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 -158:sc= 0.931 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.0275 K(o=0.9,f=-2.9!) USER MOD Set 2.1: A 112 THR OG1 : rot 85:sc= 0.502 USER MOD Set 2.2: A 128 THR OG1 : rot 171:sc= 0.497 USER MOD Single : A 84 ASN : amide:sc= 0.564 K(o=0.56,f=-8.2!) USER MOD Single : A 85 THR OG1 : rot -26:sc= 0.245 USER MOD Single : A 88 SER OG : rot -158:sc= 0.393 USER MOD Single : A 90 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.55) USER MOD Single : A 91 GLN : amide:sc=-0.00556 X(o=-0.0056,f=-0.0056) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.988) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.843 USER MOD Single : A 99 SER OG : rot 119:sc= -0.181 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 107 CYS SG : rot 110:sc= 1.11 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.129 USER MOD Single : A 119 LYS NZ :NH3+ -153:sc= -0.944! (180deg=-2.78!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 123 CYS SG : rot -16:sc= -4.21! USER MOD Single : A 130 TYR OH : rot -125:sc= 0.0972 USER MOD Single : A 132 ASN : amide:sc= -2.65! K(o=-2.7!,f=-2.1) USER MOD Single : A 137 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.19) USER MOD Single : A 139 SER OG : rot -29:sc= 0.0676 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -14.626 -13.455 0.669 1.00 0.00 N ATOM 2 CA ASN A 84 -14.428 -12.748 -0.596 1.00 0.00 C ATOM 3 C ASN A 84 -12.964 -12.835 -0.943 1.00 0.00 C ATOM 4 O ASN A 84 -12.116 -12.405 -0.165 1.00 0.00 O ATOM 5 CB ASN A 84 -14.863 -11.270 -0.473 1.00 0.00 C ATOM 6 CG ASN A 84 -14.828 -10.487 -1.798 1.00 0.00 C ATOM 7 OD1 ASN A 84 -14.020 -10.746 -2.698 1.00 0.00 O ATOM 8 ND2 ASN A 84 -15.705 -9.523 -1.919 1.00 0.00 N ATOM 0 HA ASN A 84 -15.036 -13.203 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.875 -11.234 -0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.215 -10.771 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.734 -8.964 -2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.360 -9.331 -1.161 1.00 0.00 H new ATOM 17 N THR A 85 -12.652 -13.416 -2.065 1.00 0.00 N ATOM 18 CA THR A 85 -11.280 -13.554 -2.474 1.00 0.00 C ATOM 19 C THR A 85 -11.066 -13.040 -3.903 1.00 0.00 C ATOM 20 O THR A 85 -9.938 -12.953 -4.394 1.00 0.00 O ATOM 21 CB THR A 85 -10.798 -15.029 -2.316 1.00 0.00 C ATOM 22 OG1 THR A 85 -9.405 -15.163 -2.630 1.00 0.00 O ATOM 23 CG2 THR A 85 -11.601 -15.941 -3.212 1.00 0.00 C ATOM 0 H THR A 85 -13.332 -13.805 -2.718 1.00 0.00 H new ATOM 0 HA THR A 85 -10.671 -12.934 -1.816 1.00 0.00 H new ATOM 0 HB THR A 85 -10.947 -15.312 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.139 -14.451 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.254 -16.967 -3.092 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.655 -15.880 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 85 -11.474 -15.635 -4.250 1.00 0.00 H new ATOM 31 N ALA A 86 -12.131 -12.639 -4.531 1.00 0.00 N ATOM 32 CA ALA A 86 -12.063 -12.225 -5.920 1.00 0.00 C ATOM 33 C ALA A 86 -12.075 -10.716 -6.071 1.00 0.00 C ATOM 34 O ALA A 86 -11.537 -10.180 -7.038 1.00 0.00 O ATOM 35 CB ALA A 86 -13.193 -12.851 -6.721 1.00 0.00 C ATOM 0 H ALA A 86 -13.060 -12.586 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.111 -12.580 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.125 -12.528 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.115 -13.937 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -14.151 -12.537 -6.306 1.00 0.00 H new ATOM 41 N ALA A 87 -12.673 -10.030 -5.126 1.00 0.00 N ATOM 42 CA ALA A 87 -12.795 -8.583 -5.213 1.00 0.00 C ATOM 43 C ALA A 87 -12.382 -7.919 -3.913 1.00 0.00 C ATOM 44 O ALA A 87 -12.683 -6.753 -3.655 1.00 0.00 O ATOM 45 CB ALA A 87 -14.221 -8.223 -5.545 1.00 0.00 C ATOM 0 H ALA A 87 -13.083 -10.443 -4.288 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.130 -8.224 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.317 -7.139 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.496 -8.671 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.882 -8.599 -4.764 1.00 0.00 H new ATOM 51 N SER A 88 -11.657 -8.631 -3.126 1.00 0.00 N ATOM 52 CA SER A 88 -11.253 -8.156 -1.831 1.00 0.00 C ATOM 53 C SER A 88 -9.915 -7.421 -1.851 1.00 0.00 C ATOM 54 O SER A 88 -9.349 -7.093 -0.803 1.00 0.00 O ATOM 55 CB SER A 88 -11.247 -9.317 -0.873 1.00 0.00 C ATOM 56 OG SER A 88 -10.669 -10.462 -1.494 1.00 0.00 O ATOM 0 H SER A 88 -11.320 -9.566 -3.354 1.00 0.00 H new ATOM 0 HA SER A 88 -11.974 -7.410 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.683 -9.056 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.265 -9.541 -0.555 1.00 0.00 H new ATOM 0 HG SER A 88 -10.970 -11.272 -1.032 1.00 0.00 H new ATOM 62 N LEU A 89 -9.454 -7.099 -3.031 1.00 0.00 N ATOM 63 CA LEU A 89 -8.173 -6.435 -3.181 1.00 0.00 C ATOM 64 C LEU A 89 -8.377 -4.946 -3.414 1.00 0.00 C ATOM 65 O LEU A 89 -7.441 -4.173 -3.521 1.00 0.00 O ATOM 66 CB LEU A 89 -7.368 -7.081 -4.302 1.00 0.00 C ATOM 67 CG LEU A 89 -5.916 -7.439 -3.963 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.300 -8.200 -5.092 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.096 -6.206 -3.678 1.00 0.00 C ATOM 0 H LEU A 89 -9.943 -7.283 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.600 -6.549 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.882 -7.990 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.365 -6.405 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.926 -8.057 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.269 -8.450 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.864 -9.117 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.317 -7.589 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.072 -6.496 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.096 -5.558 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.526 -5.671 -2.831 1.00 0.00 H new ATOM 81 N GLN A 90 -9.612 -4.562 -3.457 1.00 0.00 N ATOM 82 CA GLN A 90 -9.978 -3.162 -3.637 1.00 0.00 C ATOM 83 C GLN A 90 -10.489 -2.598 -2.325 1.00 0.00 C ATOM 84 O GLN A 90 -10.907 -1.440 -2.242 1.00 0.00 O ATOM 85 CB GLN A 90 -11.045 -3.008 -4.725 1.00 0.00 C ATOM 86 CG GLN A 90 -12.368 -3.701 -4.415 1.00 0.00 C ATOM 87 CD GLN A 90 -13.396 -3.540 -5.518 1.00 0.00 C ATOM 88 OE1 GLN A 90 -13.411 -2.544 -6.238 1.00 0.00 O ATOM 89 NE2 GLN A 90 -14.275 -4.486 -5.638 1.00 0.00 N ATOM 0 H GLN A 90 -10.407 -5.195 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.092 -2.610 -3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.234 -1.946 -4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.652 -3.405 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.185 -4.763 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.774 -3.298 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.235 -5.300 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.006 -4.416 -6.346 1.00 0.00 H new ATOM 98 N GLN A 91 -10.438 -3.417 -1.312 1.00 0.00 N ATOM 99 CA GLN A 91 -10.946 -3.069 -0.018 1.00 0.00 C ATOM 100 C GLN A 91 -9.928 -3.421 1.061 1.00 0.00 C ATOM 101 O GLN A 91 -9.493 -4.572 1.188 1.00 0.00 O ATOM 102 CB GLN A 91 -12.299 -3.747 0.220 1.00 0.00 C ATOM 103 CG GLN A 91 -12.275 -5.255 0.075 1.00 0.00 C ATOM 104 CD GLN A 91 -13.631 -5.873 0.234 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.043 -6.204 1.341 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.323 -6.071 -0.855 1.00 0.00 N