USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -153:sc= 0.476 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.47 K(o=0.0058,f=-1.1) USER MOD Set 2.1: A 112 THR OG1 : rot 68:sc= -0.0213 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 84 ASN : amide:sc= -0.195 K(o=-0.19,f=1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 91 GLN : amide:sc= 0.321 K(o=0.32,f=-0.65) USER MOD Single : A 93 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.542) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -11:sc= 1.18 USER MOD Single : A 99 SER OG : rot 139:sc= -1.78! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 119:sc= 1.12 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 119 LYS NZ :NH3+ -107:sc= 0.0241 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -159:sc=-0.00768 USER MOD Single : A 123 CYS SG : rot -14:sc= -3.79! USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -2.22! C(o=-2.2!,f=-1.9!) USER MOD Single : A 137 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.59) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot -36:sc= -0.0842 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -17.982 -16.294 -5.949 1.00 0.00 N ATOM 2 CA ASN A 84 -17.281 -15.420 -6.886 1.00 0.00 C ATOM 3 C ASN A 84 -16.437 -14.475 -6.102 1.00 0.00 C ATOM 4 O ASN A 84 -16.602 -14.371 -4.889 1.00 0.00 O ATOM 5 CB ASN A 84 -18.264 -14.638 -7.786 1.00 0.00 C ATOM 6 CG ASN A 84 -19.126 -15.535 -8.658 1.00 0.00 C ATOM 7 OD1 ASN A 84 -19.454 -16.658 -8.289 1.00 0.00 O ATOM 8 ND2 ASN A 84 -19.503 -15.052 -9.810 1.00 0.00 N ATOM 0 HA ASN A 84 -16.663 -16.030 -7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.910 -14.024 -7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.699 -13.958 -8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.087 -15.612 -10.431 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.214 -14.114 -10.089 1.00 0.00 H new ATOM 17 N THR A 85 -15.539 -13.793 -6.761 1.00 0.00 N ATOM 18 CA THR A 85 -14.669 -12.876 -6.101 1.00 0.00 C ATOM 19 C THR A 85 -15.442 -11.603 -5.749 1.00 0.00 C ATOM 20 O THR A 85 -15.891 -10.873 -6.632 1.00 0.00 O ATOM 21 CB THR A 85 -13.471 -12.555 -7.014 1.00 0.00 C ATOM 22 OG1 THR A 85 -12.882 -13.796 -7.448 1.00 0.00 O ATOM 23 CG2 THR A 85 -12.422 -11.746 -6.276 1.00 0.00 C ATOM 0 H THR A 85 -15.395 -13.862 -7.768 1.00 0.00 H new ATOM 0 HA THR A 85 -14.292 -13.319 -5.179 1.00 0.00 H new ATOM 0 HB THR A 85 -13.823 -11.970 -7.863 1.00 0.00 H new ATOM 0 HG1 THR A 85 -12.118 -13.609 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.588 -11.534 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.860 -10.808 -5.934 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.063 -12.313 -5.417 1.00 0.00 H new ATOM 31 N ALA A 86 -15.631 -11.377 -4.461 1.00 0.00 N ATOM 32 CA ALA A 86 -16.337 -10.201 -3.961 1.00 0.00 C ATOM 33 C ALA A 86 -15.457 -8.957 -4.057 1.00 0.00 C ATOM 34 O ALA A 86 -15.909 -7.839 -3.783 1.00 0.00 O ATOM 35 CB ALA A 86 -16.793 -10.432 -2.527 1.00 0.00 C ATOM 0 H ALA A 86 -15.300 -12.003 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 86 -17.217 -10.036 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -17.318 -9.548 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -17.462 -11.291 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -15.925 -10.622 -1.895 1.00 0.00 H new ATOM 41 N ALA A 87 -14.199 -9.190 -4.417 1.00 0.00 N ATOM 42 CA ALA A 87 -13.186 -8.178 -4.632 1.00 0.00 C ATOM 43 C ALA A 87 -12.817 -7.500 -3.346 1.00 0.00 C ATOM 44 O ALA A 87 -13.316 -6.429 -3.002 1.00 0.00 O ATOM 45 CB ALA A 87 -13.575 -7.192 -5.707 1.00 0.00 C ATOM 0 H ALA A 87 -13.848 -10.135 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.295 -8.687 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.782 -6.455 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.727 -7.721 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.498 -6.688 -5.421 1.00 0.00 H new ATOM 51 N SER A 88 -11.969 -8.147 -2.626 1.00 0.00 N ATOM 52 CA SER A 88 -11.559 -7.683 -1.332 1.00 0.00 C ATOM 53 C SER A 88 -10.119 -7.196 -1.369 1.00 0.00 C ATOM 54 O SER A 88 -9.492 -6.987 -0.336 1.00 0.00 O ATOM 55 CB SER A 88 -11.750 -8.799 -0.308 1.00 0.00 C ATOM 56 OG SER A 88 -13.092 -9.294 -0.355 1.00 0.00 O ATOM 0 H SER A 88 -11.532 -9.022 -2.915 1.00 0.00 H new ATOM 0 HA SER A 88 -12.178 -6.836 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.049 -9.609 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.528 -8.426 0.692 1.00 0.00 H new ATOM 0 HG SER A 88 -13.200 -10.010 0.305 1.00 0.00 H new ATOM 62 N LEU A 89 -9.620 -6.969 -2.565 1.00 0.00 N ATOM 63 CA LEU A 89 -8.262 -6.478 -2.736 1.00 0.00 C ATOM 64 C LEU A 89 -8.340 -4.973 -2.971 1.00 0.00 C ATOM 65 O LEU A 89 -7.364 -4.277 -3.125 1.00 0.00 O ATOM 66 CB LEU A 89 -7.558 -7.233 -3.878 1.00 0.00 C ATOM 67 CG LEU A 89 -6.031 -7.445 -3.746 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.580 -8.484 -4.723 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.255 -6.178 -3.995 1.00 0.00 C ATOM 0 H LEU A 89 -10.131 -7.115 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.659 -6.659 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.028 -8.211 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.746 -6.694 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.838 -7.766 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.504 -8.631 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.094 -9.423 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.813 -8.156 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.189 -6.378 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.460 -5.818 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.554 -5.420 -3.271 1.00 0.00 H new ATOM 81 N GLN A 90 -9.538 -4.500 -2.986 1.00 0.00 N ATOM 82 CA GLN A 90 -9.811 -3.083 -3.064 1.00 0.00 C ATOM 83 C GLN A 90 -10.380 -2.625 -1.738 1.00 0.00 C ATOM 84 O GLN A 90 -10.655 -1.451 -1.526 1.00 0.00 O ATOM 85 CB GLN A 90 -10.793 -2.772 -4.195 1.00 0.00 C ATOM 86 CG GLN A 90 -12.132 -3.475 -4.075 1.00 0.00 C ATOM 87 CD GLN A 90 -13.086 -3.077 -5.170 1.00 0.00 C ATOM 88 OE1 GLN A 90 -13.109 -3.679 -6.238 1.00 0.00 O ATOM 89 NE2 GLN A 90 -13.872 -2.069 -4.925 1.00 0.00 N ATOM 0 H GLN A 90 -10.374 -5.082 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.883 -2.552 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.963 -1.696 -4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.335 -3.050 -5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.978 -4.554 -4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.576 -3.243 -3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.824 -1.592 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.536 -1.756 -5.634 1.00 0.00 H new ATOM 98 N GLN A 91 -10.551 -3.567 -0.841 1.00 0.00 N ATOM 99 CA GLN A 91 -11.130 -3.299 0.447 1.00 0.00 C ATOM 100 C GLN A 91 -10.079 -3.561 1.490 1.00 0.00 C ATOM 101 O GLN A 91 -9.683 -4.702 1.704 1.00 0.00 O ATOM 102 CB GLN A 91 -12.348 -4.199 0.691 1.00 0.00 C ATOM 103 CG GLN A 91 -13.383 -4.154 -0.425 1.00 0.00 C ATOM 104 CD GLN A 91 -14.621 -4.966 -0.116 1.00 0.00 C ATOM 105 OE1 GLN A 91 -15.024 -5.097 1.040 1.00 0.00 O ATOM 106 NE2 GLN A 91 -15.207 -5.546 -1.117 1.00 0.00 N ATOM 0 H GLN A 91 -10.291 -4.542 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.466 -2.263 0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.008 -5.227 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.824 -3.904 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.670 -3.118 -0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.933 -4.525 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.848 -5.417 -2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.027 -6.131 -0.958 1.00 0.00 H new ATOM 115 N TRP A 92 -9.602 -2.519 2.095 1.00 0.00 N ATOM 116 CA TRP A 92 -8.557 -2.608 3.078 1.00 0.00 C ATOM 117 C TRP A 92 -8.968 -1.859 4.322 1.00 0.00 C ATOM 118 O TRP A 92 -9.940 -1.083 4.295 1.00 0.00 O ATOM 119 CB TRP A 92 -7.250 -2.031 2.534 1.00 0.00 C ATOM 120 CG TRP A 92 -6.701 -2.752 1.338 1.00 0.00 C ATOM 121 CD1 TRP A 92 -7.045 -2.552 0.036 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.688 -3.774 1.334 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.333 -3.394 -0.767 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.493 -4.152 -0.002 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.933 -4.406 2.329 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.576 -5.134 -0.377 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -4.021 -5.375 1.955 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.851 -5.731 0.612 1.00 0.00 C ATOM 0 H TRP A 92 -9.928 -1.568 1.921 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.395 -3.658 3.320 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.411 -0.986 2.270 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.502 -2.048 3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.773 -1.833 -0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.415 -3.449 -1.782 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.061 -4.142 3.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.445 -5.411 -1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.429 -5.866 2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.131 -6.494 0.354 1.00 0.00 H new ATOM 139 N LYS A 93 -8.283 -2.099 5.411 1.00 0.00 N ATOM 140 CA LYS A 93 -8.568 -1.384 6.626 1.00 0.00 C ATOM 141 C LYS A 93 -7.291 -0.750 7.157 1.00 0.00 C ATOM 142 O LYS A 93 -6.188 -1.246 6.910 1.00 0.00 O ATOM 143 CB LYS A 93 -9.201 -2.301 7.676 1.00 0.00 C ATOM 144 CG LYS A 93 -8.240 -3.273 8.322 1.00 0.00 C ATOM 145 CD LYS A 93 -8.982 -4.308 9.160 1.00 0.00 C ATOM 146 CE LYS A 93 -9.723 -5.331 8.304 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.800 -6.317 7.696 1.00 0.00 N ATOM 0 H LYS A 93 -7.528 -2.781 5.480 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.290 -0.598 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.652 -1.685 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.008 -2.865 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.655 -3.776 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.536 -2.728 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.272 -4.825 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.694 -3.801 9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.458 -5.852 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.273 -4.815 7.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.137 -6.567 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.847 -5.905 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.766 -7.172 8.287 1.00 0.00 H new ATOM 161 N VAL A 94 -7.441 0.353 7.828 1.00 0.00 N ATOM 162 CA VAL A 94 -6.332 1.053 8.432 1.00 0.00 C ATOM 163 C VAL A 94 -5.694 0.183 9.521 1.00 0.00 C ATOM 164 O VAL A 94 -6.392 -0.333 10.413 1.00 0.00 O ATOM 165 CB VAL A 94 -6.779 2.412 9.033 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.620 3.113 9.699 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.371 3.306 7.962 1.00 0.00 C ATOM 0 H VAL A 94 -8.345 0.802 7.977 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.598 1.256 7.652 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.543 2.207 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.958 4.063 10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.228 2.487 10.501 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.835 3.296 8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.677 4.253 8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.624 3.492 7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.238 2.817 7.518 1.00 0.00 H new ATOM 177 N GLY A 95 -4.395 0.016 9.439 1.00 0.00 N ATOM 178 CA GLY A 95 -3.692 -0.786 10.403 1.00 0.00 C ATOM 179 C GLY A 95 -3.419 -2.175 9.887 1.00 0.00 C ATOM 180 O GLY A 95 -3.055 -3.071 10.653 1.00 0.00 O ATOM 0 H GLY A 95 -3.807 0.426 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.749 -0.302 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.278 -0.848 11.320 1.00 0.00 H new ATOM 184 N ASP A 96 -3.610 -2.373 8.602 1.00 0.00 N ATOM 185 CA ASP A 96 -3.346 -3.665 7.984 1.00 0.00 C ATOM 186 C ASP A 96 -2.124 -3.542 7.128 1.00 0.00 C ATOM 187 O ASP A 96 -1.844 -2.456 6.591 1.00 0.00 O ATOM 188 CB ASP A 96 -4.485 -4.079 7.073 1.00 0.00 C ATOM 189 CG ASP A 96 -4.978 -5.484 7.318 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.167 -6.397 7.546 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.212 -5.707 7.296 1.00 0.00 O ATOM 0 H ASP A 96 -3.948 -1.658 7.958 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.223 -4.403 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.315 -3.384 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.159 -3.993 6.036 1.00 0.00 H new ATOM 196 N LYS A 97 -1.378 -4.600 7.017 1.00 0.00 N ATOM 197 CA LYS A 97 -0.235 -4.629 6.173 1.00 0.00 C ATOM 198 C LYS A 97 -0.599 -4.971 4.762 1.00 0.00 C ATOM 199 O LYS A 97 -1.603 -5.657 4.495 1.00 0.00 O ATOM 200 CB LYS A 97 0.725 -5.622 6.700 1.00 0.00 C ATOM 201 CG LYS A 97 1.206 -5.243 8.043 1.00 0.00 C ATOM 202 CD LYS A 97 1.963 -6.347 8.648 1.00 0.00 C ATOM 203 CE LYS A 97 2.648 -5.869 9.892 1.00 0.00 C ATOM 204 NZ LYS A 97 3.438 -6.933 10.556 1.00 0.00 N ATOM 0 H LYS A 97 -1.552 -5.472 7.517 1.00 0.00 H new ATOM 0 HA LYS A 97 0.214 -3.636 6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.250 -6.602 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.572 -5.709 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.837 -4.357 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.360 -4.983 8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.293 -7.173 8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.699 -6.727 7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.306 -5.036 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.902 -5.488 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.890 -6.548 11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.809 -7.718 10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.170 -7.280 9.904 1.00 0.00 H new ATOM 218 N CYS A 98 0.231 -4.534 3.881 1.00 0.00 N ATOM 219 CA CYS A 98 0.038 -4.702 2.477 1.00 0.00 C ATOM 220 C CYS A 98 1.370 -4.504 1.773 1.00 0.00 C ATOM 221 O CYS A 98 2.426 -4.436 2.414 1.00 0.00 O ATOM 222 CB CYS A 98 -0.994 -3.674 1.969 1.00 0.00 C ATOM 223 SG CYS A 98 -0.521 -1.964 2.268 1.00 0.00 S ATOM 0 H CYS A 98 1.088 -4.035 4.120 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.338 -5.704 2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.141 -3.819 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.952 -3.866 2.451 1.00 0.00 H new ATOM 0 HG CYS A 98 0.502 -1.931 3.070 1.00 0.00 H new ATOM 229 N SER A 99 1.320 -4.442 0.502 1.00 0.00 N ATOM 230 CA SER A 99 2.457 -4.164 -0.309 1.00 0.00 C ATOM 231 C SER A 99 2.122 -3.019 -1.217 1.00 0.00 C ATOM 232 O SER A 99 0.986 -2.914 -1.704 1.00 0.00 O ATOM 233 CB SER A 99 2.864 -5.392 -1.095 1.00 0.00 C ATOM 234 OG SER A 99 3.308 -6.416 -0.238 1.00 0.00 O ATOM 0 H SER A 99 0.462 -4.587 -0.031 1.00 0.00 H new ATOM 0 HA SER A 99 3.306 -3.890 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.019 -5.747 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.656 -5.132 -1.798 1.00 0.00 H new ATOM 0 HG SER A 99 2.966 -7.278 -0.554 1.00 0.00 H new ATOM 240 N ALA A 100 3.067 -2.159 -1.413 1.00 0.00 N ATOM 241 CA ALA A 100 2.871 -0.991 -2.201 1.00 0.00 C ATOM 242 C ALA A 100 4.011 -0.824 -3.161 1.00 0.00 C ATOM 243 O ALA A 100 5.086 -1.409 -2.969 1.00 0.00 O ATOM 244 CB ALA A 100 2.774 0.215 -1.300 1.00 0.00 C ATOM 0 H ALA A 100 4.006 -2.250 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 100 1.946 -1.091 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.624 1.110 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.933 0.093 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.695 0.315 -0.726 1.00 0.00 H new ATOM 250 N ILE A 101 3.777 -0.063 -4.186 1.00 0.00 N ATOM 251 CA ILE A 101 4.775 0.241 -5.164 1.00 0.00 C ATOM 252 C ILE A 101 5.462 1.524 -4.788 1.00 0.00 C ATOM 253 O ILE A 101 4.837 2.595 -4.784 1.00 0.00 O ATOM 254 CB ILE A 101 4.157 0.367 -6.580 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.734 -1.012 -7.106 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.113 1.065 -7.559 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.871 -1.909 -7.526 1.00 0.00 C ATOM 0 H ILE A 101 2.872 0.371 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 101 5.497 -0.575 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 101 3.268 0.993 -6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.158 -1.519 -6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.068 -0.871 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.643 1.134 -8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.340 2.067 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.036 0.490 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.473 -2.859 -7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.436 -1.430 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.527 -2.088 -6.674 1.00 0.00 H new ATOM 269 N TRP A 102 6.728 1.423 -4.457 1.00 0.00 N ATOM 270 CA TRP A 102 7.492 2.587 -4.125 1.00 0.00 C ATOM 271 C TRP A 102 7.659 3.357 -5.363 1.00 0.00 C ATOM 272 O TRP A 102 8.273 2.883 -6.302 1.00 0.00 O ATOM 273 CB TRP A 102 8.863 2.249 -3.567 1.00 0.00 C ATOM 274 CG TRP A 102 9.502 3.397 -2.835 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.855 4.413 -2.197 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.900 3.628 -2.631 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.761 5.256 -1.618 1.00 0.00 N ATOM 278 CE2 TRP A 102 11.022 4.796 -1.864 1.00 0.00 C ATOM 279 CE3 TRP A 102 12.052 2.965 -3.017 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.255 5.308 -1.482 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.274 3.475 -2.641 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.363 4.638 -1.877 1.00 0.00 C ATOM 0 H TRP A 102 7.244 0.544 -4.412 1.00 0.00 H new ATOM 0 HA TRP A 102 6.964 3.145 -3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.774 1.399 -2.890 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.515 1.939 -4.384 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.783 4.534 -2.155 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.531 6.096 -1.086 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.993 2.061 -3.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.327 6.209 -0.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.178 2.966 -2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.336 5.012 -1.595 1.00 0.00 H new ATOM 293 N SER A 103 7.177 4.541 -5.349 1.00 0.00 N ATOM 294 CA SER A 103 7.146 5.378 -6.491 1.00 0.00 C ATOM 295 C SER A 103 8.535 5.740 -6.991 1.00 0.00 C ATOM 296 O SER A 103 8.720 6.148 -8.132 1.00 0.00 O ATOM 297 CB SER A 103 6.359 6.583 -6.133 1.00 0.00 C ATOM 298 OG SER A 103 5.004 6.227 -5.841 1.00 0.00 O ATOM 0 H SER A 103 6.779 4.972 -4.514 1.00 0.00 H new ATOM 0 HA SER A 103 6.679 4.848 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.807 7.074 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.384 7.299 -6.955 1.00 0.00 H new ATOM 0 HG SER A 103 4.498 7.032 -5.605 1.00 0.00 H new ATOM 304 N GLU A 104 9.494 5.557 -6.147 1.00 0.00 N ATOM 305 CA GLU A 104 10.850 5.879 -6.456 1.00 0.00 C ATOM 306 C GLU A 104 11.544 4.770 -7.212 1.00 0.00 C ATOM 307 O GLU A 104 12.230 5.025 -8.197 1.00 0.00 O ATOM 308 CB GLU A 104 11.541 6.120 -5.170 1.00 0.00 C ATOM 309 CG GLU A 104 10.915 7.248 -4.431 1.00 0.00 C ATOM 310 CD GLU A 104 11.474 8.583 -4.824 1.00 0.00 C ATOM 311 OE1 GLU A 104 12.497 9.003 -4.240 1.00 0.00 O ATOM 312 OE2 GLU A 104 10.913 9.233 -5.738 1.00 0.00 O ATOM 0 H GLU A 104 9.359 5.175 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 104 10.876 6.757 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.506 5.217 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.593 6.340 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.840 7.242 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.059 7.100 -3.361 1.00 0.00 H new ATOM 319 N ASP A 105 11.327 3.541 -6.798 1.00 0.00 N ATOM 320 CA ASP A 105 12.061 2.436 -7.394 1.00 0.00 C ATOM 321 C ASP A 105 11.144 1.652 -8.322 1.00 0.00 C ATOM 322 O ASP A 105 11.588 0.876 -9.155 1.00 0.00 O ATOM 323 CB ASP A 105 12.583 1.530 -6.269 1.00 0.00 C ATOM 324 CG ASP A 105 13.702 0.603 -6.687 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.440 -0.510 -7.153 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.884 0.977 -6.504 1.00 0.00 O ATOM 0 H ASP A 105 10.664 3.280 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 105 12.901 2.814 -7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.932 2.155 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.756 0.933 -5.886 1.00 0.00 H new ATOM 331 N GLY A 106 9.847 1.882 -8.168 1.00 0.00 N ATOM 332 CA GLY A 106 8.834 1.245 -9.006 1.00 0.00 C ATOM 333 C GLY A 106 8.531 -0.169 -8.559 1.00 0.00 C ATOM 334 O GLY A 106 7.665 -0.844 -9.115 1.00 0.00 O ATOM 0 H GLY A 106 9.466 2.512 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.919 1.837 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.176 1.232 -10.041 1.00 0.00 H new ATOM 338 N CYS A 107 9.255 -0.601 -7.571 1.00 0.00 N ATOM 339 CA CYS A 107 9.183 -1.907 -7.054 1.00 0.00 C ATOM 340 C CYS A 107 8.183 -2.048 -5.923 1.00 0.00 C ATOM 341 O CYS A 107 7.723 -1.055 -5.352 1.00 0.00 O ATOM 342 CB CYS A 107 10.557 -2.299 -6.634 1.00 0.00 C ATOM 343 SG CYS A 107 11.669 -2.595 -8.009 1.00 0.00 S ATOM 0 H CYS A 107 9.939 -0.015 -7.091 1.00 0.00 H new ATOM 0 HA CYS A 107 8.814 -2.579 -7.829 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.973 -1.514 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.498 -3.200 -6.024 1.00 0.00 H new ATOM 0 HG CYS A 107 12.669 -1.766 -7.945 1.00 0.00 H new ATOM 349 N ILE A 108 7.880 -3.281 -5.599 1.00 0.00 N ATOM 350 CA ILE A 108 6.946 -3.619 -4.553 1.00 0.00 C ATOM 351 C ILE A 108 7.679 -3.736 -3.237 1.00 0.00 C ATOM 352 O ILE A 108 8.753 -4.344 -3.172 1.00 0.00 O ATOM 353 CB ILE A 108 6.287 -4.972 -4.833 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.780 -5.016 -6.266 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.147 -5.184 -3.852 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.138 -6.327 -6.664 1.00 0.00 C ATOM 0 H ILE A 108 8.284 -4.094 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 108 6.189 -2.836 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 108 7.017 -5.771 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.056 -4.214 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.613 -4.815 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.674 -6.146 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.536 -5.170 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.412 -4.388 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.806 -6.270 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.863 -7.134 