USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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 52 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00311) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -153:sc= -0.104 (180deg=-0.826) USER MOD Set 2.2: A 36 ASN : amide:sc= -1.53 K(o=-1.4,f=-0.054) USER MOD Set 2.3: A 39 SER OG : rot 180:sc= 0.226 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.108) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.000959 X(o=-0.00096,f=-0.00062) USER MOD Single : A 5 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.021) USER MOD Single : A 6 HIS : no HD1:sc= -0.871 K(o=-0.87,f=-1.7) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -3.18 K(o=-3.2,f=-0.032) USER MOD Single : A 12 THR OG1 : rot -38:sc=-0.00293! USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.335) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 28 THR OG1 : rot 167:sc= 0.24 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 131:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 15:sc= 1.26 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -11.5! C(o=-11!,f=-18!) USER MOD Single : A 43 THR OG1 : rot 40:sc= 1.05 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -111:sc= 0.113 (180deg=-0.318) USER MOD Single : A 64 ASN : amide:sc= -2.58! K(o=-2.6!,f=-0.22) USER MOD Single : A 65 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.883 -0.568 -6.407 1.00 52.34 N ATOM 2 CA MET A 1 1.113 0.636 -6.698 1.00 43.44 C ATOM 3 C MET A 1 1.992 1.698 -7.353 1.00 13.13 C ATOM 4 O MET A 1 2.315 2.715 -6.738 1.00 51.35 O ATOM 5 CB MET A 1 0.491 1.192 -5.416 1.00 50.10 C ATOM 6 CG MET A 1 -0.668 0.360 -4.893 1.00 33.32 C ATOM 7 SD MET A 1 -0.778 0.375 -3.093 1.00 64.41 S ATOM 8 CE MET A 1 -2.264 -0.591 -2.836 1.00 53.32 C ATOM 0 H1 MET A 1 1.234 -1.363 -6.237 1.00 52.34 H new ATOM 0 H2 MET A 1 2.498 -0.790 -7.215 1.00 52.34 H new ATOM 0 H3 MET A 1 2.467 -0.411 -5.561 1.00 52.34 H new ATOM 0 HA MET A 1 0.317 0.369 -7.393 1.00 43.44 H new ATOM 0 HB2 MET A 1 1.260 1.254 -4.646 1.00 50.10 H new ATOM 0 HB3 MET A 1 0.143 2.208 -5.602 1.00 50.10 H new ATOM 0 HG2 MET A 1 -1.600 0.738 -5.313 1.00 33.32 H new ATOM 0 HG3 MET A 1 -0.557 -0.668 -5.238 1.00 33.32 H new ATOM 0 HE1 MET A 1 -2.465 -0.672 -1.768 1.00 53.32 H new ATOM 0 HE2 MET A 1 -3.105 -0.103 -3.328 1.00 53.32 H new ATOM 0 HE3 MET A 1 -2.127 -1.588 -3.256 1.00 53.32 H new ATOM 18 N HIS A 2 2.375 1.455 -8.602 1.00 23.20 N ATOM 19 CA HIS A 2 3.216 2.391 -9.339 1.00 65.24 C ATOM 20 C HIS A 2 2.486 3.710 -9.572 1.00 44.12 C ATOM 21 O HIS A 2 2.813 4.728 -8.962 1.00 1.44 O ATOM 22 CB HIS A 2 3.638 1.785 -10.678 1.00 61.42 C ATOM 23 CG HIS A 2 5.007 1.176 -10.656 1.00 15.21 C ATOM 24 ND1 HIS A 2 6.016 1.563 -11.512 1.00 20.30 N ATOM 25 CD2 HIS A 2 5.531 0.204 -9.873 1.00 14.51 C ATOM 26 CE1 HIS A 2 7.101 0.854 -11.258 1.00 24.32 C ATOM 27 NE2 HIS A 2 6.833 0.022 -10.267 1.00 4.41 N ATOM 0 H HIS A 2 2.117 0.618 -9.125 1.00 23.20 H new ATOM 0 HA HIS A 2 4.106 2.589 -8.742 1.00 65.24 H new ATOM 0 HB2 HIS A 2 2.915 1.022 -10.966 1.00 61.42 H new ATOM 0 HB3 HIS A 2 3.606 2.560 -11.444 1.00 61.42 H new ATOM 0 HD2 HIS A 2 5.020 -0.329 -9.085 1.00 14.51 H new ATOM 0 HE1 HIS A 2 8.047 0.940 -11.773 1.00 24.32 H new ATOM 0 HE2 HIS A 2 7.487 -0.647 -9.861 1.00 4.41 H new ATOM 35 N HIS A 3 1.497 3.685 -10.460 1.00 21.13 N ATOM 36 CA HIS A 3 0.721 4.879 -10.773 1.00 52.33 C ATOM 37 C HIS A 3 1.632 6.016 -11.226 1.00 0.33 C ATOM 38 O HIS A 3 2.040 6.856 -10.422 1.00 61.33 O ATOM 39 CB HIS A 3 -0.095 5.317 -9.556 1.00 42.24 C ATOM 40 CG HIS A 3 -1.016 4.256 -9.039 1.00 71.43 C ATOM 41 ND1 HIS A 3 -1.938 3.607 -9.834 1.00 30.05 N ATOM 42 CD2 HIS A 3 -1.153 3.729 -7.800 1.00 22.11 C ATOM 43 CE1 HIS A 3 -2.603 2.729 -9.105 1.00 31.53 C ATOM 44 NE2 HIS A 3 -2.145 2.782 -7.867 1.00 13.31 N ATOM 0 H HIS A 3 1.214 2.851 -10.975 1.00 21.13 H new ATOM 0 HA HIS A 3 0.040 4.636 -11.589 1.00 52.33 H new ATOM 0 HB2 HIS A 3 0.587 5.614 -8.759 1.00 42.24 H new ATOM 0 HB3 HIS A 3 -0.680 6.198 -9.819 1.00 42.24 H new ATOM 0 HD2 HIS A 3 -0.587 4.003 -6.922 1.00 22.11 H new ATOM 0 HE1 HIS A 3 -3.388 2.078 -9.461 1.00 31.53 H new ATOM 0 HE2 HIS A 3 -2.475 2.212 -7.088 1.00 13.31 H new ATOM 52 N HIS A 4 1.948 6.037 -12.517 1.00 22.03 N ATOM 53 CA HIS A 4 2.812 7.071 -13.076 1.00 13.12 C ATOM 54 C HIS A 4 2.494 7.306 -14.550 1.00 22.44 C ATOM 55 O HIS A 4 2.790 6.466 -15.400 1.00 61.32 O ATOM 56 CB HIS A 4 4.281 6.680 -12.914 1.00 41.35 C ATOM 57 CG HIS A 4 5.232 7.652 -13.543 1.00 73.02 C ATOM 58 ND1 HIS A 4 6.375 7.263 -14.208 1.00 62.13 N ATOM 59 CD2 HIS A 4 5.203 9.004 -13.607 1.00 33.31 C ATOM 60 CE1 HIS A 4 7.009 8.333 -14.652 1.00 44.34 C ATOM 61 NE2 HIS A 4 6.318 9.403 -14.301 1.00 64.31 N ATOM 0 H HIS A 4 1.619 5.350 -13.195 1.00 22.03 H new ATOM 0 HA HIS A 4 2.629 7.997 -12.531 1.00 13.12 H new ATOM 0 HB2 HIS A 4 4.511 6.595 -11.852 1.00 41.35 H new ATOM 0 HB3 HIS A 4 4.437 5.695 -13.354 1.00 41.35 H new ATOM 0 HD2 HIS A 4 4.444 9.649 -13.190 1.00 33.31 H new ATOM 0 HE1 HIS A 4 7.935 8.333 -15.208 1.00 44.34 H new ATOM 0 HE2 HIS A 4 6.572 10.368 -14.511 1.00 64.31 H new ATOM 69 N HIS A 5 1.890 8.452 -14.845 1.00 13.14 N ATOM 70 CA HIS A 5 1.532 8.797 -16.216 1.00 32.10 C ATOM 71 C HIS A 5 0.886 10.178 -16.278 1.00 73.41 C ATOM 72 O HIS A 5 0.751 10.858 -15.260 1.00 61.33 O ATOM 73 CB HIS A 5 0.581 7.749 -16.796 1.00 11.40 C ATOM 74 CG HIS A 5 -0.548 7.392 -15.879 1.00 11.30 C ATOM 75 ND1 HIS A 5 -0.808 6.101 -15.473 1.00 21.53 N ATOM 76 CD2 HIS A 5 -1.487 8.167 -15.287 1.00 50.33 C ATOM 77 CE1 HIS A 5 -1.859 6.096 -14.672 1.00 42.02 C ATOM 78 NE2 HIS A 5 -2.289 7.338 -14.543 1.00 35.10 N ATOM 0 H HIS A 5 1.638 9.158 -14.153 1.00 13.14 H new ATOM 0 HA HIS A 5 2.446 8.816 -16.810 1.00 32.10 H new ATOM 0 HB2 HIS A 5 0.172 8.122 -17.735 1.00 11.40 H new ATOM 0 HB3 HIS A 5 1.147 6.847 -17.031 1.00 11.40 H new ATOM 0 HD2 HIS A 5 -1.587 9.238 -15.382 1.00 50.33 H new ATOM 0 HE1 HIS A 5 -2.292 5.225 -14.203 1.00 42.02 H new ATOM 0 HE2 HIS A 5 -3.088 7.633 -13.981 1.00 35.10 H new ATOM 86 N HIS A 6 0.488 10.586 -17.479 1.00 2.31 N ATOM 87 CA HIS A 6 -0.144 11.886 -17.674 1.00 3.44 C ATOM 88 C HIS A 6 0.817 13.016 -17.316 1.00 10.41 C ATOM 89 O HIS A 6 1.993 12.780 -17.038 1.00 43.54 O ATOM 90 CB HIS A 6 -1.412 11.992 -16.827 1.00 12.44 C ATOM 91 CG HIS A 6 -2.654 12.220 -17.633 1.00 4.20 C ATOM 92 ND1 HIS A 6 -3.548 11.216 -17.937 1.00 14.10 N ATOM 93 CD2 HIS A 6 -3.148 13.347 -18.198 1.00 31.52 C ATOM 94 CE1 HIS A 6 -4.539 11.714 -18.655 1.00 43.54 C ATOM 95 NE2 HIS A 6 -4.320 13.006 -18.827 1.00 61.34 N ATOM 0 H HIS A 6 0.592 10.035 -18.331 1.00 2.31 H new ATOM 0 HA HIS A 6 -0.411 11.979 -18.727 1.00 3.44 H new ATOM 0 HB2 HIS A 6 -1.529 11.077 -16.246 1.00 12.44 H new ATOM 0 HB3 HIS A 6 -1.296 12.809 -16.115 1.00 12.44 H new ATOM 0 HD2 HIS A 6 -2.703 14.330 -18.161 1.00 31.52 H new ATOM 0 HE1 HIS A 6 -5.384 11.160 -19.036 1.00 43.54 H new ATOM 0 HE2 HIS A 6 -4.924 13.646 -19.343 1.00 61.34 H new ATOM 103 N HIS A 7 0.308 14.244 -17.325 1.00 42.51 N ATOM 104 CA HIS A 7 1.121 15.411 -17.002 1.00 4.32 C ATOM 105 C HIS A 7 1.591 15.361 -15.551 1.00 13.31 C ATOM 106 O HIS A 7 2.755 15.074 -15.276 1.00 20.24 O ATOM 107 CB HIS A 7 0.330 16.696 -17.250 1.00 32.41 C ATOM 108 CG HIS A 7 0.363 17.154 -18.675 1.00 64.04 C ATOM 109 ND1 HIS A 7 0.956 18.334 -19.073 1.00 11.13 N ATOM 110 CD2 HIS A 7 -0.125 16.582 -19.801 1.00 11.51 C ATOM 111 CE1 HIS A 7 0.829 18.469 -20.381 1.00 13.44 C ATOM 112 NE2 HIS A 7 0.177 17.420 -20.847 1.00 32.42 N ATOM 0 H HIS A 7 -0.663 14.457 -17.552 1.00 42.51 H new ATOM 0 HA HIS A 7 1.997 15.403 -17.650 1.00 4.32 H new ATOM 0 HB2 HIS A 7 -0.706 16.538 -16.952 1.00 32.41 H new ATOM 0 HB3 HIS A 7 0.728 17.486 -16.614 1.00 32.41 H new ATOM 0 HD2 HIS A 7 -0.653 15.642 -19.865 1.00 11.51 H new ATOM 0 HE1 HIS A 7 1.196 19.297 -20.969 1.00 13.44 H new ATOM 0 HE2 HIS A 7 -0.064 17.258 -21.825 1.00 32.42 H new ATOM 120 N GLU A 8 0.677 15.644 -14.628 1.00 75.11 N ATOM 121 CA GLU A 8 0.999 15.632 -13.206 1.00 14.40 C ATOM 122 C GLU A 8 -0.188 15.138 -12.383 1.00 63.34 C ATOM 123 O GLU A 8 -0.529 15.720 -11.354 1.00 33.54 O ATOM 124 CB GLU A 8 1.407 17.032 -12.742 1.00 22.15 C ATOM 125 CG GLU A 8 2.840 17.395 -13.092 1.00 43.31 C ATOM 126 CD GLU A 8 2.925 18.490 -14.138 1.00 64.44 C ATOM 127 OE1 GLU A 8 2.405 18.284 -15.255 1.00 30.41 O ATOM 128 OE2 GLU A 8 3.512 19.551 -13.841 1.00 40.03 O ATOM 0 H GLU A 8 -0.292 15.884 -14.839 1.00 75.11 H new ATOM 0 HA GLU A 8 1.834 14.948 -13.054 1.00 14.40 H new ATOM 0 HB2 GLU A 8 0.736 17.764 -13.190 1.00 22.15 H new ATOM 0 HB3 GLU A 8 1.277 17.100 -11.662 1.00 22.15 H new ATOM 0 HG2 GLU A 8 3.360 17.718 -12.190 1.00 43.31 H new ATOM 0 HG3 GLU A 8 3.357 16.508 -13.457 1.00 43.31 H new ATOM 135 N VAL A 9 -0.813 14.060 -12.846 1.00 63.41 N ATOM 136 CA VAL A 9 -1.960 13.485 -12.154 1.00 55.42 C ATOM 137 C VAL A 9 -1.887 11.963 -12.138 1.00 30.20 C ATOM 138 O VAL A 9 -2.706 11.270 -12.742 1.00 53.54 O ATOM 139 CB VAL A 9 -3.285 13.918 -12.810 1.00 72.43 C ATOM 140 CG1 VAL A 9 -4.471 13.412 -12.003 1.00 11.00 C ATOM 141 CG2 VAL A 9 -3.337 15.431 -12.959 1.00 30.32 C ATOM 0 H VAL A 9 -0.544 13.567 -13.698 1.00 63.41 H new ATOM 0 HA VAL A 9 -1.931 13.857 -11.130 1.00 55.42 H new ATOM 0 HB VAL A 9 -3.339 13.476 -13.805 1.00 72.43 H new ATOM 0 HG11 VAL A 9 -5.398 13.728 -12.482 1.00 11.00 H new ATOM 0 HG12 VAL A 9 -4.440 12.324 -11.954 1.00 11.00 H new ATOM 0 HG13 VAL A 9 -4.426 13.822 -10.994 1.00 11.00 H new ATOM 0 HG21 VAL A 9 -4.280 15.719 -13.424 1.00 30.32 H new ATOM 0 HG22 VAL A 9 -3.260 15.896 -11.976 1.00 30.32 H new ATOM 0 HG23 VAL A 9 -2.508 15.764 -13.584 1.00 30.32 H new ATOM 151 N PRO A 10 -0.882 11.426 -11.429 1.00 54.44 N ATOM 152 CA PRO A 10 -0.678 9.979 -11.316 1.00 51.21 C ATOM 153 C PRO A 10 -1.759 9.305 -10.478 1.00 72.04 C ATOM 154 O PRO A 10 -1.474 8.727 -9.430 1.00 2.41 O ATOM 155 CB PRO A 10 0.683 9.866 -10.624 1.00 53.13 C ATOM 156 CG PRO A 10 0.829 11.140 -9.866 1.00 1.10 C ATOM 157 CD PRO A 10 0.131 12.191 -10.684 1.00 1.42 C ATOM 0 HA PRO A 10 -0.721 9.484 -12.286 1.00 51.21 H new ATOM 0 HB2 PRO A 10 0.719 9.003 -9.959 1.00 53.13 H new ATOM 0 HB3 PRO A 10 1.487 9.743 -11.349 1.00 53.13 H new ATOM 0 HG2 PRO A 10 0.383 11.057 -8.875 1.00 1.10 H new ATOM 0 HG3 PRO A 10 1.880 11.391 -9.723 1.00 1.10 H new ATOM 0 HD2 PRO A 10 -0.325 12.954 -10.053 1.00 1.42 H new ATOM 0 HD3 PRO A 10 0.821 12.703 -11.354 1.00 1.42 H new ATOM 165 N GLN A 11 -3.000 9.382 -10.948 1.00 50.55 N ATOM 166 CA GLN A 11 -4.123 8.779 -10.241 1.00 54.23 C ATOM 167 C GLN A 11 -5.158 8.239 -11.223 1.00 40.10 C ATOM 168 O GLN A 11 -5.711 7.156 -11.027 1.00 1.35 O ATOM 169 CB GLN A 11 -4.774 9.802 -9.308 1.00 21.54 C ATOM 170 CG GLN A 11 -3.942 10.115 -8.075 1.00 2.23 C ATOM 171 CD GLN A 11 -3.396 11.530 -8.083 1.00 73.41 C ATOM 172 OE1 GLN A 11 -3.426 12.225 -7.067 1.00 73.03 O ATOM 173 NE2 GLN A 11 -2.893 11.964 -9.233 1.00 34.41 N ATOM 0 H GLN A 11 -3.253 9.856 -11.815 1.00 50.55 H new ATOM 0 HA GLN A 11 -3.742 7.947 -9.648 1.00 54.23 H new ATOM 0 HB2 GLN A 11 -4.951 10.725 -9.861 1.00 21.54 H new ATOM 0 HB3 GLN A 11 -5.748 9.427 -8.994 1.00 21.54 H new ATOM 0 HG2 GLN A 11 -4.552 9.970 -7.183 1.00 2.23 H new ATOM 0 HG3 GLN A 11 -3.113 9.410 -8.012 1.00 2.23 H new ATOM 0 HE21 GLN A 11 -2.888 11.354 -10.050 1.00 34.41 H new ATOM 0 HE22 GLN A 11 -2.511 12.908 -9.299 1.00 34.41 H new ATOM 182 N THR A 12 -5.416 9.001 -12.282 1.00 34.24 N ATOM 183 CA THR A 12 -6.386 8.600 -13.293 1.00 64.35 C ATOM 184 C THR A 12 -6.193 9.390 -14.583 1.00 31.31 C ATOM 185 O THR A 12 -5.945 8.815 -15.643 1.00 52.44 O ATOM 186 CB THR A 12 -7.830 8.795 -12.796 1.00 73.11 C ATOM 187 OG1 THR A 12 -7.925 8.437 -11.413 1.00 2.22 O ATOM 188 CG2 THR A 12 -8.801 7.953 -13.610 1.00 53.12 C ATOM 0 H THR A 12 -4.967 9.899 -12.461 1.00 34.24 H new ATOM 0 HA THR A 12 -6.218 7.541 -13.489 1.00 64.35 H new ATOM 0 HB THR A 12 -8.094 9.846 -12.918 1.00 73.11 H new ATOM 0 HG1 THR A 12 -7.366 7.651 -11.239 1.00 2.22 H new ATOM 0 HG21 THR A 12 -9.815 8.107 -13.240 1.00 53.12 H new ATOM 0 HG22 THR A 12 -8.748 8.248 -14.658 1.00 53.12 H new ATOM 0 HG23 THR A 12 -8.537 6.900 -13.516 1.00 53.12 H new ATOM 196 N PHE A 13 -6.308 10.710 -14.485 1.00 60.02 N ATOM 197 CA PHE A 13 -6.147 11.579 -15.645 1.00 4.31 C ATOM 198 C PHE A 13 -6.320 13.044 -15.255 1.00 3.23 C ATOM 199 O PHE A 13 -6.490 13.368 -14.080 1.00 24.12 O ATOM 200 CB PHE A 13 -7.156 11.207 -16.733 1.00 33.35 C ATOM 201 CG PHE A 13 -8.563 11.069 -16.223 1.00 64.02 C ATOM 202 CD1 PHE A 13 -9.253 12.173 -15.749 1.00 71.32 C ATOM 203 CD2 PHE A 13 -9.194 9.835 -16.218 1.00 3.52 C ATOM 204 CE1 PHE A 13 -10.547 12.049 -15.280 1.00 54.51 C ATOM 205 CE2 PHE A 13 -10.488 9.706 -15.750 1.00 41.34 C ATOM 206 CZ PHE A 13 -11.165 10.814 -15.280 1.00 12.32 C ATOM 0 H PHE A 13 -6.512 11.201 -13.615 1.00 60.02 H new ATOM 0 HA PHE A 13 -5.138 11.441 -16.033 1.00 4.31 H new ATOM 0 HB2 PHE A 13 -7.134 11.967 -17.514 1.00 33.35 H new ATOM 0 HB3 PHE A 13 -6.851 10.268 -17.194 1.00 33.35 H new ATOM 0 HD1 PHE A 13 -8.774 13.141 -15.746 1.00 71.32 H new ATOM 0 HD2 PHE A 13 -8.669 8.965 -16.584 1.00 3.52 H new ATOM 0 HE1 PHE A 13 -11.075 12.917 -14.914 1.00 54.51 H new ATOM 0 HE2 PHE A 13 -10.969 8.739 -15.752 1.00 41.34 H new ATOM 0 HZ PHE A 13 -12.176 10.715 -14.913 1.00 12.32 H new ATOM 216 N GLU A 14 -6.274 13.925 -16.250 1.00 34.24 N ATOM 217 CA GLU A 14 -6.425 15.355 -16.010 1.00 44.32 C ATOM 218 C GLU A 14 -7.657 15.900 -16.727 1.00 1.44 C ATOM 219 O GLU A 14 -8.177 15.277 -17.652 1.00 12.20 O ATOM 220 CB GLU A 14 -5.176 16.107 -16.476 1.00 70.03 C ATOM 221 CG GLU A 14 -4.609 17.052 -15.430 1.00 65.14 C ATOM 222 CD GLU A 14 -4.625 18.499 -15.882 1.00 14.54 C ATOM 223 OE1 GLU A 14 -3.830 18.852 -16.777 1.00 63.30 O ATOM 224 OE2 GLU A 14 -5.435 19.280 -15.339 1.00 12.04 O ATOM 0 H GLU A 14 -6.134 13.674 -17.228 1.00 34.24 H new ATOM 0 HA GLU A 14 -6.553 15.506 -14.938 1.00 44.32 H new ATOM 0 HB2 GLU A 14 -4.409 15.384 -16.754 1.00 70.03 H new ATOM 0 HB3 GLU A 14 -5.418 16.675 -17.374 1.00 70.03 H new ATOM 0 HG2 GLU A 14 -5.184 16.956 -14.509 1.00 65.14 H new ATOM 0 HG3 GLU A 14 -3.585 16.759 -15.198 1.00 65.14 H new ATOM 231 N VAL A 15 -8.119 17.068 -16.291 1.00 50.22 N ATOM 232 CA VAL A 15 -9.289 17.699 -16.890 1.00 74.51 C ATOM 233 C VAL A 15 -8.947 19.076 -17.448 1.00 31.52 C ATOM 234 O VAL A 15 -8.104 19.785 -16.900 1.00 62.05 O ATOM 235 CB VAL A 15 -10.434 17.840 -15.870 1.00 15.22 C ATOM 236 CG1 VAL A 15 -11.647 18.494 -16.515 1.00 2.21 C ATOM 237 CG2 VAL A 15 -10.798 16.483 -15.286 1.00 0.43 C ATOM 0 H VAL A 15 -7.701 17.596 -15.525 1.00 50.22 H new ATOM 0 HA VAL A 15 -9.615 17.052 -17.704 1.00 74.51 H new ATOM 0 HB VAL A 15 -10.095 18.481 -15.056 1.00 15.22 H new ATOM 0 HG11 VAL A 15 -12.446 18.585 -15.779 1.00 2.21 H new ATOM 0 HG12 VAL A 15 -11.375 19.484 -16.880 1.00 2.21 H new ATOM 0 HG13 VAL A 15 -11.990 17.882 -17.349 1.00 2.21 H new ATOM 0 HG21 VAL A 15 -11.609 16.602 -14.567 1.00 0.43 H new ATOM 0 HG22 VAL A 15 -11.118 15.816 -16.087 1.00 0.43 H new ATOM 0 HG23 VAL A 15 -9.929 16.057 -14.785 1.00 0.43 H new ATOM 247 N GLU A 16 -9.608 19.447 -18.540 1.00 21.31 N ATOM 248 CA GLU A 16 -9.373 20.740 -19.172 1.00 24.32 C ATOM 249 C GLU A 16 -9.649 21.880 -18.197 1.00 11.35 C ATOM 250 O GLU A 16 -8.732 22.583 -17.770 1.00 73.25 O ATOM 251 CB GLU A 16 -10.252 20.892 -20.415 1.00 2.32 C ATOM 252 CG GLU A 16 -9.466 20.943 -21.714 1.00 4.10 C ATOM 253 CD GLU A 16 -9.084 22.356 -22.110 1.00 3.11 C ATOM 254 OE1 GLU A 16 -8.651 23.124 -21.226 1.00 10.33 O ATOM 255 OE2 GLU A 16 -9.217 22.693 -23.305 1.00 55.31 O ATOM 0 H GLU A 16 -10.310 18.871 -19.005 1.00 21.31 H new ATOM 0 HA GLU A 16 -8.325 20.786 -19.469 1.00 24.32 H new ATOM 0 HB2 GLU A 16 -10.954 20.059 -20.457 1.00 2.32 H new ATOM 0 HB3 GLU A 16 -10.844 21.803 -20.322 1.00 2.32 H new ATOM 0 HG2 GLU A 16 -8.563 20.342 -21.611 1.00 4.10 H new ATOM 0 HG3 GLU A 16 -10.059 20.494 -22.511 1.00 4.10 H new ATOM 262 N ARG A 17 -10.919 22.058 -17.848 1.00 53.11 N ATOM 263 CA ARG A 17 -11.318 23.114 -16.925 1.00 24.10 C ATOM 264 C ARG A 17 -12.802 23.009 -16.586 1.00 63.34 C ATOM 265 O ARG A 17 -13.553 22.301 -17.258 1.00 41.12 O ATOM 266 CB ARG A 17 -11.017 24.488 -17.527 1.00 71.44 C ATOM 267 CG ARG A 17 -12.164 25.058 -18.346 1.00 62.41 C ATOM 268 CD ARG A 17 -12.558 24.123 -19.479 1.00 35.44 C ATOM 269 NE ARG A 17 -12.873 24.851 -20.705 1.00 64.41 N ATOM 270 CZ ARG A 17 -11.951 25.290 -21.555 1.00 54.41 C ATOM 271 NH1 ARG A 17 -10.665 25.077 -21.313 1.00 74.31 N ATOM 272 NH2 ARG A 17 -12.316 25.945 -22.650 1.00 