ATOM 0 H GLN A 91 -10.038 -4.354 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.109 -1.992 0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.647 -3.496 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.026 -3.338 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.874 -5.515 -0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.599 -5.677 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.947 -5.782 -1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.240 -6.515 -0.803 1.00 0.00 H new ATOM 115 N TRP A 92 -9.520 -2.422 1.787 1.00 0.00 N ATOM 116 CA TRP A 92 -8.520 -2.537 2.827 1.00 0.00 C ATOM 117 C TRP A 92 -8.953 -1.700 4.006 1.00 0.00 C ATOM 118 O TRP A 92 -9.860 -0.874 3.867 1.00 0.00 O ATOM 119 CB TRP A 92 -7.159 -2.034 2.342 1.00 0.00 C ATOM 120 CG TRP A 92 -6.570 -2.785 1.191 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.858 -2.611 -0.127 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.564 -3.800 1.254 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.117 -3.466 -0.884 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.305 -4.205 -0.063 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.856 -4.410 2.296 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.374 -5.186 -0.368 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.930 -5.384 1.985 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.697 -5.758 0.665 1.00 0.00 C ATOM 0 H TRP A 92 -9.879 -1.474 1.675 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.424 -3.587 3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.258 -0.986 2.058 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.458 -2.073 3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.570 -1.899 -0.516 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.159 -3.544 -1.900 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.031 -4.124 3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.192 -5.486 -1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.377 -5.864 2.779 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.961 -6.520 0.455 1.00 0.00 H new ATOM 139 N LYS A 93 -8.355 -1.913 5.160 1.00 0.00 N ATOM 140 CA LYS A 93 -8.689 -1.112 6.326 1.00 0.00 C ATOM 141 C LYS A 93 -7.425 -0.594 6.989 1.00 0.00 C ATOM 142 O LYS A 93 -6.347 -1.181 6.827 1.00 0.00 O ATOM 143 CB LYS A 93 -9.534 -1.907 7.310 1.00 0.00 C ATOM 144 CG LYS A 93 -8.809 -3.040 7.988 1.00 0.00 C ATOM 145 CD LYS A 93 -9.825 -3.959 8.658 1.00 0.00 C ATOM 146 CE LYS A 93 -9.217 -5.248 9.178 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.130 -5.036 10.143 1.00 0.00 N ATOM 0 H LYS A 93 -7.642 -2.625 5.318 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.280 -0.257 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.914 -1.228 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.399 -2.310 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.221 -3.598 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.111 -2.649 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.295 -3.427 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.613 -4.199 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.998 -5.845 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.837 -5.827 8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.886 -5.940 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.296 -4.660 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.437 -4.357 10.869 1.00 0.00 H new ATOM 161 N VAL A 94 -7.556 0.500 7.705 1.00 0.00 N ATOM 162 CA VAL A 94 -6.437 1.124 8.384 1.00 0.00 C ATOM 163 C VAL A 94 -5.880 0.191 9.448 1.00 0.00 C ATOM 164 O VAL A 94 -6.624 -0.298 10.309 1.00 0.00 O ATOM 165 CB VAL A 94 -6.855 2.473 9.043 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.707 3.085 9.829 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.356 3.453 7.998 1.00 0.00 C ATOM 0 H VAL A 94 -8.444 0.986 7.835 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.669 1.327 7.638 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.667 2.259 9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.032 4.025 10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.397 2.397 10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.867 3.273 9.160 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.642 4.387 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.566 3.647 7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.221 3.030 7.487 1.00 0.00 H new ATOM 177 N GLY A 95 -4.592 -0.041 9.384 1.00 0.00 N ATOM 178 CA GLY A 95 -3.937 -0.873 10.353 1.00 0.00 C ATOM 179 C GLY A 95 -3.519 -2.195 9.780 1.00 0.00 C ATOM 180 O GLY A 95 -2.913 -3.016 10.463 1.00 0.00 O ATOM 0 H GLY A 95 -3.976 0.339 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.060 -0.354 10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.607 -1.041 11.196 1.00 0.00 H new ATOM 184 N ASP A 96 -3.816 -2.402 8.525 1.00 0.00 N ATOM 185 CA ASP A 96 -3.484 -3.653 7.879 1.00 0.00 C ATOM 186 C ASP A 96 -2.259 -3.498 7.064 1.00 0.00 C ATOM 187 O ASP A 96 -1.975 -2.414 6.562 1.00 0.00 O ATOM 188 CB ASP A 96 -4.625 -4.176 7.008 1.00 0.00 C ATOM 189 CG ASP A 96 -5.730 -4.834 7.788 1.00 0.00 C ATOM 190 OD1 ASP A 96 -5.739 -4.766 9.034 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.609 -5.451 7.166 1.00 0.00 O ATOM 0 H ASP A 96 -4.287 -1.724 7.926 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.311 -4.386 8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.041 -3.348 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.224 -4.891 6.290 1.00 0.00 H new ATOM 196 N LYS A 97 -1.503 -4.542 6.965 1.00 0.00 N ATOM 197 CA LYS A 97 -0.319 -4.522 6.183 1.00 0.00 C ATOM 198 C LYS A 97 -0.627 -4.892 4.762 1.00 0.00 C ATOM 199 O LYS A 97 -1.614 -5.593 4.485 1.00 0.00 O ATOM 200 CB LYS A 97 0.644 -5.482 6.768 1.00 0.00 C ATOM 201 CG LYS A 97 0.912 -5.191 8.224 1.00 0.00 C ATOM 202 CD LYS A 97 1.663 -6.300 8.851 1.00 0.00 C ATOM 203 CE LYS A 97 3.061 -6.403 8.279 1.00 0.00 C ATOM 204 NZ LYS A 97 3.843 -7.505 8.873 1.00 0.00 N ATOM 0 H LYS A 97 -1.692 -5.432 7.426 1.00 0.00 H new ATOM 0 HA LYS A 97 0.110 -3.520 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.255 -6.495 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.580 -5.442 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.478 -4.264 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.031 -5.042 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.718 -6.143 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.132 -7.238 8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.997 -6.549 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.586 -5.462 8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.790 -7.528 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.930 -7.355 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.360 -8.409 8.695 1.00 0.00 H new ATOM 218 N CYS A 98 0.204 -4.446 3.882 1.00 0.00 N ATOM 219 CA CYS A 98 0.049 -4.673 2.492 1.00 0.00 C ATOM 220 C CYS A 98 1.407 -4.527 1.818 1.00 0.00 C ATOM 221 O CYS A 98 2.450 -4.474 2.484 1.00 0.00 O ATOM 222 CB CYS A 98 -0.947 -3.644 1.928 1.00 0.00 C ATOM 223 SG CYS A 98 -0.454 -1.942 2.222 1.00 0.00 S ATOM 0 H CYS A 98 1.031 -3.899 4.120 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.335 -5.676 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.055 -3.803 0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.926 -3.814 2.375 1.00 0.00 H new ATOM 0 HG CYS A 98 0.531 -1.916 