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.282 -6.523 -6.019 1.00 0.00 H new ATOM 368 N TYR A 109 7.122 -3.151 -2.213 1.00 0.00 N ATOM 369 CA TYR A 109 7.689 -3.178 -0.889 1.00 0.00 C ATOM 370 C TYR A 109 6.591 -3.321 0.151 1.00 0.00 C ATOM 371 O TYR A 109 5.446 -2.919 -0.105 1.00 0.00 O ATOM 372 CB TYR A 109 8.485 -1.910 -0.631 1.00 0.00 C ATOM 373 CG TYR A 109 9.704 -1.753 -1.503 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.636 -1.094 -2.720 1.00 0.00 C ATOM 375 CD2 TYR A 109 10.927 -2.234 -1.093 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.754 -0.923 -3.495 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.047 -2.076 -1.865 1.00 0.00 C ATOM 378 CZ TYR A 109 11.957 -1.418 -3.065 1.00 0.00 C ATOM 379 OH TYR A 109 13.079 -1.251 -3.836 1.00 0.00 O ATOM 0 H TYR A 109 6.246 -2.632 -2.274 1.00 0.00 H new ATOM 0 HA TYR A 109 8.358 -4.035 -0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.833 -1.049 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.796 -1.897 0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.687 -0.709 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.005 -2.745 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.687 -0.401 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.996 -2.468 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 109 13.848 -1.660 -3.387 1.00 0.00 H new ATOM 389 N PRO A 110 6.903 -3.919 1.324 1.00 0.00 N ATOM 390 CA PRO A 110 5.927 -4.090 2.398 1.00 0.00 C ATOM 391 C PRO A 110 5.586 -2.750 3.047 1.00 0.00 C ATOM 392 O PRO A 110 6.478 -1.981 3.443 1.00 0.00 O ATOM 393 CB PRO A 110 6.642 -5.007 3.398 1.00 0.00 C ATOM 394 CG PRO A 110 8.091 -4.766 3.166 1.00 0.00 C ATOM 395 CD PRO A 110 8.234 -4.455 1.702 1.00 0.00 C ATOM 0 HA PRO A 110 4.982 -4.501 2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.361 -4.769 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.383 -6.053 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.451 -3.938 3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.680 -5.642 3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.025 -3.726 1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.485 -5.346 1.126 1.00 0.00 H new ATOM 403 N ALA A 111 4.327 -2.470 3.154 1.00 0.00 N ATOM 404 CA ALA A 111 3.877 -1.237 3.700 1.00 0.00 C ATOM 405 C ALA A 111 2.614 -1.452 4.495 1.00 0.00 C ATOM 406 O ALA A 111 1.838 -2.339 4.198 1.00 0.00 O ATOM 407 CB ALA A 111 3.646 -0.235 2.593 1.00 0.00 C ATOM 0 H ALA A 111 3.578 -3.098 2.862 1.00 0.00 H new ATOM 0 HA ALA A 111 4.642 -0.843 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.301 0.707 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.578 -0.069 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.892 -0.619 1.906 1.00 0.00 H new ATOM 413 N THR A 112 2.409 -0.655 5.482 1.00 0.00 N ATOM 414 CA THR A 112 1.249 -0.793 6.320 1.00 0.00 C ATOM 415 C THR A 112 0.354 0.416 6.140 1.00 0.00 C ATOM 416 O THR A 112 0.837 1.544 6.094 1.00 0.00 O ATOM 417 CB THR A 112 1.647 -0.932 7.802 1.00 0.00 C ATOM 418 OG1 THR A 112 2.619 -1.989 7.946 1.00 0.00 O ATOM 419 CG2 THR A 112 0.425 -1.257 8.664 1.00 0.00 C ATOM 0 H THR A 112 3.031 0.111 5.739 1.00 0.00 H new ATOM 0 HA THR A 112 0.715 -1.697 6.027 1.00 0.00 H new ATOM 0 HB THR A 112 2.072 0.015 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.461 -1.719 7.524 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.730 -1.351 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.309 -0.457 8.571 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.017 -2.196 8.329 1.00 0.00 H new ATOM 427 N ILE A 113 -0.922 0.178 6.028 1.00 0.00 N ATOM 428 CA ILE A 113 -1.895 1.223 5.825 1.00 0.00 C ATOM 429 C ILE A 113 -1.984 2.109 7.064 1.00 0.00 C ATOM 430 O ILE A 113 -2.269 1.627 8.167 1.00 0.00 O ATOM 431 CB ILE A 113 -3.262 0.602 5.541 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.137 -0.356 4.362 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.285 1.690 5.234 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.295 -1.285 4.223 1.00 0.00 C ATOM 0 H ILE A 113 -1.325 -0.758 6.075 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.587 1.833 4.976 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.602 0.054 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.034 0.222 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.224 -0.941 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.254 1.232 5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.370 2.361 6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.963 2.256 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.137 -1.937 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.387 -1.890 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.209 -0.708 4.078 1.00 0.00 H new ATOM 446 N ALA A 114 -1.721 3.376 6.879 1.00 0.00 N ATOM 447 CA ALA A 114 -1.756 4.343 7.951 1.00 0.00 C ATOM 448 C ALA A 114 -3.080 5.071 7.970 1.00 0.00 C ATOM 449 O ALA A 114 -3.558 5.471 9.026 1.00 0.00 O ATOM 450 CB ALA A 114 -0.617 5.332 7.807 1.00 0.00 C ATOM 0 H ALA A 114 -1.474 3.772 5.972 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.641 3.811 8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.657 6.054 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.334 4.800 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.707 5.855 6.855 1.00 0.00 H new ATOM 456 N SER A 115 -3.668 5.247 6.806 1.00 0.00 N ATOM 457 CA SER A 115 -4.934 5.922 6.691 1.00 0.00 C ATOM 458 C SER A 115 -5.530 5.637 5.326 1.00 0.00 C ATOM 459 O SER A 115 -4.792 5.362 4.388 1.00 0.00 O ATOM 460 CB SER A 115 -4.718 7.417 6.874 1.00 0.00 C ATOM 461 OG SER A 115 -3.755 7.904 5.938 1.00 0.00 O ATOM 0 H SER A 115 -3.280 4.926 5.919 1.00 0.00 H new ATOM 0 HA SER A 115 -5.622 5.565 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.662 7.945 6.741 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.380 7.619 7.890 1.00 0.00 H new ATOM 0 HG SER A 115 -3.630 8.867 6.069 1.00 0.00 H new ATOM 467 N ILE A 116 -6.840 5.684 5.223 1.00 0.00 N ATOM 468 CA ILE A 116 -7.536 5.440 3.979 1.00 0.00 C ATOM 469 C ILE A 116 -8.485 6.590 3.670 1.00 0.00 C ATOM 470 O ILE A 116 -9.275 6.994 4.522 1.00 0.00 O ATOM 471 CB ILE A 116 -8.371 4.133 4.050 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.477 2.923 4.308 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.176 3.941 2.773 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.231 1.632 4.468 1.00 0.00 C ATOM 0 H ILE A 116 -7.457 5.894 6.007 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.781 5.349 3.198 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.065 4.223 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.773 2.821 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.889 3.103 5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.754 3.020 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.853 4.785 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.498 3.881 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.527 0.819 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.916 1.713 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.797 1.427 3.560 1.00 0.00 H new ATOM 486 N ASP A 117 -8.396 7.105 2.473 1.00 0.00 N ATOM 487 CA ASP A 117 -9.301 8.126 1.995 1.00 0.00 C ATOM 488 C ASP A 117 -10.187 7.483 0.968 1.00 0.00 C ATOM 489 O ASP A 117 -9.783 7.282 -0.177 1.00 0.00 O ATOM 490 CB ASP A 117 -8.563 9.313 1.370 1.00 0.00 C ATOM 491 CG ASP A 117 -9.503 10.466 1.042 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.222 10.415 0.017 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.553 11.439 1.828 1.00 0.00 O ATOM 0 H ASP A 117 -7.688 6.828 1.793 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.872 