41.02 N ATOM 0 H ARG A 17 -11.690 21.484 -18.191 1.00 53.11 H new ATOM 0 HA ARG A 17 -10.744 22.994 -16.006 1.00 24.10 H new ATOM 0 HB2 ARG A 17 -10.775 25.183 -16.723 1.00 71.44 H new ATOM 0 HB3 ARG A 17 -10.132 24.413 -18.159 1.00 71.44 H new ATOM 0 HG2 ARG A 17 -13.024 25.230 -17.699 1.00 62.41 H new ATOM 0 HG3 ARG A 17 -11.874 26.026 -18.755 1.00 62.41 H new ATOM 0 HD2 ARG A 17 -11.744 23.424 -19.672 1.00 35.44 H new ATOM 0 HD3 ARG A 17 -13.422 23.531 -19.177 1.00 35.44 H new ATOM 0 HE ARG A 17 -13.853 25.032 -20.920 1.00 64.41 H new ATOM 0 HH11 ARG A 17 -10.381 24.575 -20.472 1.00 74.31 H new ATOM 0 HH12 ARG A 17 -9.960 25.415 -21.968 1.00 74.31 H new ATOM 0 HH21 ARG A 17 -13.304 26.111 -22.839 1.00 41.02 H new ATOM 0 HH22 ARG A 17 -11.608 26.282 -23.302 1.00 41.02 H new ATOM 286 N ILE A 18 -13.216 23.716 -15.541 1.00 54.41 N ATOM 287 CA ILE A 18 -14.610 23.703 -15.114 1.00 70.23 C ATOM 288 C ILE A 18 -15.499 24.433 -16.115 1.00 43.14 C ATOM 289 O ILE A 18 -15.390 25.647 -16.289 1.00 4.01 O ATOM 290 CB ILE A 18 -14.780 24.349 -13.727 1.00 13.12 C ATOM 291 CG1 ILE A 18 -13.828 23.703 -12.719 1.00 22.23 C ATOM 292 CG2 ILE A 18 -16.222 24.224 -13.257 1.00 61.43 C ATOM 293 CD1 ILE A 18 -14.365 22.425 -12.113 1.00 60.14 C ATOM 0 H ILE A 18 -12.606 24.305 -14.974 1.00 54.41 H new ATOM 0 HA ILE A 18 -14.913 22.657 -15.058 1.00 70.23 H new ATOM 0 HB ILE A 18 -14.534 25.408 -13.804 1.00 13.12 H new ATOM 0 HG12 ILE A 18 -12.879 23.491 -13.212 1.00 22.23 H new ATOM 0 HG13 ILE A 18 -13.620 24.415 -11.920 1.00 22.23 H new ATOM 0 HG21 ILE A 18 -16.326 24.685 -12.275 1.00 61.43 H new ATOM 0 HG22 ILE A 18 -16.880 24.726 -13.966 1.00 61.43 H new ATOM 0 HG23 ILE A 18 -16.494 23.170 -13.193 1.00 61.43 H new ATOM 0 HD11 ILE A 18 -13.637 22.023 -11.408 1.00 60.14 H new ATOM 0 HD12 ILE A 18 -15.299 22.634 -11.591 1.00 60.14 H new ATOM 0 HD13 ILE A 18 -14.546 21.696 -12.903 1.00 60.14 H new ATOM 305 N VAL A 19 -16.380 23.685 -16.771 1.00 54.35 N ATOM 306 CA VAL A 19 -17.291 24.262 -17.754 1.00 20.54 C ATOM 307 C VAL A 19 -18.186 25.319 -17.119 1.00 13.54 C ATOM 308 O VAL A 19 -18.177 26.481 -17.526 1.00 41.20 O ATOM 309 CB VAL A 19 -18.174 23.180 -18.403 1.00 33.53 C ATOM 310 CG1 VAL A 19 -18.929 23.750 -19.593 1.00 55.05 C ATOM 311 CG2 VAL A 19 -17.332 21.983 -18.819 1.00 4.32 C ATOM 0 H VAL A 19 -16.483 22.679 -16.640 1.00 54.35 H new ATOM 0 HA VAL A 19 -16.674 24.727 -18.523 1.00 20.54 H new ATOM 0 HB VAL A 19 -18.904 22.843 -17.667 1.00 33.53 H new ATOM 0 HG11 VAL A 19 -19.547 22.971 -20.039 1.00 55.05 H new ATOM 0 HG12 VAL A 19 -19.564 24.572 -19.261 1.00 55.05 H new ATOM 0 HG13 VAL A 19 -18.218 24.117 -20.333 1.00 55.05 H new ATOM 0 HG21 VAL A 19 -17.973 21.229 -19.276 1.00 4.32 H new ATOM 0 HG22 VAL A 19 -16.577 22.301 -19.538 1.00 4.32 H new ATOM 0 HG23 VAL A 19 -16.842 21.560 -17.942 1.00 4.32 H new ATOM 321 N ARG A 20 -18.959 24.910 -16.118 1.00 20.40 N ATOM 322 CA ARG A 20 -19.861 25.822 -15.426 1.00 55.24 C ATOM 323 C ARG A 20 -20.211 25.293 -14.039 1.00 34.04 C ATOM 324 O ARG A 20 -19.626 24.318 -13.568 1.00 25.30 O ATOM 325 CB ARG A 20 -21.139 26.027 -16.243 1.00 22.40 C ATOM 326 CG ARG A 20 -21.903 24.740 -16.511 1.00 3.21 C ATOM 327 CD ARG A 20 -21.603 24.193 -17.897 1.00 63.45 C ATOM 328 NE ARG A 20 -22.809 24.074 -18.712 1.00 32.11 N ATOM 329 CZ ARG A 20 -23.345 25.087 -19.384 1.00 64.22 C ATOM 330 NH1 ARG A 20 -22.783 26.287 -19.340 1.00 20.03 N ATOM 331 NH2 ARG A 20 -24.444 24.900 -20.103 1.00 61.05 N ATOM 0 H ARG A 20 -18.978 23.952 -15.768 1.00 20.40 H new ATOM 0 HA ARG A 20 -19.352 26.779 -15.313 1.00 55.24 H new ATOM 0 HB2 ARG A 20 -21.790 26.723 -15.715 1.00 22.40 H new ATOM 0 HB3 ARG A 20 -20.881 26.492 -17.195 1.00 22.40 H new ATOM 0 HG2 ARG A 20 -21.639 23.996 -15.760 1.00 3.21 H new ATOM 0 HG3 ARG A 20 -22.973 24.924 -16.415 1.00 3.21 H new ATOM 0 HD2 ARG A 20 -20.890 24.848 -18.398 1.00 63.45 H new ATOM 0 HD3 ARG A 20 -21.129 23.216 -17.806 1.00 63.45 H new ATOM 0 HE ARG A 20 -23.265 23.163 -18.768 1.00 32.11 H new ATOM 0 HH11 ARG A 20 -21.937 26.434 -18.789 1.00 20.03 H new ATOM 0 HH12 ARG A 20 -23.196 27.063 -19.857 1.00 20.03 H new ATOM 0 HH21 ARG A 20 -24.878 23.978 -20.140 1.00 61.05 H new ATOM 0 HH22 ARG A 20 -24.855 25.678 -20.619 1.00 61.05 H new ATOM 345 N LYS A 21 -21.170 25.943 -13.388 1.00 11.14 N ATOM 346 CA LYS A 21 -21.600 25.539 -12.054 1.00 63.12 C ATOM 347 C LYS A 21 -23.034 25.985 -11.786 1.00 64.01 C ATOM 348 O LYS A 21 -23.527 26.929 -12.404 1.00 72.51 O ATOM 349 CB LYS A 21 -20.665 26.127 -10.995 1.00 20.13 C ATOM 350 CG LYS A 21 -20.819 27.627 -10.813 1.00 21.13 C ATOM 351 CD LYS A 21 -20.169 28.102 -9.524 1.00 62.01 C ATOM 352 CE LYS A 21 -21.033 29.130 -8.810 1.00 21.11 C ATOM 353 NZ LYS A 21 -21.451 30.232 -9.720 1.00 72.43 N ATOM 0 H LYS A 21 -21.665 26.752 -13.763 1.00 11.14 H new ATOM 0 HA LYS A 21 -21.561 24.451 -12.001 1.00 63.12 H new ATOM 0 HB2 LYS A 21 -20.853 25.633 -10.042 1.00 20.13 H new ATOM 0 HB3 LYS A 21 -19.634 25.907 -11.270 1.00 20.13 H new ATOM 0 HG2 LYS A 21 -20.370 28.145 -11.660 1.00 21.13 H new ATOM 0 HG3 LYS A 21 -21.878 27.887 -10.805 1.00 21.13 H new ATOM 0 HD2 LYS A 21 -19.997 27.250 -8.866 1.00 62.01 H new ATOM 0 HD3 LYS A 21 -19.194 28.536 -9.745 1.00 62.01 H new ATOM 0 HE2 LYS A 21 -21.918 28.641 -8.402 1.00 21.11 H new ATOM 0 HE3 LYS A 21 -20.481 29.545 -7.967 1.00 21.11 H new ATOM 0 HZ1 LYS A 21 -21.669 31.081 -9.160 1.00 72.43 H new ATOM 0 HZ2 LYS A 21 -20.680 30.444 -10.385 1.00 72.43 H new ATOM 0 HZ3 LYS A 21 -22.296 29.942 -10.251 1.00 72.43 H new ATOM 367 N LYS A 22 -23.698 25.302 -10.860 1.00 25.30 N ATOM 368 CA LYS A 22 -25.074 25.629 -10.507 1.00 60.52 C ATOM 369 C LYS A 22 -25.525 24.837 -9.284 1.00 22.21 C ATOM 370 O LYS A 22 -25.145 23.679 -9.108 1.00 75.54 O ATOM 371 CB LYS A 22 -26.006 25.341 -11.686 1.00 74.21 C ATOM 372 CG LYS A 22 -26.267 23.861 -11.908 1.00 55.10 C ATOM 373 CD LYS A 22 -27.686 23.481 -11.520 1.00 34.23 C ATOM 374 CE LYS A 22 -28.553 23.234 -12.745 1.00 64.04 C ATOM 375 NZ LYS A 22 -29.990 23.510 -12.473 1.00 53.33 N ATOM 0 H LYS A 22 -23.305 24.518 -10.340 1.00 25.30 H new ATOM 0 HA LYS A 22 -25.119 26.691 -10.267 1.00 60.52 H new ATOM 0 HB2 LYS A 22 -26.956 25.848 -11.519 1.00 74.21 H new ATOM 0 HB3 LYS A 22 -25.573 25.765 -12.592 1.00 74.21 H new ATOM 0 HG2 LYS A 22 -26.097 23.614 -12.956 1.00 55.10 H new ATOM 0 HG3 LYS A 22 -25.559 23.274 -11.323 1.00 55.10 H new ATOM 0 HD2 LYS A 22 -27.667 22.585 -10.900 1.00 34.23 H new ATOM 0 HD3 LYS A 22 -28.125 24.276 -10.917 1.00 34.23 H new ATOM 0 HE2 LYS A 22 -28.211 23.865 -13.565 1.00 64.04 H new ATOM 0 HE3 LYS A 22 -28.437 22.200 -13.069 1.00 64.04 H new ATOM 0 HZ1 LYS A 22 -30.547 23.330 -13.333 1.00 53.33 H new ATOM 0 HZ2 LYS A 22 -30.324 22.890 -11.708 1.00 53.33 H new ATOM 0 HZ3 LYS A 22 -30.105 24.504 -12.188 1.00 53.33 H new ATOM 389 N ILE A 23 -26.336 25.468 -8.442 1.00 55.24 N ATOM 390 CA ILE A 23 -26.840 24.821 -7.237 1.00 74.15 C ATOM 391 C ILE A 23 -28.333 24.529 -7.353 1.00 43.33 C ATOM 392 O ILE A 23 -29.066 25.247 -8.034 1.00 64.11 O ATOM 393 CB ILE A 23 -26.594 25.687 -5.988 1.00 65.10 C ATOM 394 CG1 ILE A 23 -27.686 26.750 -5.853 1.00 71.52 C ATOM 395 CG2 ILE A 23 -25.220 26.337 -6.057 1.00 40.44 C ATOM 396 CD1 ILE A 23 -28.832 26.328 -4.961 1.00 33.23 C ATOM 0 H ILE A 23 -26.658 26.427 -8.572 1.00 55.24 H new ATOM 0 HA ILE A 23 -26.295 23.883 -7.132 1.00 74.15 H new ATOM 0 HB ILE A 23 -26.628 25.046 -5.107 1.00 65.10 H new ATOM 0 HG12 ILE A 23 -27.245 27.664 -5.456 1.00 71.52 H new ATOM 0 HG13 ILE A 23 -28.075 26.988 -6.843 1.00 71.52 H new ATOM 0 HG21 ILE A 23 -25.061 26.946 -5.167 1.00 40.44 H new ATOM 0 HG22 ILE A 23 -24.454 25.564 -6.109 1.00 40.44 H new ATOM 0 HG23 ILE A 23 -25.160 26.968 -6.944 1.00 40.44 H new ATOM 0 HD11 ILE A 23 -29.569 27.130 -4.911 1.00 33.23 H new ATOM 0 HD12 ILE A 23 -29.299 25.431 -5.368 1.00 33.23 H new ATOM 0 HD13 ILE A 23 -28.456 26.118 -3.960 1.00 33.23 H new ATOM 408 N VAL A 24 -28.777 23.472 -6.682 1.00 33.40 N ATOM 409 CA VAL A 24 -30.183 23.086 -6.707 1.00 31.03 C ATOM 410 C VAL A 24 -30.673 22.706 -5.314 1.00 14.10 C ATOM 411 O VAL A 24 -30.129 21.804 -4.677 1.00 23.02 O ATOM 412 CB VAL A 24 -30.424 21.904 -7.664 1.00 31.41 C ATOM 413 CG1 VAL A 24 -31.745 22.072 -8.399 1.00 42.44 C ATOM 414 CG2 VAL A 24 -29.270 