3.070 1.00 0.00 H new ATOM 229 N SER A 99 1.388 -4.499 0.550 1.00 0.00 N ATOM 230 CA SER A 99 2.545 -4.249 -0.246 1.00 0.00 C ATOM 231 C SER A 99 2.217 -3.131 -1.196 1.00 0.00 C ATOM 232 O SER A 99 1.085 -3.045 -1.690 1.00 0.00 O ATOM 233 CB SER A 99 2.965 -5.512 -0.987 1.00 0.00 C ATOM 234 OG SER A 99 3.368 -6.525 -0.082 1.00 0.00 O ATOM 0 H SER A 99 0.541 -4.654 0.003 1.00 0.00 H new ATOM 0 HA SER A 99 3.388 -3.957 0.381 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.136 -5.873 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.784 -5.282 -1.668 1.00 0.00 H new ATOM 0 HG SER A 99 2.784 -7.305 -0.183 1.00 0.00 H new ATOM 240 N ALA A 100 3.146 -2.259 -1.409 1.00 0.00 N ATOM 241 CA ALA A 100 2.919 -1.132 -2.255 1.00 0.00 C ATOM 242 C ALA A 100 4.068 -0.958 -3.204 1.00 0.00 C ATOM 243 O ALA A 100 5.161 -1.500 -2.981 1.00 0.00 O ATOM 244 CB ALA A 100 2.709 0.119 -1.423 1.00 0.00 C ATOM 0 H ALA A 100 4.081 -2.306 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 100 2.015 -1.306 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.537 0.970 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.844 -0.017 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.594 0.304 -0.815 1.00 0.00 H new ATOM 250 N ILE A 101 3.815 -0.250 -4.259 1.00 0.00 N ATOM 251 CA ILE A 101 4.801 0.037 -5.253 1.00 0.00 C ATOM 252 C ILE A 101 5.429 1.361 -4.944 1.00 0.00 C ATOM 253 O ILE A 101 4.774 2.412 -5.055 1.00 0.00 O ATOM 254 CB ILE A 101 4.174 0.060 -6.669 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.765 -1.347 -7.094 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.103 0.701 -7.711 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.912 -2.246 -7.480 1.00 0.00 C ATOM 0 H ILE A 101 2.899 0.153 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 101 5.559 -0.746 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 101 3.282 0.685 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.215 -1.813 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.080 -1.272 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.617 0.692 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.319 1.730 -7.422 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.034 0.136 -7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.527 -3.224 -7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.451 -1.808 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.588 -2.357 -6.633 1.00 0.00 H new ATOM 269 N TRP A 102 6.670 1.317 -4.550 1.00 0.00 N ATOM 270 CA TRP A 102 7.388 2.511 -4.223 1.00 0.00 C ATOM 271 C TRP A 102 7.564 3.279 -5.468 1.00 0.00 C ATOM 272 O TRP A 102 8.187 2.808 -6.397 1.00 0.00 O ATOM 273 CB TRP A 102 8.744 2.202 -3.635 1.00 0.00 C ATOM 274 CG TRP A 102 9.353 3.355 -2.897 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.690 4.354 -2.239 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.739 3.605 -2.704 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.589 5.205 -1.649 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.854 4.762 -1.917 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.895 2.966 -3.120 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.084 5.277 -1.538 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.107 3.483 -2.747 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.188 4.630 -1.961 1.00 0.00 C ATOM 0 H TRP A 102 7.208 0.457 -4.448 1.00 0.00 H new ATOM 0 HA TRP A 102 6.826 3.075 -3.478 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.652 1.354 -2.956 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.418 1.897 -4.436 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.616 4.457 -2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.353 6.032 -1.101 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.842 2.075 -3.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.155 6.164 -0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.015 2.993 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.160 5.010 -1.684 1.00 0.00 H new ATOM 293 N SER A 103 7.051 4.451 -5.469 1.00 0.00 N ATOM 294 CA SER A 103 7.044 5.308 -6.611 1.00 0.00 C ATOM 295 C SER A 103 8.447 5.696 -7.063 1.00 0.00 C ATOM 296 O SER A 103 8.667 6.134 -8.192 1.00 0.00 O ATOM 297 CB SER A 103 6.277 6.510 -6.223 1.00 0.00 C ATOM 298 OG SER A 103 4.934 6.168 -5.911 1.00 0.00 O ATOM 0 H SER A 103 6.606 4.863 -4.649 1.00 0.00 H new ATOM 0 HA SER A 103 6.594 4.790 -7.458 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.746 6.985 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.293 7.236 -7.036 1.00 0.00 H new ATOM 0 HG SER A 103 4.442 6.976 -5.655 1.00 0.00 H new ATOM 304 N GLU A 104 9.372 5.518 -6.189 1.00 0.00 N ATOM 305 CA GLU A 104 10.725 5.886 -6.423 1.00 0.00 C ATOM 306 C GLU A 104 11.488 4.812 -7.177 1.00 0.00 C ATOM 307 O GLU A 104 12.268 5.124 -8.082 1.00 0.00 O ATOM 308 CB GLU A 104 11.337 6.153 -5.100 1.00 0.00 C ATOM 309 CG GLU A 104 10.572 7.215 -4.350 1.00 0.00 C ATOM 310 CD GLU A 104 10.986 8.615 -4.700 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.528 9.142 -5.730 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.782 9.216 -3.954 1.00 0.00 O ATOM 0 H GLU A 104 9.207 5.104 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 104 10.766 6.773 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.358 5.234 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.371 6.471 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.508 7.098 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.709 7.062 -3.280 1.00 0.00 H new ATOM 319 N ASP A 105 11.265 3.552 -6.837 1.00 0.00 N ATOM 320 CA ASP A 105 12.023 2.493 -7.503 1.00 0.00 C ATOM 321 C ASP A 105 11.117 1.682 -8.416 1.00 0.00 C ATOM 322 O ASP A 105 11.574 0.989 -9.317 1.00 0.00 O ATOM 323 CB ASP A 105 12.650 1.577 -6.452 1.00 0.00 C ATOM 324 CG ASP A 105 13.707 0.649 -7.014 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.383 -0.419 -7.521 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.898 0.980 -6.918 1.00 0.00 O ATOM 0 H ASP A 105 10.595 3.241 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 105 12.807 2.948 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.095 2.189 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.865 0.981 -5.986 1.00 0.00 H new ATOM 331 N GLY A 106 9.824 1.817 -8.211 1.00 0.00 N ATOM 332 CA GLY A 106 8.835 1.127 -9.031 1.00 0.00 C ATOM 333 C GLY A 106 8.571 -0.279 -8.549 1.00 0.00 C ATOM 334 O GLY A 106 7.701 -0.973 -9.072 1.00 0.00 O ATOM 0 H GLY A 106 9.425 2.403 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.903 1.692 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.181 1.095 -10.064 1.00 0.00 H new ATOM 338 N CYS A 107 9.315 -0.682 -7.563 1.00 0.00 N ATOM 339 CA CYS A 107 9.275 -1.993 -7.040 1.00 0.00 C ATOM 340 C CYS A 107 8.285 -2.172 -5.901 1.00 0.00 C ATOM 341 O CYS A 107 7.801 -1.194 -5.315 1.00 0.00 O ATOM 342 CB CYS A 107 10.659 -2.369 -6.636 1.00 0.00 C ATOM 343 SG CYS A 107 11.751 -2.694 -8.018 1.00 0.00 S ATOM 0 H CYS A 107 9.987 -0.077 -7.092 1.00 0.00 H new ATOM 0 HA CYS A 107 8.909 -2.662 -7.819 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.082 -1.567 -6.031 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.615 -3.255 -6.003 1.00 0.00 H new ATOM 0 HG CYS A 107 12.628 -1.739 -8.112 1.00 0.00 H new ATOM 349 N ILE A 108 8.003 -3.426 -5.595 1.00 0.00 N ATOM 350 CA ILE A 108 7.088 -3.801 -4.535 1.00 0.00 C ATOM 351 C ILE A 108 7.825 -3.891 -3.209 1.00 0.00 C ATOM 352 