -8.792 1.00 41.30 H new ATOM 0 HG22 VAL A 113 -0.372 24.315 -9.974 1.00 41.30 H new ATOM 0 HG23 VAL A 113 -1.205 25.042 -8.579 1.00 41.30 H new ATOM 1752 N GLY A 114 -4.784 26.618 -10.484 1.00 22.00 N ATOM 1753 CA GLY A 114 -6.166 26.910 -10.814 1.00 74.15 C ATOM 1754 C GLY A 114 -6.298 28.053 -11.802 1.00 24.42 C ATOM 1755 O GLY A 114 -7.376 28.293 -12.343 1.00 13.31 O ATOM 0 H GLY A 114 -4.471 26.986 -9.586 1.00 22.00 H new ATOM 0 HA2 GLY A 114 -6.633 26.018 -11.231 1.00 74.15 H new ATOM 0 HA3 GLY A 114 -6.709 27.158 -9.902 1.00 74.15 H new ATOM 1759 N ALA A 115 -5.197 28.760 -12.036 1.00 21.41 N ATOM 1760 CA ALA A 115 -5.194 29.883 -12.965 1.00 23.12 C ATOM 1761 C ALA A 115 -6.471 30.705 -12.836 1.00 53.32 C ATOM 1762 O ALA A 115 -7.020 31.181 -13.831 1.00 64.43 O ATOM 1763 CB ALA A 115 -5.025 29.386 -14.393 1.00 41.21 C ATOM 0 H ALA A 115 -4.296 28.575 -11.595 1.00 21.41 H new ATOM 0 HA ALA A 115 -4.352 30.528 -12.715 1.00 23.12 H new ATOM 0 HB1 ALA A 115 -5.025 30.235 -15.076 1.00 41.21 H new ATOM 0 HB2 ALA A 115 -4.081 28.848 -14.482 1.00 41.21 H new ATOM 0 HB3 ALA A 115 -5.848 28.718 -14.645 1.00 41.21 H new