8.522 2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.790 9.660 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.059 8.987 0.460 1.00 0.00 H new ATOM 498 N PHE A 118 -11.377 7.119 1.374 1.00 0.00 N ATOM 499 CA PHE A 118 -12.303 6.400 0.507 1.00 0.00 C ATOM 500 C PHE A 118 -12.803 7.255 -0.640 1.00 0.00 C ATOM 501 O PHE A 118 -13.246 6.732 -1.658 1.00 0.00 O ATOM 502 CB PHE A 118 -13.489 5.848 1.297 1.00 0.00 C ATOM 503 CG PHE A 118 -13.133 4.791 2.302 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.884 3.489 1.901 1.00 0.00 C ATOM 505 CD2 PHE A 118 -13.059 5.093 3.648 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.565 2.513 2.827 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.742 4.127 4.573 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.495 2.835 4.165 1.00 0.00 C ATOM 0 H PHE A 118 -11.739 7.307 2.309 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.740 5.568 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.979 6.673 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.215 5.435 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.940 3.233 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.253 6.103 3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.371 1.501 2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.687 4.381 5.621 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.247 2.076 4.892 1.00 0.00 H new ATOM 518 N LYS A 119 -12.693 8.557 -0.497 1.00 0.00 N ATOM 519 CA LYS A 119 -13.179 9.462 -1.517 1.00 0.00 C ATOM 520 C LYS A 119 -12.248 9.428 -2.729 1.00 0.00 C ATOM 521 O LYS A 119 -12.695 9.442 -3.884 1.00 0.00 O ATOM 522 CB LYS A 119 -13.358 10.909 -0.996 1.00 0.00 C ATOM 523 CG LYS A 119 -14.391 11.102 0.140 1.00 0.00 C ATOM 524 CD LYS A 119 -13.886 10.667 1.525 1.00 0.00 C ATOM 525 CE LYS A 119 -12.732 11.546 2.001 1.00 0.00 C ATOM 526 NZ LYS A 119 -12.278 11.201 3.370 1.00 0.00 N ATOM 0 H LYS A 119 -12.273 9.013 0.313 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.170 9.119 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.391 11.269 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.648 11.542 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.677 12.153 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.291 10.536 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.704 10.717 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.560 9.628 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.896 11.447 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.043 12.591 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -12.587 11.939 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.688 10.287 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.240 11.134 3.385 1.00 0.00 H new ATOM 540 N ARG A 120 -10.952 9.365 -2.467 1.00 0.00 N ATOM 541 CA ARG A 120 -9.968 9.256 -3.534 1.00 0.00 C ATOM 542 C ARG A 120 -9.690 7.795 -3.858 1.00 0.00 C ATOM 543 O ARG A 120 -9.039 7.485 -4.870 1.00 0.00 O ATOM 544 CB ARG A 120 -8.658 9.871 -3.072 1.00 0.00 C ATOM 545 CG ARG A 120 -8.695 11.349 -2.771 1.00 0.00 C ATOM 546 CD ARG A 120 -8.943 12.158 -4.016 1.00 0.00 C ATOM 547 NE ARG A 120 -8.735 13.584 -3.768 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.931 14.388 -4.482 1.00 0.00 C ATOM 549 NH1 ARG A 120 -7.393 13.968 -5.635 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.697 15.624 -4.055 1.00 0.00 N ATOM 0 H ARG A 120 -10.557 9.387 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.361 9.768 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.328 9.345 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.905 9.695 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.478 11.553 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.751 11.654 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.276 11.823 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.962 11.991 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.243 14.002 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.593 13.029 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.784 14.588 -6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.127 15.955 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -7.088 16.242 -4.591 1.00 0.00 H new ATOM 564 N GLU A 121 -10.231 6.907 -3.019 1.00 0.00 N ATOM 565 CA GLU A 121 -9.970 5.458 -3.070 1.00 0.00 C ATOM 566 C GLU A 121 -8.489 5.174 -2.843 1.00 0.00 C ATOM 567 O GLU A 121 -7.964 4.126 -3.242 1.00 0.00 O ATOM 568 CB GLU A 121 -10.454 4.812 -4.378 1.00 0.00 C ATOM 569 CG GLU A 121 -11.957 4.777 -4.538 1.00 0.00 C ATOM 570 CD GLU A 121 -12.381 4.106 -5.819 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.235 2.868 -5.936 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.898 4.804 -6.727 1.00 0.00 O ATOM 0 H GLU A 121 -10.873 7.174 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.548 5.003 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.024 5.356 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.071 3.793 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.398 4.250 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.346 5.795 -4.518 1.00 0.00 H new ATOM 579 N THR A 122 -7.828 6.075 -2.165 1.00 0.00 N ATOM 580 CA THR A 122 -6.438 5.926 -1.917 1.00 0.00 C ATOM 581 C THR A 122 -6.174 5.826 -0.431 1.00 0.00 C ATOM 582 O THR A 122 -7.015 6.178 0.383 1.00 0.00 O ATOM 583 CB THR A 122 -5.614 7.078 -2.525 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.042 8.335 -1.986 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.740 7.121 -4.040 1.00 0.00 C ATOM 0 H THR A 122 -8.243 6.922 -1.777 1.00 0.00 H new ATOM 0 HA THR A 122 -6.121 5.003 -2.402 1.00 0.00 H new ATOM 0 HB THR A 122 -4.570 6.898 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.772 9.059 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.145 7.946 -4.431 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.380 6.182 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.785 7.265 -4.314 1.00 0.00 H new ATOM 593 N CYS A 123 -5.036 5.345 -0.087 1.00 0.00 N ATOM 594 CA CYS A 123 -4.649 5.195 1.269 1.00 0.00 C ATOM 595 C CYS A 123 -3.174 5.448 1.403 1.00 0.00 C ATOM 596 O CYS A 123 -2.405 5.199 0.473 1.00 0.00 O ATOM 597 CB CYS A 123 -4.994 3.794 1.741 1.00 0.00 C ATOM 598 SG CYS A 123 -4.386 2.502 0.643 1.00 0.00 S ATOM 0 H CYS A 123 -4.330 5.037 -0.756 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.184 5.916 1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.578 3.641 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.077 3.705 1.831 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.023 3.029 -0.489 1.00 0.00 H new ATOM 604 N VAL A 124 -2.779 5.918 2.531 1.00 0.00 N ATOM 605 CA VAL A 124 -1.402 6.195 2.784 1.00 0.00 C ATOM 606 C VAL A 124 -0.819 5.008 3.483 1.00 0.00 C ATOM 607 O VAL A 124 -1.414 4.494 4.435 1.00 0.00 O ATOM 608 CB VAL A 124 -1.219 7.465 3.659 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.251 7.711 3.971 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.816 8.676 2.963 1.00 0.00 C ATOM 0 H VAL A 124 -3.402 6.124 3.312 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.895 6.383 1.838 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.743 7.302 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.348 8.607 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.656 6.855 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.803 7.847 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.680 9.559 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.317 8.829 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.880 8.511 2.795 1.00 0.00 H new ATOM 620 N VAL A 125 0.307 4.556 