O ILE A 108 8.868 -4.545 -3.112 1.00 0.00 O ATOM 353 CB ILE A 108 6.466 -5.178 -4.797 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.981 -5.278 -6.239 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.321 -5.394 -3.823 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.381 -6.623 -6.610 1.00 0.00 C ATOM 0 H ILE A 108 8.410 -4.223 -6.084 1.00 0.00 H new ATOM 0 HA ILE A 108 6.311 -3.037 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 108 7.216 -5.955 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.236 -4.502 -6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.818 -5.072 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.871 -6.371 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.699 -5.349 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.570 -4.617 -3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.063 -6.604 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.128 -7.405 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.521 -6.826 -5.972 1.00 0.00 H new ATOM 368 N TYR A 109 7.280 -3.262 -2.211 1.00 0.00 N ATOM 369 CA TYR A 109 7.851 -3.245 -0.883 1.00 0.00 C ATOM 370 C TYR A 109 6.743 -3.379 0.160 1.00 0.00 C ATOM 371 O TYR A 109 5.590 -3.009 -0.115 1.00 0.00 O ATOM 372 CB TYR A 109 8.605 -1.953 -0.645 1.00 0.00 C ATOM 373 CG TYR A 109 9.842 -1.734 -1.495 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.753 -1.136 -2.741 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.101 -2.063 -1.015 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.883 -0.877 -3.491 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.239 -1.794 -1.752 1.00 0.00 C ATOM 378 CZ TYR A 109 12.125 -1.202 -2.990 1.00 0.00 C ATOM 379 OH TYR A 109 13.264 -0.919 -3.724 1.00 0.00 O ATOM 0 H TYR A 109 6.411 -2.735 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 109 8.543 -4.083 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.921 -1.121 -0.814 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.899 -1.916 0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.783 -0.868 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.194 -2.537 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.794 -0.422 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.213 -2.047 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 109 14.055 -1.212 -3.226 1.00 0.00 H new ATOM 389 N PRO A 110 7.056 -3.932 1.352 1.00 0.00 N ATOM 390 CA PRO A 110 6.072 -4.094 2.429 1.00 0.00 C ATOM 391 C PRO A 110 5.684 -2.742 3.048 1.00 0.00 C ATOM 392 O PRO A 110 6.549 -1.938 3.430 1.00 0.00 O ATOM 393 CB PRO A 110 6.811 -4.954 3.464 1.00 0.00 C ATOM 394 CG PRO A 110 8.254 -4.670 3.230 1.00 0.00 C ATOM 395 CD PRO A 110 8.398 -4.420 1.755 1.00 0.00 C ATOM 0 HA PRO A 110 5.142 -4.539 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.516 -4.692 4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.589 -6.013 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.578 -3.803 3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.872 -5.511 3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.172 -3.682 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.672 -5.329 1.219 1.00 0.00 H new ATOM 403 N ALA A 111 4.410 -2.491 3.156 1.00 0.00 N ATOM 404 CA ALA A 111 3.935 -1.253 3.706 1.00 0.00 C ATOM 405 C ALA A 111 2.693 -1.491 4.519 1.00 0.00 C ATOM 406 O ALA A 111 1.936 -2.400 4.240 1.00 0.00 O ATOM 407 CB ALA A 111 3.660 -0.256 2.605 1.00 0.00 C ATOM 0 H ALA A 111 3.674 -3.136 2.867 1.00 0.00 H new ATOM 0 HA ALA A 111 4.707 -0.842 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.301 0.677 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.578 -0.067 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.903 -0.657 1.931 1.00 0.00 H new ATOM 413 N THR A 112 2.474 -0.689 5.498 1.00 0.00 N ATOM 414 CA THR A 112 1.327 -0.860 6.337 1.00 0.00 C ATOM 415 C THR A 112 0.409 0.355 6.211 1.00 0.00 C ATOM 416 O THR A 112 0.882 1.488 6.189 1.00 0.00 O ATOM 417 CB THR A 112 1.745 -1.089 7.803 1.00 0.00 C ATOM 418 OG1 THR A 112 2.745 -2.134 7.848 1.00 0.00 O ATOM 419 CG2 THR A 112 0.553 -1.556 8.616 1.00 0.00 C ATOM 0 H THR A 112 3.073 0.099 5.745 1.00 0.00 H new ATOM 0 HA THR A 112 0.782 -1.746 6.011 1.00 0.00 H new ATOM 0 HB THR A 112 2.133 -0.155 8.210 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.630 -1.747 7.684 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.858 -1.715 9.650 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.230 -0.799 8.581 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.174 -2.490 8.202 1.00 0.00 H new ATOM 427 N ILE A 113 -0.879 0.104 6.100 1.00 0.00 N ATOM 428 CA ILE A 113 -1.876 1.142 5.927 1.00 0.00 C ATOM 429 C ILE A 113 -1.967 2.016 7.166 1.00 0.00 C ATOM 430 O ILE A 113 -2.227 1.521 8.274 1.00 0.00 O ATOM 431 CB ILE A 113 -3.248 0.516 5.642 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.145 -0.402 4.428 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.282 1.609 5.388 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.313 -1.326 4.279 1.00 0.00 C ATOM 0 H ILE A 113 -1.269 -0.838 6.128 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.576 1.761 5.082 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.564 -0.066 6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.056 0.207 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.232 -0.992 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.251 1.153 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.358 2.250 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.977 2.206 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.173 -1.949 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.390 -1.960 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.227 -0.742 4.170 1.00 0.00 H new ATOM 446 N ALA A 114 -1.743 3.290 6.981 1.00 0.00 N ATOM 447 CA ALA A 114 -1.794 4.245 8.060 1.00 0.00 C ATOM 448 C ALA A 114 -3.108 5.015 8.035 1.00 0.00 C ATOM 449 O ALA A 114 -3.653 5.353 9.077 1.00 0.00 O ATOM 450 CB ALA A 114 -0.618 5.197 7.978 1.00 0.00 C ATOM 0 H ALA A 114 -1.519 3.698 6.074 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.735 3.702 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.671 5.912 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.312 4.633 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.648 5.732 7.029 1.00 0.00 H new ATOM 456 N SER A 115 -3.616 5.289 6.851 1.00 0.00 N ATOM 457 CA SER A 115 -4.872 5.997 6.717 1.00 0.00 C ATOM 458 C SER A 115 -5.470 5.698 5.353 1.00 0.00 C ATOM 459 O SER A 115 -4.733 5.387 4.428 1.00 0.00 O ATOM 460 CB SER A 115 -4.634 7.505 6.877 1.00 0.00 C ATOM 461 OG SER A 115 -3.698 7.985 5.909 1.00 0.00 O ATOM 0 H SER A 115 -3.178 5.032 5.967 1.00 0.00 H new ATOM 0 HA SER A 115 -5.566 5.670 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.578 8.039 6.770 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.263 7.713 7.880 1.00 0.00 H new ATOM 0 HG SER A 115 -3.566 8.948 6.032 1.00 0.00 H new ATOM 467 N ILE A 116 -6.782 5.757 5.238 1.00 0.00 N ATOM 468 CA ILE A 116 -7.465 5.524 3.985 1.00 0.00 C ATOM 469 C ILE A 116 -8.424 6.662 3.698 1.00 0.00 C ATOM 470 O ILE A 116 -9.220 7.052 4.562 1.00 0.00 O ATOM 471 CB ILE A 116 -8.285 4.207 4.008 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.388 3.014 4.304 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.032 4.006 2.682 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.124 1.719 4.384 1.00 0.00 C ATOM 0 