21.771 -8.647 1.00 34.45 C ATOM 0 H VAL A 24 -28.184 22.867 -6.114 1.00 33.40 H new ATOM 0 HA VAL A 24 -30.742 23.951 -7.063 1.00 31.03 H new ATOM 0 HB VAL A 24 -30.478 20.988 -7.076 1.00 31.41 H new ATOM 0 HG11 VAL A 24 -31.898 21.227 -9.071 1.00 42.44 H new ATOM 0 HG12 VAL A 24 -32.560 22.114 -7.677 1.00 42.44 H new ATOM 0 HG13 VAL A 24 -31.725 22.996 -8.977 1.00 42.44 H new ATOM 0 HG21 VAL A 24 -29.457 20.931 -9.316 1.00 34.45 H new ATOM 0 HG22 VAL A 24 -29.182 22.687 -9.231 1.00 34.45 H new ATOM 0 HG23 VAL A 24 -28.343 21.600 -8.099 1.00 34.45 H new ATOM 424 N HIS A 25 -31.706 23.400 -4.846 1.00 51.24 N ATOM 425 CA HIS A 25 -32.272 23.135 -3.528 1.00 64.02 C ATOM 426 C HIS A 25 -31.211 23.287 -2.442 1.00 33.53 C ATOM 427 O HIS A 25 -31.337 22.724 -1.355 1.00 13.33 O ATOM 428 CB HIS A 25 -32.870 21.729 -3.480 1.00 72.14 C ATOM 429 CG HIS A 25 -34.172 21.657 -2.743 1.00 24.25 C ATOM 430 ND1 HIS A 25 -35.347 21.238 -3.329 1.00 52.53 N ATOM 431 CD2 HIS A 25 -34.478 21.951 -1.457 1.00 52.14 C ATOM 432 CE1 HIS A 25 -36.321 21.280 -2.438 1.00 10.34 C ATOM 433 NE2 HIS A 25 -35.820 21.709 -1.293 1.00 61.11 N ATOM 0 H HIS A 25 -32.168 24.150 -5.360 1.00 51.24 H new ATOM 0 HA HIS A 25 -33.062 23.864 -3.345 1.00 64.02 H new ATOM 0 HB2 HIS A 25 -33.018 21.371 -4.499 1.00 72.14 H new ATOM 0 HB3 HIS A 25 -32.156 21.055 -3.006 1.00 72.14 H new ATOM 0 HD2 HIS A 25 -33.794 22.309 -0.701 1.00 52.14 H new ATOM 0 HE1 HIS A 25 -37.352 21.010 -2.615 1.00 10.34 H new ATOM 0 HE2 HIS A 25 -36.345 21.839 -0.428 1.00 61.11 H new ATOM 441 N GLY A 26 -30.165 24.050 -2.744 1.00 74.12 N ATOM 442 CA GLY A 26 -29.098 24.261 -1.784 1.00 32.44 C ATOM 443 C GLY A 26 -27.918 23.338 -2.016 1.00 52.03 C ATOM 444 O GLY A 26 -26.967 23.327 -1.236 1.00 51.52 O ATOM 0 H GLY A 26 -30.038 24.526 -3.637 1.00 74.12 H new ATOM 0 HA2 GLY A 26 -28.762 25.296 -1.841 1.00 32.44 H new ATOM 0 HA3 GLY A 26 -29.484 24.106 -0.777 1.00 32.44 H new ATOM 448 N ASN A 27 -27.981 22.560 -3.092 1.00 65.00 N ATOM 449 CA ASN A 27 -26.909 21.628 -3.424 1.00 34.51 C ATOM 450 C ASN A 27 -26.095 22.134 -4.610 1.00 51.44 C ATOM 451 O ASN A 27 -26.556 22.106 -5.752 1.00 50.40 O ATOM 452 CB ASN A 27 -27.487 20.246 -3.740 1.00 40.51 C ATOM 453 CG ASN A 27 -28.120 19.593 -2.527 1.00 32.00 C ATOM 454 OD1 ASN A 27 -27.573 19.642 -1.425 1.00 51.02 O ATOM 455 ND2 ASN A 27 -29.279 18.976 -2.725 1.00 15.31 N ATOM 0 H ASN A 27 -28.762 22.556 -3.748 1.00 65.00 H new ATOM 0 HA ASN A 27 -26.249 21.550 -2.560 1.00 34.51 H new ATOM 0 HB2 ASN A 27 -28.233 20.339 -4.530 1.00 40.51 H new ATOM 0 HB3 ASN A 27 -26.695 19.603 -4.124 1.00 40.51 H new ATOM 0 HD21 ASN A 27 -29.752 18.518 -1.946 1.00 15.31 H new ATOM 0 HD22 ASN A 27 -29.696 18.960 -3.656 1.00 15.31 H new ATOM 462 N THR A 28 -24.880 22.598 -4.333 1.00 31.52 N ATOM 463 CA THR A 28 -24.001 23.111 -5.376 1.00 13.12 C ATOM 464 C THR A 28 -23.531 21.993 -6.299 1.00 30.34 C ATOM 465 O THR A 28 -23.317 20.862 -5.861 1.00 11.33 O ATOM 466 CB THR A 28 -22.771 23.818 -4.776 1.00 70.11 C ATOM 467 OG1 THR A 28 -23.170 24.651 -3.682 1.00 43.52 O ATOM 468 CG2 THR A 28 -22.063 24.658 -5.829 1.00 30.25 C ATOM 0 H THR A 28 -24.483 22.629 -3.394 1.00 31.52 H new ATOM 0 HA THR A 28 -24.581 23.833 -5.951 1.00 13.12 H new ATOM 0 HB THR A 28 -22.080 23.055 -4.417 1.00 70.11 H new ATOM 0 HG1 THR A 28 -22.377 24.934 -3.180 1.00 43.52 H new ATOM 0 HG21 THR A 28 -21.198 25.148 -5.382 1.00 30.25 H new ATOM 0 HG22 THR A 28 -21.735 24.016 -6.646 1.00 30.25 H new ATOM 0 HG23 THR A 28 -22.749 25.413 -6.214 1.00 30.25 H new ATOM 476 N SER A 29 -23.371 22.315 -7.578 1.00 52.21 N ATOM 477 CA SER A 29 -22.929 21.336 -8.564 1.00 23.02 C ATOM 478 C SER A 29 -21.975 21.972 -9.571 1.00 73.41 C ATOM 479 O SER A 29 -22.317 22.952 -10.233 1.00 60.11 O ATOM 480 CB SER A 29 -24.132 20.735 -9.293 1.00 12.13 C ATOM 481 OG SER A 29 -25.012 20.096 -8.384 1.00 24.31 O ATOM 0 H SER A 29 -23.541 23.247 -7.956 1.00 52.21 H new ATOM 0 HA SER A 29 -22.399 20.542 -8.038 1.00 23.02 H new ATOM 0 HB2 SER A 29 -24.665 21.520 -9.830 1.00 12.13 H new ATOM 0 HB3 SER A 29 -23.788 20.017 -10.037 1.00 12.13 H new ATOM 0 HG SER A 29 -25.773 19.722 -8.874 1.00 24.31 H new ATOM 487 N TYR A 30 -20.778 21.406 -9.681 1.00 13.41 N ATOM 488 CA TYR A 30 -19.773 21.918 -10.605 1.00 12.20 C ATOM 489 C TYR A 30 -19.716 21.070 -11.872 1.00 25.13 C ATOM 490 O TYR A 30 -19.471 19.864 -11.815 1.00 73.11 O ATOM 491 CB TYR A 30 -18.399 21.946 -9.933 1.00 73.22 C ATOM 492 CG TYR A 30 -18.171 23.167 -9.071 1.00 72.21 C ATOM 493 CD1 TYR A 30 -19.106 23.553 -8.118 1.00 24.42 C ATOM 494 CD2 TYR A 30 -17.022 23.935 -9.210 1.00 52.34 C ATOM 495 CE1 TYR A 30 -18.902 24.668 -7.328 1.00 61.23 C ATOM 496 CE2 TYR A 30 -16.809 25.051 -8.424 1.00 55.14 C ATOM 497 CZ TYR A 30 -17.752 25.413 -7.485 1.00 12.40 C ATOM 498 OH TYR A 30 -17.545 26.525 -6.701 1.00 4.10 O ATOM 0 H TYR A 30 -20.480 20.593 -9.142 1.00 13.41 H new ATOM 0 HA TYR A 30 -20.055 22.934 -10.882 1.00 12.20 H new ATOM 0 HB2 TYR A 30 -18.286 21.052 -9.319 1.00 73.22 H new ATOM 0 HB3 TYR A 30 -17.627 21.905 -10.702 1.00 73.22 H new ATOM 0 HD1 TYR A 30 -20.007 22.971 -7.993 1.00 24.42 H new ATOM 0 HD2 TYR A 30 -16.282 23.655 -9.945 1.00 52.34 H new ATOM 0 HE1 TYR A 30 -19.639 24.954 -6.592 1.00 61.23 H new ATOM 0 HE2 TYR A 30 -15.909 25.636 -8.544 1.00 55.14 H new ATOM 0 HH TYR A 30 -16.642 26.494 -6.321 1.00 4.10 H new ATOM 508 N LEU A 31 -19.941 21.709 -13.014 1.00 74.33 N ATOM 509 CA LEU A 31 -19.915 21.015 -14.297 1.00 63.31 C ATOM 510 C LEU A 31 -18.528 21.091 -14.929 1.00 34.43 C ATOM 511 O LEU A 31 -18.055 22.170 -15.284 1.00 23.01 O ATOM 512 CB LEU A 31 -20.953 21.615 -15.246 1.00 15.31 C ATOM 513 CG LEU A 31 -21.419 20.713 -16.390 1.00 3.43 C ATOM 514 CD1 LEU A 31 -21.681 19.303 -15.885 1.00 12.24 C ATOM 515 CD2 LEU A 31 -22.665 21.287 -17.048 1.00 31.21 C ATOM 0 H LEU A 31 -20.144 22.707 -13.078 1.00 74.33 H new ATOM 0 HA LEU A 31 -20.157 19.967 -14.120 1.00 63.31 H new ATOM 0 HB2 LEU A 31 -21.826 21.906 -14.661 1.00 15.31 H new ATOM 0 HB3 LEU A 31 -20.539 22.527 -15.675 1.00 15.31 H new ATOM 0 HG LEU A 31 -20.627 20.667 -17.137 1.00 3.43 H new ATOM 0 HD11 LEU A 31 -22.012 18.676 -16.713 1.00 12.24 H new ATOM 0 HD12 LEU A 31 -20.764 18.892 -15.462 1.00 12.24 H new ATOM 0 HD13 LEU A 31 -22.455 19.329 -15.118 1.00 12.24 H new ATOM 0 HD21 LEU A 31 -22.982 20.632 -17.860 1.00 31.21 H new ATOM 0 HD22 LEU A 31 -23.464 21.364 -16.310 1.00 31.21 H new ATOM 0 HD23 LEU A 31 -22.443 22.277 -17.446 1.00 31.21 H new ATOM 527 N VAL A 32 -17.883 19.937 -15.068 1.00 20.24 N ATOM 528 CA VAL A 32 -16.552 19.872 -15.660 1.00 32.23 C ATOM 529 C VAL A 32 -16.526 18.920 -16.850 1.00 31.40 C ATOM 530 O VAL A 32 -17.206 17.893 -16.853 1.00 65.21 O ATOM 531 CB VAL A 32 -15.501 19.417 -14.630 1.00 12.25 C ATOM 532 CG1 VAL A 32 -15.632 17.927 -14.356 1.00 24.34 C ATOM 533 CG2 VAL A 32 -14.100 19.758 -15.113 1.00 3.22 C ATOM 0 H VAL A 32 -18.261 19.035 -14.779 1.00 20.24 H new ATOM 0 HA VAL A 32 -16.307 20.879 -15.998 1.00 32.23 H new ATOM 0 HB VAL A 32 -15.678 19.950 -13.696 1.00 12.25 H new ATOM 0 HG11 VAL A 32 -14.881 17.624 -13.626 1.00 24.34 H new ATOM 0 HG12 VAL A 32 -16.626 17.715 -13.963 1.00 24.34 H new ATOM 0 HG13 VAL A 32 -15.482 17.372 -15.282 1.00 24.34 H new ATOM 0 HG21 VAL A 32 -13.370 19.430 -14.373 1.00 3.22 H new ATOM 0 HG22 VAL A 32 -13.909 19.254 -16.060 1.00 3.22 H new ATOM 0 HG23 VAL A 32 -14.015 20.836 -15.252 1.00 3.22 H new ATOM 543 N LYS A 33 -15.737 19.266 -17.861 1.00 2.51 N ATOM 544 CA LYS A 33 -15.619 18.443 -19.058 1.00 73.41 C ATOM 545 C LYS A 33 -14.419 17.507 -18.959 1.00 30.42 C ATOM 546 O LYS A 33 -13.847 17.328 -17.883 1.00 72.44 O ATOM 547 CB LYS A 33 -15.488 19.327 -20.300 1.00 53.11 C ATOM 548 CG LYS A 33 -14.294 20.264 -20.256 1.00 44.12 C ATOM 549 CD LYS A 33 -14.291 21.219 -21.438 1.00 5.42 C ATOM 550 CE LYS A 33 -15.209 22.408 -21.196 1.00 65.21 C ATOM 551 NZ LYS A 33 -15.080 23.435 -22.267 1.00 31.21 N ATOM 0 H LYS A 33 -15.169 20.113 -17.875 1.00 2.51 H new ATOM 0 HA LYS A 33 -16.523 17.839 -19.143 1.00 73.41 H new ATOM 0 HB2 LYS A 33 -15.408 18.691 -21.182 1.00 53.11 H new ATOM 0 HB3 LYS A 33 -16.398 19.916 -20.414 1.00 53.11 H new ATOM 0 HG2 LYS A 33 -14.311 20.834 -19.327 1.00 44.12 H new ATOM 0 HG3 LYS A 33 -13.373 19.681 -20.255 1.00 44.12 H new