3.020 1.00 0.00 N ATOM 621 CA VAL A 125 0.936 3.422 3.600 1.00 0.00 C ATOM 622 C VAL A 125 2.343 3.789 4.044 1.00 0.00 C ATOM 623 O VAL A 125 2.986 4.668 3.461 1.00 0.00 O ATOM 624 CB VAL A 125 1.015 2.231 2.595 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.363 1.802 2.102 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.939 2.559 1.422 1.00 0.00 C ATOM 0 H VAL A 125 0.809 4.965 2.232 1.00 0.00 H new ATOM 0 HA VAL A 125 0.336 3.111 4.455 1.00 0.00 H new ATOM 0 HB VAL A 125 1.439 1.386 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.258 0.971 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.972 1.489 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.846 2.639 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.974 1.711 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.561 3.435 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.942 2.766 1.796 1.00 0.00 H new ATOM 636 N VAL A 126 2.774 3.163 5.090 1.00 0.00 N ATOM 637 CA VAL A 126 4.094 3.341 5.625 1.00 0.00 C ATOM 638 C VAL A 126 4.917 2.136 5.274 1.00 0.00 C ATOM 639 O VAL A 126 4.544 1.020 5.608 1.00 0.00 O ATOM 640 CB VAL A 126 4.072 3.507 7.165 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.494 3.518 7.732 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.331 4.780 7.550 1.00 0.00 C ATOM 0 H VAL A 126 2.207 2.496 5.613 1.00 0.00 H new ATOM 0 HA VAL A 126 4.520 4.248 5.196 1.00 0.00 H new ATOM 0 HB VAL A 126 3.544 2.655 7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.453 3.636 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.990 2.579 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.052 4.347 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.324 4.883 8.635 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.832 5.641 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.306 4.729 7.184 1.00 0.00 H new ATOM 652 N TYR A 127 6.004 2.356 4.589 1.00 0.00 N ATOM 653 CA TYR A 127 6.886 1.289 4.202 1.00 0.00 C ATOM 654 C TYR A 127 7.584 0.736 5.407 1.00 0.00 C ATOM 655 O TYR A 127 8.392 1.428 6.068 1.00 0.00 O ATOM 656 CB TYR A 127 7.883 1.747 3.164 1.00 0.00 C ATOM 657 CG TYR A 127 7.243 2.148 1.872 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.800 1.185 0.978 1.00 0.00 C ATOM 659 CD2 TYR A 127 7.066 3.480 1.545 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.205 1.538 -0.202 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.462 3.842 0.372 1.00 0.00 C ATOM 662 CZ TYR A 127 6.033 2.870 -0.504 1.00 0.00 C ATOM 663 OH TYR A 127 5.388 3.228 -1.669 1.00 0.00 O ATOM 0 H TYR A 127 6.305 3.281 4.282 1.00 0.00 H new ATOM 0 HA TYR A 127 6.287 0.498 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.449 2.591 3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.597 0.945 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.927 0.139 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.409 4.245 2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.872 0.777 -0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.322 4.886 0.134 1.00 0.00 H new ATOM 0 HH TYR A 127 5.703 4.109 -1.960 1.00 0.00 H new ATOM 673 N THR A 128 7.278 -0.489 5.681 1.00 0.00 N ATOM 674 CA THR A 128 7.736 -1.178 6.828 1.00 0.00 C ATOM 675 C THR A 128 9.245 -1.385 6.766 1.00 0.00 C ATOM 676 O THR A 128 9.793 -1.831 5.746 1.00 0.00 O ATOM 677 CB THR A 128 7.012 -2.519 6.889 1.00 0.00 C ATOM 678 OG1 THR A 128 5.590 -2.282 6.846 1.00 0.00 O ATOM 679 CG2 THR A 128 7.368 -3.281 8.140 1.00 0.00 C ATOM 0 H THR A 128 6.676 -1.055 5.083 1.00 0.00 H new ATOM 0 HA THR A 128 7.525 -0.595 7.724 1.00 0.00 H new ATOM 0 HB THR A 128 7.321 -3.123 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.114 -3.138 6.883 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.835 -4.232 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.442 -3.467 8.159 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.085 -2.696 9.015 1.00 0.00 H new ATOM 687 N GLY A 129 9.906 -1.026 7.841 1.00 0.00 N ATOM 688 CA GLY A 129 11.330 -1.174 7.920 1.00 0.00 C ATOM 689 C GLY A 129 12.050 0.049 7.411 1.00 0.00 C ATOM 690 O GLY A 129 13.228 0.241 7.682 1.00 0.00 O ATOM 0 H GLY A 129 9.473 -0.628 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.619 -1.362 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.638 -2.044 7.340 1.00 0.00 H new ATOM 694 N TYR A 130 11.351 0.894 6.682 1.00 0.00 N ATOM 695 CA TYR A 130 11.973 2.061 6.127 1.00 0.00 C ATOM 696 C TYR A 130 11.489 3.313 6.818 1.00 0.00 C ATOM 697 O TYR A 130 12.279 4.172 7.180 1.00 0.00 O ATOM 698 CB TYR A 130 11.712 2.143 4.648 1.00 0.00 C ATOM 699 CG TYR A 130 12.228 0.966 3.856 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.575 0.832 3.580 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.360 0.009 3.353 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.046 -0.218 2.823 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.822 -1.047 2.602 1.00 0.00 C ATOM 704 CZ TYR A 130 13.167 -1.154 2.336 1.00 0.00 C ATOM 705 OH TYR A 130 13.637 -2.208 1.571 1.00 0.00 O ATOM 0 H TYR A 130 10.360 0.790 6.465 1.00 0.00 H new ATOM 0 HA TYR A 130 13.048 1.980 6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.638 2.231 4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.169 3.054 4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.271 1.563 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.302 0.094 3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.102 -0.305 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.133 -1.787 2.224 1.00 0.00 H new ATOM 0 HH TYR A 130 12.887 -2.780 1.306 1.00 0.00 H new ATOM 715 N GLY A 131 10.192 3.420 6.994 1.00 0.00 N ATOM 716 CA GLY A 131 9.654 4.557 7.694 1.00 0.00 C ATOM 717 C GLY A 131 9.151 5.657 6.783 1.00 0.00 C ATOM 718 O GLY A 131 8.876 6.766 7.244 1.00 0.00 O ATOM 0 H GLY A 131 9.502 2.744 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.835 4.224 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.423 4.965 8.350 1.00 0.00 H new ATOM 722 N ASN A 132 9.029 5.384 5.501 1.00 0.00 N ATOM 723 CA ASN A 132 8.451 6.396 4.612 1.00 0.00 C ATOM 724 C ASN A 132 7.002 6.148 4.475 1.00 0.00 C ATOM 725 O ASN A 132 6.538 5.037 4.710 1.00 0.00 O ATOM 726 CB ASN A 132 9.057 6.478 3.200 1.00 0.00 C ATOM 727 CG ASN A 132 10.423 7.133 3.113 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.780 7.984 3.937 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.170 6.790 2.082 1.00 0.00 N ATOM 0 H ASN A 132 9.307 4.510 5.055 1.00 0.00 H new ATOM 0 HA ASN A 132 8.680 7.349 5.090 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.131 5.468 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.368 7.028 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.079 7.231 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.839 6.083 1.425 1.00 0.00 H new ATOM 736 N ARG A 133 6.297 7.136 4.055 1.00 0.00 N ATOM 737 CA ARG A 133 4.884 7.014 3.886 1.00 0.00 C ATOM 738 C ARG A 133 4.510 7.595 2.541 1.00 0.00 C ATOM 739 O ARG A 133 4.991 8.666 2.159 1.00 0.00 O ATOM 740 CB ARG A 133 4.126 7.651 5.087 1.00 0.00 C ATOM 741 CG ARG A 133 4.257 9.161 5.246 1.00 0.00 C ATOM 742 CD ARG A 133 3.138 9.894 4.534 1.00 0.00 C ATOM 743 NE ARG A 133 3.295 11.351 4.585 1.00 0.00 N ATOM 744 CZ ARG A 133 2.314 12.237 4.365 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.047 11.833 4.302 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.596 13.531 4.258 1.00 0.00 N ATOM 0 H ARG A 133 6.677 8.052 3.818 1.00 0.00 H new ATOM 0 HA ARG A 133 4.580 5.967 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.068 7.408 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.480 7.179 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.246 