H ILE A 116 -7.406 5.969 6.017 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.698 5.454 3.214 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.022 4.284 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.626 2.942 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.868 3.186 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.600 3.076 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.713 4.841 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.314 3.958 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.421 0.914 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.868 1.772 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.622 1.524 3.434 1.00 0.00 H new ATOM 486 N ASP A 117 -8.366 7.167 2.506 1.00 0.00 N ATOM 487 CA ASP A 117 -9.280 8.183 2.067 1.00 0.00 C ATOM 488 C ASP A 117 -10.223 7.516 1.127 1.00 0.00 C ATOM 489 O ASP A 117 -9.869 7.198 -0.009 1.00 0.00 O ATOM 490 CB ASP A 117 -8.578 9.326 1.352 1.00 0.00 C ATOM 491 CG ASP A 117 -9.510 10.494 1.081 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.492 10.357 0.317 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.276 11.587 1.638 1.00 0.00 O ATOM 0 H ASP A 117 -7.681 6.887 1.804 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.784 8.620 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.737 9.667 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.168 8.965 0.409 1.00 0.00 H new ATOM 498 N PHE A 118 -11.399 7.286 1.590 1.00 0.00 N ATOM 499 CA PHE A 118 -12.379 6.534 0.859 1.00 0.00 C ATOM 500 C PHE A 118 -12.950 7.302 -0.326 1.00 0.00 C ATOM 501 O PHE A 118 -13.493 6.698 -1.251 1.00 0.00 O ATOM 502 CB PHE A 118 -13.474 6.037 1.797 1.00 0.00 C ATOM 503 CG PHE A 118 -12.989 5.033 2.820 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.471 5.448 4.035 1.00 0.00 C ATOM 505 CD2 PHE A 118 -13.050 3.677 2.559 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.030 4.533 4.971 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.611 2.754 3.490 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.100 3.183 4.697 1.00 0.00 C ATOM 0 H PHE A 118 -11.721 7.616 2.500 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.873 5.668 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.910 6.890 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.269 5.584 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.411 6.504 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.446 3.334 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.631 4.874 5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.668 1.698 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.756 2.464 5.426 1.00 0.00 H new ATOM 518 N LYS A 119 -12.824 8.622 -0.309 1.00 0.00 N ATOM 519 CA LYS A 119 -13.305 9.421 -1.433 1.00 0.00 C ATOM 520 C LYS A 119 -12.361 9.288 -2.610 1.00 0.00 C ATOM 521 O LYS A 119 -12.786 9.157 -3.759 1.00 0.00 O ATOM 522 CB LYS A 119 -13.515 10.917 -1.108 1.00 0.00 C ATOM 523 CG LYS A 119 -14.577 11.233 -0.051 1.00 0.00 C ATOM 524 CD LYS A 119 -14.088 11.019 1.380 1.00 0.00 C ATOM 525 CE LYS A 119 -13.229 12.185 1.916 1.00 0.00 C ATOM 526 NZ LYS A 119 -12.007 12.476 1.121 1.00 0.00 N ATOM 0 H LYS A 119 -12.403 9.155 0.452 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.289 9.020 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.564 11.333 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.783 11.434 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.898 12.268 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.452 10.607 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.949 10.882 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.505 10.099 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.844 13.084 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.934 11.959 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.287 12.906 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.636 11.592 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.242 13.135 0.351 1.00 0.00 H new ATOM 540 N ARG A 120 -11.066 9.286 -2.324 1.00 0.00 N ATOM 541 CA ARG A 120 -10.085 9.208 -3.389 1.00 0.00 C ATOM 542 C ARG A 120 -9.747 7.768 -3.662 1.00 0.00 C ATOM 543 O ARG A 120 -9.057 7.457 -4.640 1.00 0.00 O ATOM 544 CB ARG A 120 -8.807 9.949 -2.992 1.00 0.00 C ATOM 545 CG ARG A 120 -9.003 11.413 -2.642 1.00 0.00 C ATOM 546 CD ARG A 120 -9.498 12.213 -3.825 1.00 0.00 C ATOM 547 NE ARG A 120 -9.721 13.609 -3.467 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.095 14.578 -4.305 1.00 0.00 C ATOM 549 NH1 ARG A 120 -10.231 14.332 -5.601 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.315 15.796 -3.834 1.00 0.00 N ATOM 0 H ARG A 120 -10.679 9.337 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.507 9.669 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.361 9.442 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.093 9.878 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.716 11.498 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.060 11.832 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.771 12.155 -4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.426 11.779 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.579 13.867 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.049 13.396 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.517 15.078 -6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.198 15.987 -2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.601 16.543 -4.466 1.00 0.00 H new ATOM 564 N GLU A 121 -10.263 6.889 -2.791 1.00 0.00 N ATOM 565 CA GLU A 121 -10.037 5.451 -2.843 1.00 0.00 C ATOM 566 C GLU A 121 -8.555 5.154 -2.712 1.00 0.00 C ATOM 567 O GLU A 121 -8.047 4.133 -3.204 1.00 0.00 O ATOM 568 CB GLU A 121 -10.602 4.872 -4.122 1.00 0.00 C ATOM 569 CG GLU A 121 -12.095 5.031 -4.250 1.00 0.00 C ATOM 570 CD GLU A 121 -12.566 4.625 -5.595 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.562 5.472 -6.502 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.923 3.438 -5.793 1.00 0.00 O ATOM 0 H GLU A 121 -10.862 7.172 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.555 4.979 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.120 5.354 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.353 3.812 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.594 4.429 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.370 6.069 -4.064 1.00 0.00 H new ATOM 579 N THR A 122 -7.875 6.019 -2.025 1.00 0.00 N ATOM 580 CA THR A 122 -6.478 5.881 -1.830 1.00 0.00 C ATOM 581 C THR A 122 -6.180 5.779 -0.354 1.00 0.00 C ATOM 582 O THR A 122 -7.031 6.066 0.474 1.00 0.00 O ATOM 583 CB THR A 122 -5.706 7.062 -2.440 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.201 8.299 -1.901 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.832 7.089 -3.950 1.00 0.00 C ATOM 0 H THR A 122 -8.283 6.843 -1.584 1.00 0.00 H new ATOM 0 HA THR A 122 -6.152 4.972 -2.335 1.00 0.00 H new ATOM 0 HB THR A 122 -4.653 6.937 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.704 9.048 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.274 7.937 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.431 6.164 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.882 7.185 -4.226 1.00 0.00 H new ATOM 593 N CYS A 123 -5.011 5.368 -0.031 1.00 0.00 N ATOM 594 CA CYS A 123 -4.606 5.234 1.321 1.00 0.00 C ATOM 595 C CYS A 123 -3.143 5.511 1.441 1.00 0.00 C ATOM 596 O CYS A 123 -2.385 5.299 0.490 1.00 0.00 