ATOM 0 HD2 LYS A 33 -13.276 21.573 -21.619 1.00 5.42 H new ATOM 0 HD3 LYS A 33 -14.609 20.689 -22.336 1.00 5.42 H new ATOM 0 HE2 LYS A 33 -16.242 22.065 -21.145 1.00 65.21 H new ATOM 0 HE3 LYS A 33 -14.974 22.858 -20.231 1.00 65.21 H new ATOM 0 HZ1 LYS A 33 -15.326 24.370 -21.883 1.00 31.21 H new ATOM 0 HZ2 LYS A 33 -14.101 23.451 -22.616 1.00 31.21 H new ATOM 0 HZ3 LYS A 33 -15.723 23.202 -23.050 1.00 31.21 H new ATOM 565 N TRP A 34 -14.042 16.914 -20.086 1.00 33.11 N ATOM 566 CA TRP A 34 -12.908 15.997 -20.125 1.00 54.22 C ATOM 567 C TRP A 34 -11.980 16.330 -21.288 1.00 23.33 C ATOM 568 O TRP A 34 -12.149 15.822 -22.396 1.00 75.43 O ATOM 569 CB TRP A 34 -13.398 14.553 -20.244 1.00 63.00 C ATOM 570 CG TRP A 34 -14.761 14.338 -19.659 1.00 62.42 C ATOM 571 CD1 TRP A 34 -15.143 14.560 -18.367 1.00 23.00 C ATOM 572 CD2 TRP A 34 -15.921 13.855 -20.345 1.00 52.43 C ATOM 573 NE1 TRP A 34 -16.471 14.245 -18.208 1.00 43.04 N ATOM 574 CE2 TRP A 34 -16.971 13.811 -19.407 1.00 53.34 C ATOM 575 CE3 TRP A 34 -16.176 13.459 -21.661 1.00 31.43 C ATOM 576 CZ2 TRP A 34 -18.253 13.385 -19.745 1.00 51.21 C ATOM 577 CZ3 TRP A 34 -17.449 13.036 -21.994 1.00 64.32 C ATOM 578 CH2 TRP A 34 -18.474 13.002 -21.040 1.00 53.31 C ATOM 0 H TRP A 34 -14.504 17.051 -20.985 1.00 33.11 H new ATOM 0 HA TRP A 34 -12.350 16.108 -19.196 1.00 54.22 H new ATOM 0 HB2 TRP A 34 -13.413 14.267 -21.296 1.00 63.00 H new ATOM 0 HB3 TRP A 34 -12.688 13.894 -19.745 1.00 63.00 H new ATOM 0 HD1 TRP A 34 -14.496 14.929 -17.585 1.00 23.00 H new ATOM 0 HE1 TRP A 34 -16.999 14.322 -17.338 1.00 43.04 H new ATOM 0 HE3 TRP A 34 -15.393 13.483 -22.404 1.00 31.43 H new ATOM 0 HZ2 TRP A 34 -19.045 13.358 -19.011 1.00 51.21 H new ATOM 0 HZ3 TRP A 34 -17.657 12.726 -23.008 1.00 64.32 H new ATOM 0 HH2 TRP A 34 -19.458 12.667 -21.332 1.00 53.31 H new ATOM 589 N LYS A 35 -10.997 17.186 -21.028 1.00 60.53 N ATOM 590 CA LYS A 35 -10.039 17.585 -22.053 1.00 14.23 C ATOM 591 C LYS A 35 -10.756 18.132 -23.283 1.00 63.35 C ATOM 592 O LYS A 35 -10.291 17.962 -24.410 1.00 1.42 O ATOM 593 CB LYS A 35 -9.158 16.398 -22.448 1.00 35.34 C ATOM 594 CG LYS A 35 -7.791 16.802 -22.970 1.00 3.22 C ATOM 595 CD LYS A 35 -6.679 16.036 -22.273 1.00 2.11 C ATOM 596 CE LYS A 35 -5.479 15.840 -23.187 1.00 73.13 C ATOM 597 NZ LYS A 35 -5.670 14.689 -24.113 1.00 52.55 N ATOM 0 H LYS A 35 -10.843 17.617 -20.116 1.00 60.53 H new ATOM 0 HA LYS A 35 -9.410 18.373 -21.640 1.00 14.23 H new ATOM 0 HB2 LYS A 35 -9.029 15.748 -21.583 1.00 35.34 H new ATOM 0 HB3 LYS A 35 -9.671 15.814 -23.212 1.00 35.34 H new ATOM 0 HG2 LYS A 35 -7.742 16.620 -24.044 1.00 3.22 H new ATOM 0 HG3 LYS A 35 -7.645 17.872 -22.821 1.00 3.22 H new ATOM 0 HD2 LYS A 35 -6.371 16.575 -21.377 1.00 2.11 H new ATOM 0 HD3 LYS A 35 -7.053 15.065 -21.948 1.00 2.11 H new ATOM 0 HE2 LYS A 35 -5.311 16.748 -23.766 1.00 73.13 H new ATOM 0 HE3 LYS A 35 -4.586 15.677 -22.584 1.00 73.13 H new ATOM 0 HZ1 LYS A 35 -4.831 14.588 -24.719 1.00 52.55 H new ATOM 0 HZ2 LYS A 35 -5.805 13.818 -23.561 1.00 52.55 H new ATOM 0 HZ3 LYS A 35 -6.508 14.856 -24.706 1.00 52.55 H new ATOM 611 N ASN A 36 -11.889 18.789 -23.060 1.00 10.12 N ATOM 612 CA ASN A 36 -12.669 19.361 -24.151 1.00 42.52 C ATOM 613 C ASN A 36 -13.191 18.268 -25.078 1.00 41.25 C ATOM 614 O ASN A 36 -13.613 18.542 -26.202 1.00 61.03 O ATOM 615 CB ASN A 36 -11.820 20.357 -24.945 1.00 61.40 C ATOM 616 CG ASN A 36 -12.267 21.791 -24.739 1.00 3.10 C ATOM 617 OD1 ASN A 36 -12.825 22.415 -25.642 1.00 23.12 O ATOM 618 ND2 ASN A 36 -12.022 22.321 -23.546 1.00 53.22 N ATOM 0 H ASN A 36 -12.288 18.939 -22.133 1.00 10.12 H new ATOM 0 HA ASN A 36 -13.522 19.884 -23.719 1.00 42.52 H new ATOM 0 HB2 ASN A 36 -10.776 20.258 -24.647 1.00 61.40 H new ATOM 0 HB3 ASN A 36 -11.874 20.111 -26.006 1.00 61.40 H new ATOM 0 HD21 ASN A 36 -12.299 23.283 -23.349 1.00 53.22 H new ATOM 0 HD22 ASN A 36 -11.557 21.766 -22.827 1.00 53.22 H new ATOM 625 N TYR A 37 -13.160 17.030 -24.600 1.00 23.43 N ATOM 626 CA TYR A 37 -13.628 15.894 -25.386 1.00 2.32 C ATOM 627 C TYR A 37 -15.132 15.982 -25.628 1.00 45.51 C ATOM 628 O TYR A 37 -15.656 15.384 -26.567 1.00 54.43 O ATOM 629 CB TYR A 37 -13.291 14.582 -24.676 1.00 65.10 C ATOM 630 CG TYR A 37 -13.874 13.361 -25.351 1.00 12.22 C ATOM 631 CD1 TYR A 37 -15.172 12.946 -25.078 1.00 10.42 C ATOM 632 CD2 TYR A 37 -13.128 12.622 -26.260 1.00 51.13 C ATOM 633 CE1 TYR A 37 -15.709 11.831 -25.691 1.00 55.43 C ATOM 634 CE2 TYR A 37 -13.658 11.507 -26.880 1.00 22.34 C ATOM 635 CZ TYR A 37 -14.949 11.115 -26.592 1.00 4.23 C ATOM 636 OH TYR A 37 -15.479 10.004 -27.205 1.00 74.24 O ATOM 0 H TYR A 37 -12.816 16.787 -23.671 1.00 23.43 H new ATOM 0 HA TYR A 37 -13.121 15.918 -26.350 1.00 2.32 H new ATOM 0 HB2 TYR A 37 -12.208 14.475 -24.623 1.00 65.10 H new ATOM 0 HB3 TYR A 37 -13.657 14.629 -23.650 1.00 65.10 H new ATOM 0 HD1 TYR A 37 -15.771 13.505 -24.374 1.00 10.42 H new ATOM 0 HD2 TYR A 37 -12.116 12.924 -26.486 1.00 51.13 H new ATOM 0 HE1 TYR A 37 -16.719 11.521 -25.466 1.00 55.43 H new ATOM 0 HE2 TYR A 37 -13.065 10.945 -27.586 1.00 22.34 H new ATOM 0 HH TYR A 37 -14.814 9.616 -27.811 1.00 74.24 H new ATOM 646 N SER A 38 -15.819 16.734 -24.774 1.00 21.22 N ATOM 647 CA SER A 38 -17.263 16.899 -24.892 1.00 1.13 C ATOM 648 C SER A 38 -17.759 18.013 -23.975 1.00 22.04 C ATOM 649 O SER A 38 -18.443 17.758 -22.984 1.00 31.23 O ATOM 650 CB SER A 38 -17.977 15.589 -24.554 1.00 22.13 C ATOM 651 OG SER A 38 -18.019 14.726 -25.677 1.00 45.33 O ATOM 0 H SER A 38 -15.399 17.238 -23.993 1.00 21.22 H new ATOM 0 HA SER A 38 -17.490 17.172 -25.923 1.00 1.13 H new ATOM 0 HB2 SER A 38 -17.464 15.094 -23.730 1.00 22.13 H new ATOM 0 HB3 SER A 38 -18.991 15.801 -24.216 1.00 22.13 H new ATOM 0 HG SER A 38 -17.390 15.045 -26.358 1.00 45.33 H new ATOM 657 N SER A 39 -17.408 19.250 -24.313 1.00 31.41 N ATOM 658 CA SER A 39 -17.814 20.403 -23.519 1.00 5.52 C ATOM 659 C SER A 39 -19.313 20.370 -23.238 1.00 41.25 C ATOM 660 O SER A 39 -19.777 20.874 -22.215 1.00 62.12 O ATOM 661 CB SER A 39 -17.447 21.701 -24.242 1.00 10.02 C ATOM 662 OG SER A 39 -17.779 22.833 -23.457 1.00 3.31 O ATOM 0 H SER A 39 -16.844 19.479 -25.131 1.00 31.41 H new ATOM 0 HA SER A 39 -17.284 20.362 -22.568 1.00 5.52 H new ATOM 0 HB2 SER A 39 -16.380 21.708 -24.463 1.00 10.02 H new ATOM 0 HB3 SER A 39 -17.971 21.750 -25.197 1.00 10.02 H new ATOM 0 HG SER A 39 -17.533 23.650 -23.940 1.00 3.31 H new ATOM 668 N LYS A 40 -20.067 19.773 -24.155 1.00 44.14 N ATOM 669 CA LYS A 40 -21.514 19.671 -24.009 1.00 42.40 C ATOM 670 C LYS A 40 -21.884 18.582 -23.007 1.00 51.52 C ATOM 671 O LYS A 40 -22.568 18.843 -22.017 1.00 43.20 O ATOM 672 CB LYS A 40 -22.164 19.377 -25.362 1.00 75.24 C ATOM 673 CG LYS A 40 -21.980 20.488 -26.381 1.00 44.30 C ATOM 674 CD LYS A 40 -20.605 20.430 -27.026 1.00 51.42 C ATOM 675 CE LYS A 40 -20.688 20.624 -28.533 1.00 1.44 C ATOM 676 NZ LYS A 40 -21.099 19.375 -29.231 1.00 23.01 N ATOM 0 H LYS A 40 -19.699 19.352 -25.008 1.00 44.14 H new ATOM 0 HA LYS A 40 -21.885 20.625 -23.635 1.00 42.40 H new ATOM 0 HB2 LYS A 40 -21.745 18.454 -25.764 1.00 75.24 H new ATOM 0 HB3 LYS A 40 -23.230 19.205 -25.213 1.00 75.24 H new ATOM 0 HG2 LYS A 40 -22.748 20.408 -27.151 1.00 44.30 H new ATOM 0 HG3 LYS A 40 -22.115 21.455 -25.895 1.00 44.30 H new ATOM 0 HD2 LYS A 40 -19.966 21.200 -26.594 1.00 51.42 H new ATOM 0 HD3 LYS A 40 -20.139 19.469 -26.807 1.00 51.42 H new ATOM 0 HE2 LYS A 40 -21.401 21.417 -28.758 1.00 1.44 H new ATOM 0 HE3 LYS A 40 -19.719 20.949 -28.911 1.00 1.44 H new ATOM 0 HZ1 LYS A 40 -21.144 19.548 -30.255 1.00 23.01 H new ATOM 0 HZ2 LYS A 40 -20.406 18.625 -29.037 1.00 23.01 H new ATOM 0 HZ3 LYS A 40 -22.035 19.078 -28.889 1.00 23.01 H new ATOM 690 N ASP A 41 -21.428 17.363 -23.270 1.00 43.03 N ATOM 691 CA ASP A 41 -21.709 16.235 -22.390 1.00 70.21 C ATOM 692 C ASP A 41 -21.177 16.496 -20.985 1.00 3.34 C ATOM 693 O ASP A 41 -21.941 16.561 -20.023 1.00 31.20 O ATOM 694 CB ASP A 41 -21.090 14.954 -22.953 1.00 54.43 C ATOM 695 CG ASP A 41 -21.689 13.704 -22.340 1.00 22.12 C ATOM 696 OD1 ASP A 41 -22.331 13.815 -21.275 1.00 13.01 O ATOM 697 OD2 ASP A 41 -21.514 12.614 -22.924 1.00 60.11 O ATOM 0 H ASP A 41 -20.862 17.130 -24.086 1.00 43.03 H new ATOM 0 HA ASP A 41 -22.791 16.112 -22.333 1.00 70.21 H new ATOM 0 HB2 ASP A 41 -21.232 14.929 -24.033 1.00 