9.419 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.218 9.488 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.103 9.572 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.184 9.619 4.985 1.00 0.00 H new ATOM 0 HE ARG A 133 4.221 11.718 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.820 10.846 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.303 12.511 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.561 13.852 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.848 14.204 4.091 1.00 0.00 H new ATOM 760 N GLU A 134 3.681 6.893 1.840 1.00 0.00 N ATOM 761 CA GLU A 134 3.325 7.211 0.500 1.00 0.00 C ATOM 762 C GLU A 134 1.887 6.790 0.258 1.00 0.00 C ATOM 763 O GLU A 134 1.402 5.870 0.913 1.00 0.00 O ATOM 764 CB GLU A 134 4.317 6.497 -0.419 1.00 0.00 C ATOM 765 CG GLU A 134 4.009 6.565 -1.873 1.00 0.00 C ATOM 766 CD GLU A 134 5.258 6.477 -2.712 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.944 7.512 -2.866 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.586 5.390 -3.229 1.00 0.00 O ATOM 0 H GLU A 134 3.220 6.056 2.197 1.00 0.00 H new ATOM 0 HA GLU A 134 3.379 8.281 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.307 6.922 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.367 5.449 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.333 5.753 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.489 7.498 -2.092 1.00 0.00 H new ATOM 775 N GLU A 135 1.204 7.454 -0.638 1.00 0.00 N ATOM 776 CA GLU A 135 -0.175 7.179 -0.859 1.00 0.00 C ATOM 777 C GLU A 135 -0.365 6.344 -2.106 1.00 0.00 C ATOM 778 O GLU A 135 0.092 6.689 -3.200 1.00 0.00 O ATOM 779 CB GLU A 135 -0.975 8.464 -0.949 1.00 0.00 C ATOM 780 CG GLU A 135 -2.462 8.230 -1.049 1.00 0.00 C ATOM 781 CD GLU A 135 -3.243 9.489 -1.154 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.526 10.113 -0.130 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.623 9.872 -2.273 1.00 0.00 O ATOM 0 H GLU A 135 1.592 8.192 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.544 6.608 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.768 9.076 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.643 9.031 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.668 7.608 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.796 7.674 -0.173 1.00 0.00 H new ATOM 790 N GLN A 136 -1.055 5.268 -1.923 1.00 0.00 N ATOM 791 CA GLN A 136 -1.320 4.296 -2.936 1.00 0.00 C ATOM 792 C GLN A 136 -2.820 4.136 -3.029 1.00 0.00 C ATOM 793 O GLN A 136 -3.531 4.545 -2.130 1.00 0.00 O ATOM 794 CB GLN A 136 -0.740 2.971 -2.511 1.00 0.00 C ATOM 795 CG GLN A 136 0.741 2.989 -2.158 1.00 0.00 C ATOM 796 CD GLN A 136 1.656 3.075 -3.368 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.308 2.649 -4.470 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.845 3.539 -3.164 1.00 0.00 N ATOM 0 H GLN A 136 -1.470 5.030 -1.022 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.888 4.608 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.298 2.610 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.896 2.251 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.939 3.837 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 136 0.982 2.088 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.106 3.885 -2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.522 3.559 -3.926 1.00 0.00 H new ATOM 807 N ASN A 137 -3.286 3.554 -4.077 1.00 0.00 N ATOM 808 CA ASN A 137 -4.719 3.315 -4.252 1.00 0.00 C ATOM 809 C ASN A 137 -5.068 2.016 -3.604 1.00 0.00 C ATOM 810 O ASN A 137 -4.283 1.084 -3.658 1.00 0.00 O ATOM 811 CB ASN A 137 -5.077 3.198 -5.724 1.00 0.00 C ATOM 812 CG ASN A 137 -4.633 4.362 -6.562 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.372 5.313 -6.769 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.413 4.305 -7.024 1.00 0.00 N ATOM 0 H ASN A 137 -2.707 3.222 -4.848 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.262 4.150 -3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.631 2.287 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.158 3.091 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.043 5.074 -7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.830 3.491 -6.827 1.00 0.00 H new ATOM 821 N LEU A 138 -6.240 1.947 -3.023 1.00 0.00 N ATOM 822 CA LEU A 138 -6.747 0.721 -2.381 1.00 0.00 C ATOM 823 C LEU A 138 -6.759 -0.440 -3.361 1.00 0.00 C ATOM 824 O LEU A 138 -6.302 -1.526 -3.054 1.00 0.00 O ATOM 825 CB LEU A 138 -8.157 0.958 -1.867 1.00 0.00 C ATOM 826 CG LEU A 138 -8.291 2.014 -0.786 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.734 2.435 -0.651 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.776 1.469 0.532 1.00 0.00 C ATOM 0 H LEU A 138 -6.886 2.735 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.086 0.471 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.788 1.243 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.547 0.016 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.698 2.886 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.821 3.193 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.083 2.846 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.342 1.570 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.875 2.232 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.356 0.590 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.727 1.193 0.427 1.00 0.00 H new ATOM 840 N SER A 139 -7.218 -0.174 -4.560 1.00 0.00 N ATOM 841 CA SER A 139 -7.313 -1.194 -5.585 1.00 0.00 C ATOM 842 C SER A 139 -5.933 -1.495 -6.204 1.00 0.00 C ATOM 843 O SER A 139 -5.760 -2.485 -6.935 1.00 0.00 O ATOM 844 CB SER A 139 -8.298 -0.733 -6.660 1.00 0.00 C ATOM 845 OG SER A 139 -9.561 -0.395 -6.080 1.00 0.00 O ATOM 0 H SER A 139 -7.536 0.749 -4.855 1.00 0.00 H new ATOM 0 HA SER A 139 -7.674 -2.118 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.891 0.131 -7.186 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.432 -1.522 -7.400 1.00 0.00 H new ATOM 0 HG SER A 139 -10.176 -0.101 -6.784 1.00 0.00 H new ATOM 851 N ASP A 140 -4.947 -0.668 -5.872 1.00 0.00 N ATOM 852 CA ASP A 140 -3.604 -0.807 -6.437 1.00 0.00 C ATOM 853 C ASP A 140 -2.687 -1.466 -5.426 1.00 0.00 C ATOM 854 O ASP A 140 -1.554 -1.847 -5.741 1.00 0.00 O ATOM 855 CB ASP A 140 -3.028 0.556 -6.849 1.00 0.00 C ATOM 856 CG ASP A 140 -1.698 0.443 -7.575 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.672 -0.008 -8.726 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.658 0.804 -7.006 1.00 0.00 O ATOM 0 H ASP A 140 -5.050 0.106 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.675 -1.429 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.744 1.068 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.899 1.174 -5.960 1.00 0.00 H new ATOM 863 N LEU A 141 -3.180 -1.604 -4.210 1.00 0.00 N ATOM 864 CA LEU A 141 -2.428 -2.248 -3.164 1.00 0.00 C ATOM 865 C LEU A 141 -2.191 -3.685 -3.506 1.00 0.00 C ATOM 866 O LEU A 141 -2.883 -4.267 -4.343 1.00 0.00 O ATOM 867 CB LEU A 141 -3.105 -2.140 -1.805 1.00 0.00 C ATOM 868 CG LEU A 141 -3.223 -0.749 -1.204 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.832 -0.834 0.170 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.871 -0.079 -1.134 1.00 0.00 C ATOM 0 H LEU A 141 -4.103 -1.275 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.474 -1.726 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.108 -2.558 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.557 -2.768 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.869 -0.149 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.913 0.167 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.824 -1.281 