O ATOM 597 CB CYS A 123 -4.912 3.829 1.799 1.00 0.00 C ATOM 598 SG CYS A 123 -4.260 2.544 0.717 1.00 0.00 S ATOM 0 H CYS A 123 -4.294 5.110 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.150 5.950 1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.498 3.696 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.992 3.709 1.882 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.943 3.064 -0.432 1.00 0.00 H new ATOM 604 N VAL A 124 -2.748 5.967 2.575 1.00 0.00 N ATOM 605 CA VAL A 124 -1.378 6.218 2.841 1.00 0.00 C ATOM 606 C VAL A 124 -0.828 5.012 3.545 1.00 0.00 C ATOM 607 O VAL A 124 -1.431 4.510 4.514 1.00 0.00 O ATOM 608 CB VAL A 124 -1.172 7.479 3.716 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.303 7.694 4.016 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.751 8.708 3.032 1.00 0.00 C ATOM 0 H VAL A 124 -3.373 6.179 3.352 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.859 6.403 1.900 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.698 7.323 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.423 8.585 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.696 6.829 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.849 7.822 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.596 9.583 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.254 8.859 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.819 8.564 2.868 1.00 0.00 H new ATOM 620 N VAL A 125 0.278 4.534 3.073 1.00 0.00 N ATOM 621 CA VAL A 125 0.889 3.387 3.644 1.00 0.00 C ATOM 622 C VAL A 125 2.296 3.744 4.058 1.00 0.00 C ATOM 623 O VAL A 125 2.951 4.590 3.436 1.00 0.00 O ATOM 624 CB VAL A 125 0.930 2.175 2.649 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.460 1.771 2.177 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.838 2.461 1.460 1.00 0.00 C ATOM 0 H VAL A 125 0.781 4.932 2.279 1.00 0.00 H new ATOM 0 HA VAL A 125 0.294 3.080 4.504 1.00 0.00 H new ATOM 0 HB VAL A 125 1.346 1.333 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.380 0.928 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.067 1.483 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.930 2.612 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.843 1.601 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.470 3.336 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.851 2.652 1.814 1.00 0.00 H new ATOM 636 N VAL A 126 2.728 3.140 5.105 1.00 0.00 N ATOM 637 CA VAL A 126 4.030 3.350 5.640 1.00 0.00 C ATOM 638 C VAL A 126 4.872 2.150 5.328 1.00 0.00 C ATOM 639 O VAL A 126 4.531 1.037 5.719 1.00 0.00 O ATOM 640 CB VAL A 126 3.982 3.578 7.171 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.387 3.646 7.750 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.203 4.850 7.495 1.00 0.00 C ATOM 0 H VAL A 126 2.172 2.466 5.631 1.00 0.00 H new ATOM 0 HA VAL A 126 4.459 4.244 5.188 1.00 0.00 H new ATOM 0 HB VAL A 126 3.468 2.733 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.329 3.807 8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.909 2.710 7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.931 4.470 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.178 4.996 8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.689 5.704 7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.184 4.759 7.118 1.00 0.00 H new ATOM 652 N TYR A 127 5.942 2.369 4.617 1.00 0.00 N ATOM 653 CA TYR A 127 6.832 1.314 4.238 1.00 0.00 C ATOM 654 C TYR A 127 7.550 0.796 5.444 1.00 0.00 C ATOM 655 O TYR A 127 8.364 1.506 6.075 1.00 0.00 O ATOM 656 CB TYR A 127 7.798 1.755 3.163 1.00 0.00 C ATOM 657 CG TYR A 127 7.128 2.075 1.854 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.698 1.055 1.009 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.917 3.384 1.461 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.083 1.337 -0.187 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.294 3.671 0.274 1.00 0.00 C ATOM 662 CZ TYR A 127 5.881 2.646 -0.548 1.00 0.00 C ATOM 663 OH TYR A 127 5.228 2.929 -1.722 1.00 0.00 O ATOM 0 H TYR A 127 6.221 3.292 4.283 1.00 0.00 H new ATOM 0 HA TYR A 127 6.241 0.503 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.340 2.635 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.536 0.969 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.850 0.026 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.248 4.191 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.762 0.536 -0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.128 4.698 -0.016 1.00 0.00 H new ATOM 0 HH TYR A 127 5.459 3.835 -2.015 1.00 0.00 H new ATOM 673 N THR A 128 7.234 -0.409 5.767 1.00 0.00 N ATOM 674 CA THR A 128 7.702 -1.057 6.928 1.00 0.00 C ATOM 675 C THR A 128 9.200 -1.321 6.834 1.00 0.00 C ATOM 676 O THR A 128 9.695 -1.836 5.829 1.00 0.00 O ATOM 677 CB THR A 128 6.910 -2.359 7.078 1.00 0.00 C ATOM 678 OG1 THR A 128 5.507 -2.027 7.201 1.00 0.00 O ATOM 679 CG2 THR A 128 7.368 -3.162 8.277 1.00 0.00 C ATOM 0 H THR A 128 6.615 -0.989 5.201 1.00 0.00 H new ATOM 0 HA THR A 128 7.553 -0.428 7.806 1.00 0.00 H new ATOM 0 HB THR A 128 7.079 -2.980 6.198 1.00 0.00 H new ATOM 0 HG1 THR A 128 4.971 -2.846 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.781 -4.078 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.422 -3.415 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.231 -2.573 9.184 1.00 0.00 H new ATOM 687 N GLY A 129 9.910 -0.930 7.870 1.00 0.00 N ATOM 688 CA GLY A 129 11.331 -1.116 7.917 1.00 0.00 C ATOM 689 C GLY A 129 12.065 0.094 7.401 1.00 0.00 C ATOM 690 O GLY A 129 13.263 0.266 7.667 1.00 0.00 O ATOM 0 H GLY A 129 9.515 -0.478 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.638 -1.319 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.604 -1.989 7.324 1.00 0.00 H new ATOM 694 N TYR A 130 11.358 0.946 6.680 1.00 0.00 N ATOM 695 CA TYR A 130 11.965 2.109 6.094 1.00 0.00 C ATOM 696 C TYR A 130 11.515 3.375 6.790 1.00 0.00 C ATOM 697 O TYR A 130 12.326 4.225 7.125 1.00 0.00 O ATOM 698 CB TYR A 130 11.645 2.183 4.621 1.00 0.00 C ATOM 699 CG TYR A 130 12.136 1.002 3.823 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.474 0.864 3.517 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.256 0.034 3.362 1.00 0.00 C ATOM 702 CE1 TYR A 130 13.927 -0.201 2.777 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.700 -1.037 2.621 1.00 0.00 C ATOM 704 CZ TYR A 130 13.038 -1.149 2.330 1.00 0.00 C ATOM 705 OH TYR A 130 13.498 -2.231 1.598 1.00 0.00 O ATOM 0 H TYR A 130 10.361 0.846 6.491 1.00 0.00 H new ATOM 0 HA TYR A 130 13.044 2.021 6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.565 2.266 4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.083 3.093 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.177 1.606 3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.204 0.122 3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 130 14.978 -0.293 2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.002 -1.783 2.271 1.00 0.00 H new ATOM 0 HH TYR A 130 13.011 -2.283 0.749 1.00 0.00 H new ATOM 715 N GLY A 131 10.226 3.506 7.001 1.00 0.00 N ATOM 716 CA GLY A 131 9.722 4.671 7.690 1.00 0.00 C ATOM 717 C GLY A 131 9.213 5.751 6.757 1.00 0.00 C ATOM 718 O GLY A 131 9.023 6.904 7.173 1.00 0.00 O ATOM 0 H GLY A 131 9.517 2.832 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.915 4.368 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.514 5.085 8.315 1.00 0.00 H new ATOM 722 N ASN A 132 9.006 