54.43 H new ATOM 0 HB3 ASP A 41 -20.015 14.964 -22.773 1.00 54.43 H new ATOM 702 N ASN A 42 -19.861 16.645 -20.874 1.00 25.20 N ATOM 703 CA ASN A 42 -19.226 16.897 -19.586 1.00 5.44 C ATOM 704 C ASN A 42 -19.844 16.029 -18.494 1.00 54.05 C ATOM 705 O ASN A 42 -20.549 15.060 -18.781 1.00 1.23 O ATOM 706 CB ASN A 42 -19.354 18.375 -19.211 1.00 54.31 C ATOM 707 CG ASN A 42 -20.795 18.790 -18.982 1.00 41.31 C ATOM 708 OD1 ASN A 42 -21.553 18.095 -18.305 1.00 5.42 O ATOM 709 ND2 ASN A 42 -21.180 19.928 -19.548 1.00 3.41 N ATOM 0 H ASN A 42 -19.214 16.596 -21.661 1.00 25.20 H new ATOM 0 HA ASN A 42 -18.170 16.641 -19.674 1.00 5.44 H new ATOM 0 HB2 ASN A 42 -18.775 18.570 -18.308 1.00 54.31 H new ATOM 0 HB3 ASN A 42 -18.924 18.987 -20.004 1.00 54.31 H new ATOM 0 HD21 ASN A 42 -22.138 20.258 -19.430 1.00 3.41 H new ATOM 0 HD22 ASN A 42 -20.518 20.472 -20.101 1.00 3.41 H new ATOM 716 N THR A 43 -19.577 16.383 -17.241 1.00 71.11 N ATOM 717 CA THR A 43 -20.107 15.637 -16.107 1.00 24.32 C ATOM 718 C THR A 43 -20.339 16.550 -14.908 1.00 61.43 C ATOM 719 O THR A 43 -19.560 17.469 -14.657 1.00 13.42 O ATOM 720 CB THR A 43 -19.158 14.496 -15.693 1.00 2.04 C ATOM 721 OG1 THR A 43 -17.797 14.893 -15.896 1.00 20.35 O ATOM 722 CG2 THR A 43 -19.448 13.234 -16.491 1.00 0.10 C ATOM 0 H THR A 43 -18.997 17.182 -16.986 1.00 71.11 H new ATOM 0 HA THR A 43 -21.059 15.211 -16.425 1.00 24.32 H new ATOM 0 HB THR A 43 -19.320 14.283 -14.636 1.00 2.04 H new ATOM 0 HG1 THR A 43 -17.686 15.829 -15.628 1.00 20.35 H new ATOM 0 HG21 THR A 43 -18.765 12.443 -16.181 1.00 0.10 H new ATOM 0 HG22 THR A 43 -20.476 12.918 -16.311 1.00 0.10 H new ATOM 0 HG23 THR A 43 -19.311 13.436 -17.553 1.00 0.10 H new ATOM 730 N TRP A 44 -21.413 16.289 -14.172 1.00 40.30 N ATOM 731 CA TRP A 44 -21.747 17.088 -12.998 1.00 41.34 C ATOM 732 C TRP A 44 -21.095 16.514 -11.745 1.00 75.43 C ATOM 733 O TRP A 44 -21.181 15.314 -11.486 1.00 61.21 O ATOM 734 CB TRP A 44 -23.264 17.154 -12.815 1.00 60.32 C ATOM 735 CG TRP A 44 -24.006 17.415 -14.091 1.00 64.43 C ATOM 736 CD1 TRP A 44 -24.395 18.629 -14.579 1.00 43.34 C ATOM 737 CD2 TRP A 44 -24.449 16.438 -15.040 1.00 3.10 C ATOM 738 NE1 TRP A 44 -25.053 18.467 -15.775 1.00 20.35 N ATOM 739 CE2 TRP A 44 -25.099 17.132 -16.079 1.00 44.14 C ATOM 740 CE3 TRP A 44 -24.358 15.046 -15.114 1.00 21.42 C ATOM 741 CZ2 TRP A 44 -25.654 16.479 -17.176 1.00 73.03 C ATOM 742 CZ3 TRP A 44 -24.910 14.399 -16.203 1.00 33.11 C ATOM 743 CH2 TRP A 44 -25.551 15.115 -17.223 1.00 11.24 C ATOM 0 H TRP A 44 -22.067 15.531 -14.367 1.00 40.30 H new ATOM 0 HA TRP A 44 -21.363 18.096 -13.154 1.00 41.34 H new ATOM 0 HB2 TRP A 44 -23.612 16.214 -12.386 1.00 60.32 H new ATOM 0 HB3 TRP A 44 -23.502 17.939 -12.097 1.00 60.32 H new ATOM 0 HD1 TRP A 44 -24.213 19.578 -14.096 1.00 43.34 H new ATOM 0 HE1 TRP A 44 -25.443 19.218 -16.344 1.00 20.35 H new ATOM 0 HE3 TRP A 44 -23.865 14.485 -14.334 1.00 21.42 H new ATOM 0 HZ2 TRP A 44 -26.149 17.029 -17.963 1.00 73.03 H new ATOM 0 HZ3 TRP A 44 -24.846 13.323 -16.269 1.00 33.11 H new ATOM 0 HH2 TRP A 44 -25.972 14.580 -18.062 1.00 11.24 H new ATOM 754 N GLU A 45 -20.445 17.378 -10.972 1.00 34.41 N ATOM 755 CA GLU A 45 -19.779 16.953 -9.746 1.00 54.40 C ATOM 756 C GLU A 45 -19.999 17.969 -8.628 1.00 71.42 C ATOM 757 O GLU A 45 -19.666 19.146 -8.768 1.00 21.01 O ATOM 758 CB GLU A 45 -18.281 16.766 -9.992 1.00 61.22 C ATOM 759 CG GLU A 45 -17.954 15.575 -10.877 1.00 62.22 C ATOM 760 CD GLU A 45 -17.373 14.411 -10.098 1.00 4.11 C ATOM 761 OE1 GLU A 45 -16.450 14.640 -9.289 1.00 3.13 O ATOM 762 OE2 GLU A 45 -17.842 13.271 -10.298 1.00 23.14 O ATOM 0 H GLU A 45 -20.365 18.375 -11.172 1.00 34.41 H new ATOM 0 HA GLU A 45 -20.211 16.001 -9.439 1.00 54.40 H new ATOM 0 HB2 GLU A 45 -17.881 17.670 -10.451 1.00 61.22 H new ATOM 0 HB3 GLU A 45 -17.776 16.645 -9.034 1.00 61.22 H new ATOM 0 HG2 GLU A 45 -18.859 15.249 -11.389 1.00 62.22 H new ATOM 0 HG3 GLU A 45 -17.245 15.882 -11.646 1.00 62.22 H new ATOM 769 N THR A 46 -20.563 17.504 -7.517 1.00 54.45 N ATOM 770 CA THR A 46 -20.830 18.370 -6.376 1.00 1.40 C ATOM 771 C THR A 46 -19.636 19.270 -6.078 1.00 11.20 C ATOM 772 O THR A 46 -18.491 18.904 -6.340 1.00 30.32 O ATOM 773 CB THR A 46 -21.168 17.551 -5.116 1.00 40.11 C ATOM 774 OG1 THR A 46 -20.653 16.221 -5.244 1.00 4.34 O ATOM 775 CG2 THR A 46 -22.672 17.498 -4.892 1.00 43.44 C ATOM 0 H THR A 46 -20.843 16.532 -7.384 1.00 54.45 H new ATOM 0 HA THR A 46 -21.689 18.986 -6.641 1.00 1.40 H new ATOM 0 HB THR A 46 -20.706 18.039 -4.258 1.00 40.11 H new ATOM 0 HG1 THR A 46 -20.870 15.707 -4.438 1.00 4.34 H new ATOM 0 HG21 THR A 46 -22.886 16.914 -3.997 1.00 43.44 H new ATOM 0 HG22 THR A 46 -23.057 18.510 -4.766 1.00 43.44 H new ATOM 0 HG23 THR A 46 -23.152 17.032 -5.752 1.00 43.44 H new ATOM 783 N GLU A 47 -19.912 20.449 -5.528 1.00 62.14 N ATOM 784 CA GLU A 47 -18.859 21.401 -5.195 1.00 65.32 C ATOM 785 C GLU A 47 -17.864 20.790 -4.212 1.00 32.30 C ATOM 786 O GLU A 47 -16.711 21.213 -4.136 1.00 25.41 O ATOM 787 CB GLU A 47 -19.462 22.675 -4.602 1.00 4.54 C ATOM 788 CG GLU A 47 -18.457 23.531 -3.849 1.00 24.25 C ATOM 789 CD GLU A 47 -19.061 24.822 -3.331 1.00 61.15 C ATOM 790 OE1 GLU A 47 -20.256 24.813 -2.969 1.00 52.54 O ATOM 791 OE2 GLU A 47 -18.339 25.840 -3.289 1.00 54.10 O ATOM 0 H GLU A 47 -20.855 20.767 -5.304 1.00 62.14 H new ATOM 0 HA GLU A 47 -18.328 21.653 -6.113 1.00 65.32 H new ATOM 0 HB2 GLU A 47 -19.901 23.267 -5.405 1.00 4.54 H new ATOM 0 HB3 GLU A 47 -20.273 22.403 -3.926 1.00 4.54 H new ATOM 0 HG2 GLU A 47 -18.055 22.961 -3.011 1.00 24.25 H new ATOM 0 HG3 GLU A 47 -17.620 23.764 -4.507 1.00 24.25 H new ATOM 798 N ASP A 48 -18.320 19.793 -3.461 1.00 53.31 N ATOM 799 CA ASP A 48 -17.472 19.123 -2.483 1.00 21.14 C ATOM 800 C ASP A 48 -16.843 17.867 -3.078 1.00 74.11 C ATOM 801 O ASP A 48 -16.095 17.157 -2.406 1.00 42.12 O ATOM 802 CB ASP A 48 -18.282 18.761 -1.236 1.00 43.34 C ATOM 803 CG ASP A 48 -18.064 19.741 -0.100 1.00 61.01 C ATOM 804 OD1 ASP A 48 -17.103 19.547 0.674 1.00 54.32 O ATOM 805 OD2 ASP A 48 -18.855 20.701 0.016 1.00 64.10 O ATOM 0 H ASP A 48 -19.272 19.431 -3.511 1.00 53.31 H new ATOM 0 HA ASP A 48 -16.673 19.809 -2.202 1.00 21.14 H new ATOM 0 HB2 ASP A 48 -19.342 18.733 -1.490 1.00 43.34 H new ATOM 0 HB3 ASP A 48 -18.007 17.759 -0.906 1.00 43.34 H new ATOM 810 N ASP A 49 -17.154 17.598 -4.341 1.00 42.55 N ATOM 811 CA ASP A 49 -16.620 16.428 -5.028 1.00 25.01 C ATOM 812 C ASP A 49 -15.839 16.837 -6.273 1.00 52.32 C ATOM 813 O ASP A 49 -15.204 16.005 -6.921 1.00 30.20 O ATOM 814 CB ASP A 49 -17.752 15.474 -5.411 1.00 61.02 C ATOM 815 CG ASP A 49 -17.294 14.030 -5.482 1.00 10.54 C ATOM 816 OD1 ASP A 49 -16.557 13.596 -4.571 1.00 52.32 O ATOM 817 OD2 ASP A 49 -17.673 13.335 -6.447 1.00 31.45 O ATOM 0 H ASP A 49 -17.774 18.175 -4.910 1.00 42.55 H new ATOM 0 HA ASP A 49 -15.940 15.917 -4.347 1.00 25.01 H new ATOM 0 HB2 ASP A 49 -18.558 15.561 -4.683 1.00 61.02 H new ATOM 0 HB3 ASP A 49 -18.161 15.770 -6.377 1.00 61.02 H new ATOM 822 N ILE A 50 -15.893 18.124 -6.602 1.00 64.53 N ATOM 823 CA ILE A 50 -15.191 18.643 -7.770 1.00 22.44 C ATOM 824 C ILE A 50 -13.855 19.265 -7.377 1.00 32.54 C ATOM 825 O ILE A 50 -12.887 19.213 -8.136 1.00 34.42 O ATOM 826 CB ILE A 50 -16.035 19.695 -8.512 1.00 74.35 C ATOM 827 CG1 ILE A 50 -15.332 20.129 -9.800 1.00 4.13 C ATOM 828 CG2 ILE A 50 -16.297 20.894 -7.614 1.00 44.53 C ATOM 829 CD1 ILE A 50 -16.028 19.659 -11.057 1.00 62.55 C ATOM 0 H ILE A 50 -16.415 18.826 -6.077 1.00 64.53 H new ATOM 0 HA ILE A 50 -15.014 17.797 -8.434 1.00 22.44 H new ATOM 0 HB ILE A 50 -16.994 19.249 -8.777 1.00 74.35 H new ATOM 0 HG12 ILE A 50 -15.263 21.217 -9.818 1.00 4.13 H new ATOM 0 HG13 ILE A 50 -14.312 19.745 -9.794 1.00 4.13 H new ATOM 0 HG21 ILE A 50 -16.895 21.629 -8.153 1.00 44.53 H new ATOM 0 HG22 ILE A 50 -16.836 20.571 -6.723 1.00 44.53 H new ATOM 0 HG23 ILE A 50 -15.348 21.343 -7.321 1.00 44.53 H new ATOM 0 HD11 ILE A 50 -15.474 20.003 -11.930 1.00 62.55 H new ATOM 0 HD12 ILE A 50 -16.073 18.570 -11.062 1.00 62.55 H new ATOM 0 HD13 ILE A 50 -17.039 20.064 -11.086 1.00 62.55 H new ATOM 841 N ARG A 51 -13.810 19.851 -6.185 1.00 24.01 N ATOM 842 CA ARG A 51 -12.592 20.482 -5.690 1.00 53.52 C ATOM 843 C ARG A 51 -11.624 19.440 -5.139 1.00 60.34 C ATOM 844 O ARG A 51 -10.434 19.708 -4.973 1.00 24.22 