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.200 -1.449 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.980 0.915 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.202 -0.674 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.455 0.006 -2.138 1.00 0.00 H new ATOM 882 N LEU A 142 -1.223 -4.234 -2.899 1.00 0.00 N ATOM 883 CA LEU A 142 -0.828 -5.569 -3.171 1.00 0.00 C ATOM 884 C LEU A 142 -0.795 -6.328 -1.868 1.00 0.00 C ATOM 885 O LEU A 142 -0.768 -5.709 -0.790 1.00 0.00 O ATOM 886 CB LEU A 142 0.551 -5.522 -3.823 1.00 0.00 C ATOM 887 CG LEU A 142 0.638 -4.720 -5.124 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.073 -4.449 -5.483 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.067 -5.445 -6.259 1.00 0.00 C ATOM 0 H LEU A 142 -0.665 -3.769 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.522 -6.072 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.257 -5.100 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.874 -6.544 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 142 0.134 -3.766 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.114 -3.878 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.546 -3.878 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.600 -5.394 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.010 -4.854 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.401 -6.417 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.118 -5.585 -6.004 1.00 0.00 H new ATOM 901 N SER A 143 -0.804 -7.628 -1.943 1.00 0.00 N ATOM 902 CA SER A 143 -0.784 -8.457 -0.763 1.00 0.00 C ATOM 903 C SER A 143 0.603 -8.380 -0.125 1.00 0.00 C ATOM 904 O SER A 143 1.615 -8.404 -0.845 1.00 0.00 O ATOM 905 CB SER A 143 -1.163 -9.887 -1.135 1.00 0.00 C ATOM 906 OG SER A 143 -2.457 -9.905 -1.740 1.00 0.00 O ATOM 0 H SER A 143 -0.825 -8.147 -2.821 1.00 0.00 H new ATOM 0 HA SER A 143 -1.513 -8.104 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.425 -10.301 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.159 -10.517 -0.245 1.00 0.00 H new ATOM 0 HG SER A 143 -2.694 -10.826 -1.978 1.00 0.00 H new ATOM 912 N PRO A 144 0.678 -8.270 1.221 1.00 0.00 N ATOM 913 CA PRO A 144 1.938 -8.037 1.921 1.00 0.00 C ATOM 914 C PRO A 144 2.956 -9.118 1.694 1.00 0.00 C ATOM 915 O PRO A 144 2.634 -10.311 1.663 1.00 0.00 O ATOM 916 CB PRO A 144 1.570 -7.965 3.389 1.00 0.00 C ATOM 917 CG PRO A 144 0.242 -8.633 3.487 1.00 0.00 C ATOM 918 CD PRO A 144 -0.446 -8.414 2.163 1.00 0.00 C ATOM 0 HA PRO A 144 2.407 -7.126 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.312 -8.470 4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.518 -6.932 3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.357 -9.697 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.345 -8.212 4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.088 -9.254 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.075 -7.524 2.178 1.00 0.00 H new ATOM 926 N ILE A 145 4.169 -8.693 1.535 1.00 0.00 N ATOM 927 CA ILE A 145 5.267 -9.586 1.301 1.00 0.00 C ATOM 928 C ILE A 145 5.629 -10.209 2.646 1.00 0.00 C ATOM 929 O ILE A 145 5.540 -9.548 3.681 1.00 0.00 O ATOM 930 CB ILE A 145 6.504 -8.840 0.707 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.076 -7.916 -0.441 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.516 -9.847 0.177 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.210 -7.122 -1.067 1.00 0.00 C ATOM 0 H ILE A 145 4.431 -7.708 1.564 1.00 0.00 H new ATOM 0 HA ILE A 145 4.978 -10.344 0.573 1.00 0.00 H new ATOM 0 HB ILE A 145 6.955 -8.245 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.599 -8.517 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.324 -7.220 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.375 -9.317 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.845 -10.495 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.054 -10.451 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.817 -6.497 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.674 -6.491 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.954 -7.808 -1.473 1.00 0.00 H new ATOM 945 N CYS A 146 5.991 -11.447 2.642 1.00 0.00 N ATOM 946 CA CYS A 146 6.276 -12.169 3.863 1.00 0.00 C ATOM 947 C CYS A 146 7.721 -12.654 3.830 1.00 0.00 C ATOM 948 O CYS A 146 8.147 -13.487 4.625 1.00 0.00 O ATOM 949 CB CYS A 146 5.290 -13.343 3.981 1.00 0.00 C ATOM 950 SG CYS A 146 5.352 -14.258 5.540 1.00 0.00 S ATOM 0 H CYS A 146 6.102 -12.001 1.793 1.00 0.00 H new ATOM 0 HA CYS A 146 6.155 -11.525 4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 146 4.279 -12.960 3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 146 5.481 -14.039 3.164 1.00 0.00 H new ATOM 0 HG CYS A 146 6.583 -14.328 5.953 1.00 0.00 H new ATOM 956 N GLU A 147 8.470 -12.073 2.952 1.00 0.00 N ATOM 957 CA GLU A 147 9.823 -12.465 2.706 1.00 0.00 C ATOM 958 C GLU A 147 10.743 -11.583 3.521 1.00 0.00 C ATOM 959 O GLU A 147 11.307 -12.062 4.510 1.00 0.00 O ATOM 960 CB GLU A 147 10.135 -12.366 1.208 1.00 0.00 C ATOM 961 CG GLU A 147 9.190 -13.186 0.315 1.00 0.00 C ATOM 962 CD GLU A 147 9.305 -14.687 0.507 1.00 0.00 C ATOM 963 OE1 GLU A 147 8.827 -15.227 1.527 1.00 0.00 O ATOM 964 OE2 GLU A 147 9.884 -15.361 -0.354 1.00 0.00 O ATOM 965 OXT GLU A 147 10.834 -10.381 3.229 1.00 0.00 O ATOM 0 H GLU A 147 8.154 -11.296 2.372 1.00 0.00 H new ATOM 0 HA GLU A 147 9.974 -13.502 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.086 -11.320 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.159 -12.700 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 147 8.163 -12.882 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 147 9.395 -12.947 -0.729 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 17.128 3.386 -2.798 1.00 0.00 N HETATM 974 CA 2MR A1148 16.901 3.465 -1.370 1.00 0.00 C HETATM 975 CB 2MR A1148 16.348 2.152 -0.839 1.00 0.00 C HETATM 976 CG 2MR A1148 16.039 2.165 0.645 1.00 0.00 C HETATM 977 CD 2MR A1148 14.701 2.808 0.905 1.00 0.00 C HETATM 978 NE 2MR A1148 13.624 1.985 0.344 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.338 2.168 0.552 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.965 3.209 1.357 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.647 3.682 1.788 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.485 1.291 -0.023 1.00 0.00 N HETATM 983 CQ2 2MR A1148 10.030 1.210 0.004 1.00 0.00 C HETATM 984 C 2MR A1148 18.216 3.737 -0.715 1.00 0.00 C HETATM 985 O 2MR A1148 18.359 4.764 -0.044 1.00 0.00 O HETATM 986 OXT 2MR A1148 19.127 2.934 -0.895 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.691 1.092 1.033 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.607 2.123 -0.415 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.702 0.354 -0.586 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 10.056 3.958 0.915 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.137 2.889 2.335 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.766 4.551 2.435 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.938 0.559 -0.571 1.00 0.00 H new HETATM 0 HG3 2MR A1148 16.039 1.145 1.030 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.819 2.708 1.179 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.895 1.207 -0.257 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.552 2.933 1.978 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.676 3.804 0.462 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.438 1.906 -1.386 1.00 0.00 H new HETATM 0 HB2 2MR A1148 17.067 1.359 -1.042 1.00 0.00 H new HETATM 0 HA 2MR A1148 16.180 4.254 -1.157 1.00 0.00 H new HETATM 0 H2 2MR A1148 17.499 4.192 -3.301 1.00 0.00 H new HETATM 0 H 2MR A1148 16.917 2.524 -3.301 1.00 0.00 H new