5.417 5.502 1.00 0.00 N ATOM 723 CA ASN A 132 8.419 6.391 4.579 1.00 0.00 C ATOM 724 C ASN A 132 6.968 6.130 4.444 1.00 0.00 C ATOM 725 O ASN A 132 6.508 5.034 4.728 1.00 0.00 O ATOM 726 CB ASN A 132 9.025 6.408 3.169 1.00 0.00 C ATOM 727 CG ASN A 132 10.415 7.004 3.066 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.827 7.829 3.882 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.117 6.652 2.027 1.00 0.00 N ATOM 0 H ASN A 132 9.225 4.507 5.096 1.00 0.00 H new ATOM 0 HA ASN A 132 8.635 7.363 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.058 5.385 2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.359 6.967 2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.037 7.063 1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.746 5.966 1.370 1.00 0.00 H new ATOM 736 N ARG A 133 6.260 7.096 3.975 1.00 0.00 N ATOM 737 CA ARG A 133 4.849 6.970 3.801 1.00 0.00 C ATOM 738 C ARG A 133 4.473 7.504 2.440 1.00 0.00 C ATOM 739 O ARG A 133 4.990 8.545 2.003 1.00 0.00 O ATOM 740 CB ARG A 133 4.080 7.636 4.975 1.00 0.00 C ATOM 741 CG ARG A 133 4.243 9.145 5.126 1.00 0.00 C ATOM 742 CD ARG A 133 3.200 9.905 4.326 1.00 0.00 C ATOM 743 NE ARG A 133 3.305 11.359 4.503 1.00 0.00 N ATOM 744 CZ ARG A 133 2.383 12.253 4.100 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.276 11.852 3.489 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.582 13.542 4.303 1.00 0.00 N ATOM 0 H ARG A 133 6.641 8.001 3.699 1.00 0.00 H new ATOM 0 HA ARG A 133 4.554 5.921 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.019 7.418 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.400 7.164 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.163 9.416 6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.240 9.438 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.309 9.662 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.205 9.576 4.627 1.00 0.00 H new ATOM 0 HE ARG A 133 4.140 11.719 4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.118 10.859 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.583 12.537 3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.434 13.860 4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.884 14.220 3.998 1.00 0.00 H new ATOM 760 N GLU A 134 3.631 6.790 1.771 1.00 0.00 N ATOM 761 CA GLU A 134 3.242 7.099 0.439 1.00 0.00 C ATOM 762 C GLU A 134 1.768 6.779 0.249 1.00 0.00 C ATOM 763 O GLU A 134 1.238 5.890 0.916 1.00 0.00 O ATOM 764 CB GLU A 134 4.151 6.315 -0.509 1.00 0.00 C ATOM 765 CG GLU A 134 3.754 6.335 -1.947 1.00 0.00 C ATOM 766 CD GLU A 134 4.943 6.246 -2.859 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.392 5.135 -3.219 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.455 7.310 -3.253 1.00 0.00 O ATOM 0 H GLU A 134 3.184 5.954 2.147 1.00 0.00 H new ATOM 0 HA GLU A 134 3.357 8.161 0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.163 6.712 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.186 5.278 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.079 5.503 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.203 7.251 -2.158 1.00 0.00 H new ATOM 775 N GLU A 135 1.119 7.491 -0.642 1.00 0.00 N ATOM 776 CA GLU A 135 -0.286 7.330 -0.866 1.00 0.00 C ATOM 777 C GLU A 135 -0.494 6.511 -2.115 1.00 0.00 C ATOM 778 O GLU A 135 -0.037 6.864 -3.212 1.00 0.00 O ATOM 779 CB GLU A 135 -0.975 8.684 -0.992 1.00 0.00 C ATOM 780 CG GLU A 135 -2.476 8.587 -1.185 1.00 0.00 C ATOM 781 CD GLU A 135 -3.126 9.927 -1.329 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.208 10.438 -2.467 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.590 10.500 -0.311 1.00 0.00 O ATOM 0 H GLU A 135 1.558 8.199 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.728 6.813 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.770 9.271 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.543 9.225 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.687 7.988 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.915 8.064 -0.335 1.00 0.00 H new ATOM 790 N GLN A 136 -1.164 5.425 -1.936 1.00 0.00 N ATOM 791 CA GLN A 136 -1.386 4.450 -2.959 1.00 0.00 C ATOM 792 C GLN A 136 -2.863 4.204 -3.056 1.00 0.00 C ATOM 793 O GLN A 136 -3.603 4.560 -2.156 1.00 0.00 O ATOM 794 CB GLN A 136 -0.684 3.161 -2.560 1.00 0.00 C ATOM 795 CG GLN A 136 0.784 3.357 -2.212 1.00 0.00 C ATOM 796 CD GLN A 136 1.673 3.561 -3.420 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.251 4.053 -4.479 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.911 3.255 -3.257 1.00 0.00 N ATOM 0 H GLN A 136 -1.590 5.178 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.000 4.796 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.198 2.726 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.764 2.444 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.880 4.219 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.136 2.488 -1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.225 2.852 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.579 3.415 -4.011 1.00 0.00 H new ATOM 807 N ASN A 137 -3.289 3.616 -4.115 1.00 0.00 N ATOM 808 CA ASN A 137 -4.699 3.323 -4.304 1.00 0.00 C ATOM 809 C ASN A 137 -4.993 2.017 -3.655 1.00 0.00 C ATOM 810 O ASN A 137 -4.172 1.113 -3.707 1.00 0.00 O ATOM 811 CB ASN A 137 -5.042 3.198 -5.785 1.00 0.00 C ATOM 812 CG ASN A 137 -4.625 4.385 -6.608 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.395 5.332 -6.805 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.394 4.370 -7.060 1.00 0.00 N ATOM 0 H ASN A 137 -2.688 3.318 -4.883 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.285 4.134 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.563 2.304 -6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.118 3.056 -5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.038 5.161 -7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.792 3.568 -6.874 1.00 0.00 H new ATOM 821 N LEU A 138 -6.148 1.915 -3.062 1.00 0.00 N ATOM 822 CA LEU A 138 -6.608 0.673 -2.424 1.00 0.00 C ATOM 823 C LEU A 138 -6.592 -0.485 -3.426 1.00 0.00 C ATOM 824 O LEU A 138 -6.143 -1.572 -3.128 1.00 0.00 O ATOM 825 CB LEU A 138 -8.024 0.875 -1.888 1.00 0.00 C ATOM 826 CG LEU A 138 -8.176 1.947 -0.819 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.630 2.289 -0.630 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.580 1.477 0.491 1.00 0.00 C ATOM 0 H LEU A 138 -6.815 2.684 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.935 0.427 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.677 1.126 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.377 -0.072 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.641 2.839 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.726 3.057 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.041 2.660 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.176 1.398 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.697 2.256 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.093 0.573 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.520 1.263 0.353 1.00 0.00 H new ATOM 840 N SER A 139 -7.004 -0.198 -4.639 1.00 0.00 N ATOM 841 CA SER A 139 -7.081 -1.177 -5.696 1.00 0.00 C ATOM 842 C SER A 139 -5.684 -1.403 -6.323 1.00 0.00 C ATOM 843 O SER A 139 -5.488 -2.289 -7.158 1.00 0.00 O ATOM 844 CB SER A 139 -8.101 -0.684 -6.748 1.00 0.00 C ATOM 845 OG SER A 139 -8.336 -1.631 -7.778 1.00 0.00 O ATOM 0 H SER A 139 -7.299 0.736 -4.922 1.00 0.00 H new ATOM 0 