O ATOM 845 CB ARG A 51 -12.928 21.506 -4.604 1.00 34.11 C ATOM 846 CG ARG A 51 -12.902 20.932 -3.197 1.00 32.51 C ATOM 847 CD ARG A 51 -14.040 19.947 -2.976 1.00 11.33 C ATOM 848 NE ARG A 51 -13.860 19.168 -1.754 1.00 63.31 N ATOM 849 CZ ARG A 51 -13.978 19.677 -0.533 1.00 3.10 C ATOM 850 NH1 ARG A 51 -14.275 20.959 -0.372 1.00 2.22 N ATOM 851 NH2 ARG A 51 -13.799 18.904 0.530 1.00 23.51 N ATOM 0 H ARG A 51 -14.602 19.902 -5.544 1.00 24.01 H new ATOM 0 HA ARG A 51 -12.112 20.992 -6.525 1.00 53.52 H new ATOM 0 HB2 ARG A 51 -12.219 22.332 -4.664 1.00 34.11 H new ATOM 0 HB3 ARG A 51 -13.917 21.920 -4.800 1.00 34.11 H new ATOM 0 HG2 ARG A 51 -11.949 20.433 -3.024 1.00 32.51 H new ATOM 0 HG3 ARG A 51 -12.974 21.742 -2.471 1.00 32.51 H new ATOM 0 HD2 ARG A 51 -14.984 20.489 -2.924 1.00 11.33 H new ATOM 0 HD3 ARG A 51 -14.106 19.272 -3.830 1.00 11.33 H new ATOM 0 HE ARG A 51 -13.631 18.178 -1.843 1.00 63.31 H new ATOM 0 HH11 ARG A 51 -14.413 21.557 -1.187 1.00 2.22 H new ATOM 0 HH12 ARG A 51 -14.365 21.348 0.567 1.00 2.22 H new ATOM 0 HH21 ARG A 51 -13.570 17.917 0.410 1.00 23.51 H new ATOM 0 HH22 ARG A 51 -13.890 19.296 1.467 1.00 23.51 H new ATOM 865 N THR A 52 -12.143 18.248 -4.857 1.00 44.45 N ATOM 866 CA THR A 52 -11.326 17.166 -4.324 1.00 65.11 C ATOM 867 C THR A 52 -10.699 16.345 -5.446 1.00 15.41 C ATOM 868 O THR A 52 -9.596 15.818 -5.302 1.00 73.24 O ATOM 869 CB THR A 52 -12.151 16.232 -3.420 1.00 34.24 C ATOM 870 OG1 THR A 52 -11.311 15.208 -2.875 1.00 72.15 O ATOM 871 CG2 THR A 52 -13.294 15.597 -4.197 1.00 73.03 C ATOM 0 H THR A 52 -13.126 18.009 -4.989 1.00 44.45 H new ATOM 0 HA THR A 52 -10.537 17.629 -3.732 1.00 65.11 H new ATOM 0 HB THR A 52 -12.570 16.827 -2.609 1.00 34.24 H new ATOM 0 HG1 THR A 52 -11.844 14.620 -2.300 1.00 72.15 H new ATOM 0 HG21 THR A 52 -13.862 14.941 -3.537 1.00 73.03 H new ATOM 0 HG22 THR A 52 -13.948 16.378 -4.585 1.00 73.03 H new ATOM 0 HG23 THR A 52 -12.891 15.016 -5.027 1.00 73.03 H new ATOM 879 N LYS A 53 -11.410 16.242 -6.564 1.00 62.30 N ATOM 880 CA LYS A 53 -10.923 15.487 -7.713 1.00 34.22 C ATOM 881 C LYS A 53 -10.378 16.422 -8.787 1.00 42.20 C ATOM 882 O LYS A 53 -9.457 16.067 -9.523 1.00 41.42 O ATOM 883 CB LYS A 53 -12.046 14.624 -8.295 1.00 2.44 C ATOM 884 CG LYS A 53 -12.870 13.907 -7.240 1.00 75.10 C ATOM 885 CD LYS A 53 -11.997 13.058 -6.331 1.00 51.51 C ATOM 886 CE LYS A 53 -12.835 12.174 -5.420 1.00 5.42 C ATOM 887 NZ LYS A 53 -12.324 12.179 -4.021 1.00 33.12 N ATOM 0 H LYS A 53 -12.325 16.672 -6.699 1.00 62.30 H new ATOM 0 HA LYS A 53 -10.114 14.840 -7.375 1.00 34.22 H new ATOM 0 HB2 LYS A 53 -12.705 15.254 -8.892 1.00 2.44 H new ATOM 0 HB3 LYS A 53 -11.613 13.886 -8.970 1.00 2.44 H new ATOM 0 HG2 LYS A 53 -13.414 14.639 -6.643 1.00 75.10 H new ATOM 0 HG3 LYS A 53 -13.614 13.275 -7.726 1.00 75.10 H new ATOM 0 HD2 LYS A 53 -11.337 12.437 -6.936 1.00 51.51 H new ATOM 0 HD3 LYS A 53 -11.361 13.705 -5.727 1.00 51.51 H new ATOM 0 HE2 LYS A 53 -13.869 12.518 -5.430 1.00 5.42 H new ATOM 0 HE3 LYS A 53 -12.835 11.154 -5.803 1.00 5.42 H new ATOM 0 HZ1 LYS A 53 -12.734 11.378 -3.499 1.00 33.12 H new ATOM 0 HZ2 LYS A 53 -11.288 12.092 -4.030 1.00 33.12 H new ATOM 0 HZ3 LYS A 53 -12.593 13.070 -3.556 1.00 33.12 H new ATOM 901 N TYR A 54 -10.950 17.618 -8.870 1.00 74.22 N ATOM 902 CA TYR A 54 -10.522 18.604 -9.855 1.00 62.31 C ATOM 903 C TYR A 54 -10.211 19.940 -9.188 1.00 45.24 C ATOM 904 O TYR A 54 -10.398 21.002 -9.781 1.00 73.45 O ATOM 905 CB TYR A 54 -11.602 18.793 -10.922 1.00 24.41 C ATOM 906 CG TYR A 54 -12.235 17.498 -11.378 1.00 33.31 C ATOM 907 CD1 TYR A 54 -11.533 16.599 -12.172 1.00 12.33 C ATOM 908 CD2 TYR A 54 -13.536 17.172 -11.014 1.00 12.41 C ATOM 909 CE1 TYR A 54 -12.109 15.416 -12.591 1.00 64.41 C ATOM 910 CE2 TYR A 54 -14.119 15.990 -11.427 1.00 53.25 C ATOM 911 CZ TYR A 54 -13.402 15.115 -12.216 1.00 43.43 C ATOM 912 OH TYR A 54 -13.978 13.937 -12.631 1.00 20.41 O ATOM 0 H TYR A 54 -11.712 17.928 -8.267 1.00 74.22 H new ATOM 0 HA TYR A 54 -9.613 18.235 -10.330 1.00 62.31 H new ATOM 0 HB2 TYR A 54 -12.379 19.449 -10.529 1.00 24.41 H new ATOM 0 HB3 TYR A 54 -11.165 19.298 -11.784 1.00 24.41 H new ATOM 0 HD1 TYR A 54 -10.520 16.830 -12.466 1.00 12.33 H new ATOM 0 HD2 TYR A 54 -14.101 17.855 -10.397 1.00 12.41 H new ATOM 0 HE1 TYR A 54 -11.550 14.730 -13.209 1.00 64.41 H new ATOM 0 HE2 TYR A 54 -15.131 15.752 -11.134 1.00 53.25 H new ATOM 0 HH TYR A 54 -14.891 13.878 -12.279 1.00 20.41 H new ATOM 922 N GLY A 55 -9.732 19.879 -7.949 1.00 71.12 N ATOM 923 CA GLY A 55 -9.401 21.090 -7.221 1.00 74.20 C ATOM 924 C GLY A 55 -8.453 21.988 -7.990 1.00 22.01 C ATOM 925 O GLY A 55 -8.360 23.184 -7.715 1.00 53.52 O ATOM 0 H GLY A 55 -9.567 19.013 -7.437 1.00 71.12 H new ATOM 0 HA2 GLY A 55 -10.316 21.639 -6.999 1.00 74.20 H new ATOM 0 HA3 GLY A 55 -8.949 20.824 -6.265 1.00 74.20 H new ATOM 929 N ASP A 56 -7.745 21.410 -8.954 1.00 51.44 N ATOM 930 CA ASP A 56 -6.798 22.167 -9.765 1.00 62.42 C ATOM 931 C ASP A 56 -7.513 23.247 -10.570 1.00 70.05 C ATOM 932 O ASP A 56 -7.142 24.420 -10.522 1.00 44.53 O ATOM 933 CB ASP A 56 -6.038 21.230 -10.706 1.00 52.44 C ATOM 934 CG ASP A 56 -5.347 21.976 -11.831 1.00 22.01 C ATOM 935 OD1 ASP A 56 -4.794 23.064 -11.569 1.00 12.54 O ATOM 936 OD2 ASP A 56 -5.359 21.471 -12.973 1.00 40.44 O ATOM 0 H ASP A 56 -7.809 20.420 -9.193 1.00 51.44 H new ATOM 0 HA ASP A 56 -6.088 22.651 -9.094 1.00 62.42 H new ATOM 0 HB2 ASP A 56 -5.297 20.670 -10.136 1.00 52.44 H new ATOM 0 HB3 ASP A 56 -6.731 20.503 -11.128 1.00 52.44 H new ATOM 941 N LEU A 57 -8.540 22.844 -11.311 1.00 24.42 N ATOM 942 CA LEU A 57 -9.307 23.777 -12.128 1.00 40.01 C ATOM 943 C LEU A 57 -10.361 24.494 -11.291 1.00 51.40 C ATOM 944 O LEU A 57 -10.711 25.643 -11.565 1.00 21.51 O ATOM 945 CB LEU A 57 -9.977 23.038 -13.288 1.00 45.43 C ATOM 946 CG LEU A 57 -10.362 21.583 -13.024 1.00 30.50 C ATOM 947 CD1 LEU A 57 -11.652 21.232 -13.749 1.00 62.33 C ATOM 948 CD2 LEU A 57 -9.238 20.648 -13.448 1.00 34.12 C ATOM 0 H LEU A 57 -8.860 21.877 -11.362 1.00 24.42 H new ATOM 0 HA LEU A 57 -8.619 24.522 -12.528 1.00 40.01 H new ATOM 0 HB2 LEU A 57 -10.876 23.585 -13.570 1.00 45.43 H new ATOM 0 HB3 LEU A 57 -9.305 23.065 -14.146 1.00 45.43 H new ATOM 0 HG LEU A 57 -10.526 21.459 -11.954 1.00 30.50 H new ATOM 0 HD11 LEU A 57 -11.910 20.192 -13.549 1.00 62.33 H new ATOM 0 HD12 LEU A 57 -12.455 21.879 -13.397 1.00 62.33 H new ATOM 0 HD13 LEU A 57 -11.517 21.373 -14.821 1.00 62.33 H new ATOM 0 HD21 LEU A 57 -9.530 19.616 -13.253 1.00 34.12 H new ATOM 0 HD22 LEU A 57 -9.042 20.774 -14.513 1.00 34.12 H new ATOM 0 HD23 LEU A 57 -8.336 20.883 -12.883 1.00 34.12 H new ATOM 960 N VAL A 58 -10.863 23.810 -10.268 1.00 1.34 N ATOM 961 CA VAL A 58 -11.875 24.383 -9.388 1.00 3.02 C ATOM 962 C VAL A 58 -11.414 25.720 -8.818 1.00 33.00 C ATOM 963 O VAL A 58 -12.194 26.668 -8.723 1.00 73.25 O ATOM 964 CB VAL A 58 -12.212 23.431 -8.225 1.00 63.42 C ATOM 965 CG1 VAL A 58 -13.143 24.109 -7.232 1.00 21.30 C ATOM 966 CG2 VAL A 58 -12.827 22.144 -8.753 1.00 35.51 C ATOM 0 H VAL A 58 -10.586 22.858 -10.028 1.00 1.34 H new ATOM 0 HA VAL A 58 -12.769 24.537 -9.992 1.00 3.02 H new ATOM 0 HB VAL A 58 -11.288 23.179 -7.705 1.00 63.42 H new ATOM 0 HG11 VAL A 58 -13.370 23.421 -6.418 1.00 21.30 H new ATOM 0 HG12 VAL A 58 -12.660 25.000 -6.830 1.00 21.30 H new ATOM 0 HG13 VAL A 58 -14.067 24.393 -7.735 1.00 21.30 H new ATOM 0 HG21 VAL A 58 -13.059 21.483 -7.918 1.00 35.51 H new ATOM 0 HG22 VAL A 58 -13.742 22.375 -9.298 1.00 35.51 H new ATOM 0 HG23 VAL A 58 -12.121 21.651 -9.421 1.00 35.51 H new ATOM 976 N ASP A 59 -10.143 25.789 -8.440 1.00 3.11 N ATOM 977 CA ASP A 59 -9.577 27.011 -7.880 1.00 43.13 C ATOM 978 C ASP A 59 -9.225 28.003 -8.985 1.00 34.20 C ATOM 979 O ASP A 59 -8.691 29.079 -8.719 1.00 44.43 O ATOM 980 CB ASP A 59 -8.332 26.689 -7.052 1.00 1.20 C ATOM 981 CG ASP A 59 -8.566 26.864 -5.564 1.00 65.42 C ATOM 982 OD1 ASP A 59 -9.445 26.167 -5.017 1.00 13.14 O ATOM 983 OD2 ASP A 59 -7.869 27.697 -4.948 1.00 11.24 O ATOM 0 H ASP A 59 -9.485 25.013 -8.511 1.00 3.11 H new ATOM 0 HA ASP A 59 -10.327 27.466 -7.233 1.00 43.13 H new ATOM 0 HB2 ASP A 59 -8.023 25.663 -7.250 1.00 1.20 H new ATOM 0 HB3 ASP A 59 -7.513 27.335 -7.367 1.00 1.20 H new ATOM 988 N ASP A 60 -9.529 27.632 -10.224 1.00 64.00 N ATOM 989 CA ASP A 60 -9.245 28.489 -11.370 1.00 21.34 C ATOM 990 C ASP A 60 -10.537 29.010 -11.991 1.00 43.50 C ATOM 991 O ASP A 60 -10.525 29.979 -12.751 1.00 73.00 O ATOM 992 CB ASP A 60 -8.433 27.724 -12.416 1.00 51.45 C ATOM 993 CG ASP A 60 -7.007 28.228 -12.525 1.00 13.44 C ATOM 994 OD1 ASP A 60 -6.806 29.459 -12.456 1.00 1.14 O ATOM 995 OD2 ASP A 60 -6.093 27.392 -12.677 1.00 41.05 O ATOM 0 H ASP A 60 -9.972 26.744 -10.461 1.00 64.00 H new ATOM 0 HA ASP A 60 -8.662 29.341 -11.021 1.00 21.34 H new ATOM 0 HB2 ASP A 60 -8.422 26.665 -12.160 1.00 51.45 H new ATOM 0 HB3 ASP A 60 -8.921 27.812 -13.386 1.00 51.45 H new ATOM 1000 N PHE A 61 -11.649 28.361 -11.664 1.00 11.44 N ATOM 1001 CA PHE A 61 -12.949 28.758 -12.191 1.00 53.42 C ATOM 1002 C PHE A 61 -13.737 29.555 -11.155 1.00 4.12 C ATOM 1003 O PHE A 61 -14.022 30.736 -11.351 1.00 61.21 O ATOM 1004 CB PHE A 61 -13.748 27.525 -12.618 1.00 14.33 C ATOM 1005 CG PHE A 61 -15.158 27.838 -13.031 1.00 33.04 C ATOM 1006 CD1 PHE A 61 -15.437 28.275 -14.316 1.00 33.34 C ATOM 1007 CD2 PHE A 61 -16.205 27.696 -12.133 1.00 64.34 C ATOM 1008 CE1 PHE A 61 -16.734 28.563 -14.699 1.00 24.11 C ATOM 1009 CE2 PHE A 61 -17.503 27.982 -12.511 1.00 61.02 C ATOM 1010 CZ PHE A 61 -17.768 28.417 -13.795 1.00 44.30 C ATOM 0 H PHE A 61 -11.676 27.557 -11.036 1.00 11.44 H new ATOM 0 HA PHE A 61 -12.781 29.393 -13.061 1.00 53.42 H new ATOM 0 HB2 PHE A 61 -13.234 27.038 -13.447 1.00 14.33 H new ATOM 0 HB3 PHE A 61 -13.769 26.812 -11.794 1.00 14.33 H new ATOM 0 HD1 PHE A 61 -14.632 28.392 -15.027 1.00 33.34 H new ATOM 0 HD2 PHE A 61 -16.004 27.358 -11.127 1.00 64.34 H new ATOM 0 HE1 PHE A 61 -16.938 28.902 -15.704 1.00 24.11 H new ATOM 0 HE2 PHE A 61 -18.310 27.865 -11.803 1.00 61.02 H new ATOM 0 HZ PHE A 61 -18.782 28.643 -14.091 1.00 44.30 H new ATOM 1020 N GLU A 62 -14.084 28.899 -10.052 1.00 54.11 N ATOM 1021 CA GLU A 62 -14.840 29.546 -8.986 1.00 21.23 C ATOM 1022 C GLU A 62 -14.085 30.754 -8.439 1.00 43.15 C ATOM 1023 O GLU A 62 -14.688 31.751 -8.043 1.00 35.04 O ATOM 1024 CB GLU A 62 -15.122 28.553 -7.856 1.00 4.23 C ATOM 1025 CG GLU A 62 -13.937 28.333 -6.930 1.00 32.03 C ATOM 1026 CD GLU A 62 -13.972 26.978 -6.250 1.00 71.22 C ATOM 1027 OE1 GLU A 62 -14.982 26.261 -6.407 1.00 33.24 O ATOM 1028 OE2 GLU A 62 -12.988 26.635 -5.562 1.00 30.41 O ATOM 0 H GLU A 62 -13.854 27.921 -9.873 1.00 54.11 H new ATOM 0 HA GLU A 62 -15.786 29.889 -9.404 1.00 21.23 H new ATOM 0 HB2 GLU A 62 -15.968 28.912 -7.270 1.00 4.23 H new ATOM 0 HB3 GLU A 62 -15.417 27.597 -8.289 1.00 4.23 H new ATOM 0 HG2 GLU A 62 -13.013 28.425 -7.500 1.00 32.03 H new ATOM 0 HG3 GLU A 62 -13.923 29.116 -6.172 1.00 32.03 H new ATOM 1035 N LYS A 63 -12.760 30.658 -8.422 1.00 24.42 N ATOM 1036 CA LYS A 63 -11.920 31.741 -7.926 1.00 4.25 C ATOM 1037 C LYS A 63 -11.916 32.916 -8.899 1.00 25.24 C ATOM 1038 O LYS A 63 -11.393 33.986 -8.592 1.00 4.14 O ATOM 1039 CB LYS A 63 -10.489 31.244 -7.703 1.00 53.42 C ATOM 1040 CG LYS A 63 -10.380 30.160 -6.645 1.00 44.21 C ATOM 1041 CD LYS A 63 -10.856 30.654 -5.289 1.00 72.14 C ATOM 1042 CE LYS A 63 -9.897 30.249 -4.180 1.00 53.32 C ATOM 1043 NZ LYS A 63 -10.274 28.944 -3.570 1.00 62.03 N ATOM 0 H LYS A 63 -12.244 29.840 -8.747 1.00 24.42 H new ATOM 0 HA LYS A 63 -12.332 32.081 -6.976 1.00 4.25 H new ATOM 0 HB2 LYS A 63 -10.095 30.862 -8.645 1.00 53.42 H new ATOM 0 HB3 LYS A 63 -9.861 32.087 -7.414 1.00 53.42 H new ATOM 0 HG2 LYS A 63 -10.971 29.295 -6.946 1.00 44.21 H new ATOM 0 HG3 LYS A 63 -9.345 29.827 -6.569 1.00 44.21 H new ATOM 0 HD2 LYS A 63 -10.953 31.740 -5.309 1.00 72.14 H new ATOM 0 HD3 LYS A 63 -11.847 30.250 -5.081 1.00 72.14 H new ATOM 0 HE2 LYS A 63 -8.885 30.184 -4.581 1.00 53.32 H new ATOM 0 HE3 LYS A 63 -9.886 31.020 -3.410 1.00 53.32 H new ATOM 0 HZ1 LYS A 63 -10.610 29.099 -2.598 1.00 62.03 H new ATOM 0 HZ2 LYS A 63 -11.030 28.504 -4.132 1.00 62.03 H new ATOM 0 HZ3 LYS A 63 -9.445 28.316 -3.553 1.00 62.03 H new ATOM 1057 N ASN A 64 -12.503 32.708 -10.072 1.00 73.05 N ATOM 1058 CA ASN A 64 -12.568 33.751 -11.090 1.00 61.31 C ATOM 1059 C ASN A 64 -13.956 34.382 -11.135 1.00 10.13 C ATOM 1060 O ASN A 64 -14.096 35.577 -11.392 1.00 13.43 O ATOM 1061 CB ASN A 64 -12.213 33.175 -12.463 1.00 3.43 C ATOM 1062 CG ASN A 64 -10.720 32.968 -12.634 1.00 32.32 C ATOM 1063 OD1 ASN A 64 -10.150 33.307 -13.671 1.00 30.50 O ATOM 1064 ND2 ASN A 64 -10.080 32.408 -11.614 1.00 32.31 N ATOM 0 H ASN A 64 -12.941 31.827 -10.342 1.00 73.05 H new ATOM 0 HA ASN A 64 -11.845 34.524 -10.829 1.00 61.31 H new ATOM 0 HB2 ASN A 64 -12.727 32.223 -12.599 1.00 3.43 H new ATOM 0 HB3 ASN A 64 -12.575 33.847 -13.241 1.00 3.43 H new ATOM 0 HD21 ASN A 64 -9.075 32.243 -11.671 1.00 32.31 H new ATOM 0 HD22 ASN A 64 -10.593 32.143 -10.773 1.00 32.31 H new ATOM 1071 N GLN A 65 -14.978 33.570 -10.882 1.00 43.30 N ATOM 1072 CA GLN A 65 -16.355 34.050 -10.893 1.00 63.15 C ATOM 1073 C GLN A 65 -16.813 34.423 -9.487 1.00 61.25 C ATOM 1074 O GLN A 65 -17.901 34.969 -9.302 1.00 5.23 O ATOM 1075 CB GLN A 65 -17.283 32.985 -11.480 1.00 30.24 C ATOM 1076 CG GLN A 65 -16.599 32.063 -12.476 1.00 42.12 C ATOM 1077 CD GLN A 65 -17.547 31.547 -13.540 1.00 74.12 C ATOM 1078 OE1 GLN A 65 -18.661 31.117 -13.239 1.00 73.34 O ATOM 1079 NE2 GLN A 65 -17.110 31.587 -14.793 1.00 71.04 N ATOM 0 H GLN A 65 -14.878 32.578 -10.667 1.00 43.30 H new ATOM 0 HA GLN A 65 -16.398 34.943 -11.517 1.00 63.15 H new ATOM 0 HB2 GLN A 65 -17.695 32.387 -10.668 1.00 30.24 H new ATOM 0 HB3 GLN A 65 -18.123 33.477 -11.971 1.00 30.24 H new ATOM 0 HG2 GLN A 65 -15.778 32.597 -12.954 1.00 42.12 H new ATOM 0 HG3 GLN A 65 -16.163 31.218 -11.943 1.00 42.12 H new ATOM 0 HE21 GLN A 65 -16.180 31.952 -14.997 1.00 71.04 H new ATOM 0 HE22 GLN A 65 -17.705 31.253 -15.551 1.00 71.04 H new ATOM 1088 N LYS A 66 -15.977 34.124 -8.499 1.00 63.22 N ATOM 1089 CA LYS A 66 -16.294 34.428 -7.109 1.00 73.10 C ATOM 1090 C LYS A 66 -16.672 35.897 -6.946 1.00 24.21 C ATOM 1091 O LYS A 66 -17.461 36.252 -6.070 1.00 42.44 O ATOM 1092 CB LYS A 66 -15.104 34.093 -6.207 1.00 70.14 C ATOM 1093 CG LYS A 66 -13.789 34.678 -6.694 1.00 32.54 C ATOM 1094 CD LYS A 66 -12.642 34.320 -5.763 1.00 51.13 C ATOM 1095 CE LYS A 66 -12.129 35.542 -5.017 1.00 23.34 C ATOM 1096 NZ LYS A 66 -12.992 35.884 -3.853 1.00 32.34 N ATOM 0 H LYS A 66 -15.073 33.671 -8.635 1.00 63.22 H new ATOM 0 HA LYS A 66 -17.147 33.817 -6.815 1.00 73.10 H new ATOM 0 HB2 LYS A 66 -15.306 34.462 -5.201 1.00 70.14 H new ATOM 0 HB3 LYS A 66 -15.006 33.010 -6.136 1.00 70.14 H new ATOM 0 HG2 LYS A 66 -13.574 34.308 -7.697 1.00 32.54 H new ATOM 0 HG3 LYS A 66 -13.876 35.762 -6.766 1.00 32.54 H new ATOM 0 HD2 LYS A 66 -12.974 33.568 -5.047 1.00 51.13 H new ATOM 0 HD3 LYS A 66 -11.830 33.876 -6.338 1.00 51.13 H new ATOM 0 HE2 LYS A 66 -11.112 35.357 -4.673 1.00 23.34 H new ATOM 0 HE3 LYS A 66 -12.085 36.392 -5.699 1.00 23.34 H new ATOM 0 HZ1 LYS A 66 -12.609 36.722 -3.371 1.00 32.34 H new ATOM 0 HZ2 LYS A 66 -13.957 36.086 -4.184 1.00 32.34 H new ATOM 0 HZ3 LYS A 66 -13.014 35.083 -3.190 1.00 32.34 H new ATOM 1110 N LYS A 67 -16.104 36.747 -7.795 1.00 60.52 N ATOM 1111 CA LYS A 67 -16.382 38.177 -7.748 1.00 33.02 C ATOM 1112 C LYS A 67 -16.652 38.725 -9.145 1.00 43.54 C ATOM 1113 O LYS A 67 -17.729 38.522 -9.706 1.00 21.41 O ATOM 1114 CB LYS A 67 -15.208 38.925 -7.112 1.00 53.12 C ATOM 1115 CG LYS A 67 -15.570 39.641 -5.822 1.00 41.04 C ATOM 1116 CD LYS A 67 -16.095 41.042 -6.090 1.00 64.33 C ATOM 1117 CE LYS A 67 -15.243 42.097 -5.401 1.00 52.11 C ATOM 1118 NZ LYS A 67 -15.495 42.141 -3.934 1.00 45.10 N ATOM 0 H LYS A 67 -15.448 36.469 -8.525 1.00 60.52 H new ATOM 0 HA LYS A 67 -17.274 38.329 -7.139 1.00 33.02 H new ATOM 0 HB2 LYS A 67 -14.403 38.218 -6.912 1.00 53.12 H new ATOM 0 HB3 LYS A 67 -14.822 39.653 -7.826 1.00 53.12 H new ATOM 0 HG2 LYS A 67 -16.324 39.066 -5.285 1.00 41.04 H new ATOM 0 HG3 LYS A 67 -14.693 39.697 -5.178 1.00 41.04 H new ATOM 0 HD2 LYS A 67 -16.108 41.228 -7.164 1.00 64.33 H new ATOM 0 HD3 LYS A 67 -17.125 41.119 -5.741 1.00 64.33 H new ATOM 0 HE2 LYS A 67 -14.189 41.888 -5.582 1.00 52.11 H new ATOM 0 HE3 LYS A 67 -15.453 43.074 -5.835 1.00 52.11 H new ATOM 0 HZ1 LYS A 67 -14.896 42.872 -3.501 1.00 45.10 H new ATOM 0 HZ2 LYS A 67 -16.495 42.366 -3.760 1.00 45.10 H new ATOM 0 HZ3 LYS A 67 -15.270 41.216 -3.515 1.00 45.10 H new TER 1132 LYS A 67