HA SER A 139 -7.414 -2.136 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.044 -0.453 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.739 0.244 -7.191 1.00 0.00 H new ATOM 0 HG SER A 139 -7.533 -2.177 -7.910 1.00 0.00 H new ATOM 851 N ASP A 140 -4.709 -0.620 -5.911 1.00 0.00 N ATOM 852 CA ASP A 140 -3.364 -0.747 -6.464 1.00 0.00 C ATOM 853 C ASP A 140 -2.461 -1.401 -5.439 1.00 0.00 C ATOM 854 O ASP A 140 -1.318 -1.767 -5.728 1.00 0.00 O ATOM 855 CB ASP A 140 -2.803 0.617 -6.881 1.00 0.00 C ATOM 856 CG ASP A 140 -1.509 0.526 -7.679 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.558 0.195 -8.881 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.421 0.784 -7.119 1.00 0.00 O ATOM 0 H ASP A 140 -4.814 0.106 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.411 -1.369 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.551 1.142 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.628 1.217 -5.988 1.00 0.00 H new ATOM 863 N LEU A 141 -2.985 -1.561 -4.236 1.00 0.00 N ATOM 864 CA LEU A 141 -2.257 -2.213 -3.176 1.00 0.00 C ATOM 865 C LEU A 141 -2.057 -3.658 -3.503 1.00 0.00 C ATOM 866 O LEU A 141 -2.762 -4.227 -4.335 1.00 0.00 O ATOM 867 CB LEU A 141 -2.952 -2.093 -1.829 1.00 0.00 C ATOM 868 CG LEU A 141 -3.069 -0.702 -1.238 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.687 -0.784 0.137 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.712 -0.033 -1.176 1.00 0.00 C ATOM 0 H LEU A 141 -3.918 -1.244 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.295 -1.707 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.956 -2.505 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.419 -2.721 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.712 -0.098 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.770 0.218 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.679 -1.230 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.059 -1.399 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.817 0.964 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.042 -0.626 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.298 0.045 -2.181 1.00 0.00 H new ATOM 882 N LEU A 142 -1.109 -4.234 -2.884 1.00 0.00 N ATOM 883 CA LEU A 142 -0.759 -5.590 -3.134 1.00 0.00 C ATOM 884 C LEU A 142 -0.757 -6.328 -1.820 1.00 0.00 C ATOM 885 O LEU A 142 -0.710 -5.698 -0.752 1.00 0.00 O ATOM 886 CB LEU A 142 0.624 -5.614 -3.780 1.00 0.00 C ATOM 887 CG LEU A 142 0.756 -4.794 -5.065 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.202 -4.604 -5.436 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.014 -5.440 -6.210 1.00 0.00 C ATOM 0 H LEU A 142 -0.536 -3.778 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.470 -6.071 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.352 -5.246 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.887 -6.649 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 142 0.321 -3.812 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.268 -4.018 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.718 -4.079 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.668 -5.577 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.098 -4.836 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.378 -6.440 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.070 -5.507 -5.947 1.00 0.00 H new ATOM 901 N SER A 143 -0.814 -7.621 -1.885 1.00 0.00 N ATOM 902 CA SER A 143 -0.834 -8.451 -0.713 1.00 0.00 C ATOM 903 C SER A 143 0.523 -8.381 0.008 1.00 0.00 C ATOM 904 O SER A 143 1.586 -8.451 -0.641 1.00 0.00 O ATOM 905 CB SER A 143 -1.196 -9.870 -1.123 1.00 0.00 C ATOM 906 OG SER A 143 -2.412 -9.857 -1.870 1.00 0.00 O ATOM 0 H SER A 143 -0.849 -8.140 -2.762 1.00 0.00 H new ATOM 0 HA SER A 143 -1.586 -8.097 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.394 -10.302 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.307 -10.498 -0.239 1.00 0.00 H new ATOM 0 HG SER A 143 -2.643 -10.772 -2.135 1.00 0.00 H new ATOM 912 N PRO A 144 0.505 -8.239 1.350 1.00 0.00 N ATOM 913 CA PRO A 144 1.712 -8.008 2.150 1.00 0.00 C ATOM 914 C PRO A 144 2.716 -9.127 2.071 1.00 0.00 C ATOM 915 O PRO A 144 2.361 -10.294 1.919 1.00 0.00 O ATOM 916 CB PRO A 144 1.202 -7.881 3.581 1.00 0.00 C ATOM 917 CG PRO A 144 -0.124 -8.558 3.576 1.00 0.00 C ATOM 918 CD PRO A 144 -0.695 -8.342 2.204 1.00 0.00 C ATOM 0 HA PRO A 144 2.240 -7.128 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.884 -8.354 4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.111 -6.836 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -0.020 -9.621 3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.778 -8.140 4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.336 -9.170 1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.301 -7.437 2.158 1.00 0.00 H new ATOM 926 N ILE A 145 3.954 -8.764 2.153 1.00 0.00 N ATOM 927 CA ILE A 145 5.023 -9.719 2.173 1.00 0.00 C ATOM 928 C ILE A 145 5.202 -10.107 3.617 1.00 0.00 C ATOM 929 O ILE A 145 5.175 -9.242 4.500 1.00 0.00 O ATOM 930 CB ILE A 145 6.348 -9.111 1.657 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.133 -8.386 0.318 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.411 -10.204 1.514 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.363 -7.681 -0.218 1.00 0.00 C ATOM 0 H ILE A 145 4.258 -7.792 2.209 1.00 0.00 H new ATOM 0 HA ILE A 145 4.781 -10.564 1.529 1.00 0.00 H new ATOM 0 HB ILE A 145 6.697 -8.378 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.793 -9.110 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.334 -7.655 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.339 -9.763 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.586 -10.670 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.065 -10.958 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.122 -7.197 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.694 -6.930 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.160 -8.408 -0.375 1.00 0.00 H new ATOM 945 N CYS A 146 5.359 -11.347 3.868 1.00 0.00 N ATOM 946 CA CYS A 146 5.461 -11.811 5.210 1.00 0.00 C ATOM 947 C CYS A 146 6.914 -11.946 5.591 1.00 0.00 C ATOM 948 O CYS A 146 7.561 -12.952 5.304 1.00 0.00 O ATOM 949 CB CYS A 146 4.709 -13.129 5.397 1.00 0.00 C ATOM 950 SG CYS A 146 4.492 -13.645 7.122 1.00 0.00 S ATOM 0 H CYS A 146 5.421 -12.076 3.157 1.00 0.00 H new ATOM 0 HA CYS A 146 4.995 -11.081 5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 146 3.727 -13.039 4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 146 5.243 -13.914 4.862 1.00 0.00 H new ATOM 0 HG CYS A 146 3.842 -14.770 7.160 1.00 0.00 H new ATOM 956 N GLU A 147 7.435 -10.897 6.141 1.00 0.00 N ATOM 957 CA GLU A 147 8.779 -10.868 6.638 1.00 0.00 C ATOM 958 C GLU A 147 8.734 -10.315 8.038 1.00 0.00 C ATOM 959 O GLU A 147 8.823 -9.076 8.212 1.00 0.00 O ATOM 960 CB GLU A 147 9.723 -10.027 5.759 1.00 0.00 C ATOM 961 CG GLU A 147 9.931 -10.550 4.348 1.00 0.00 C ATOM 962 CD GLU A 147 10.917 -9.716 3.571 1.00 0.00 C ATOM 963 OE1 GLU A 147 12.134 -9.989 3.640 1.00 0.00 O ATOM 964 OE2 GLU A 147 10.506 -8.758 2.891 1.00 0.00 O ATOM 965 OXT GLU A 147 8.534 -11.106 8.975 1.00 0.00 O ATOM 0 H GLU A 147 6.932 -10.018 6.261 1.00 0.00 H new ATOM 0 HA GLU A 147 9.181 -11.881 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 147 9.329 -9.012 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 147 10.693 -9.964 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 147 10.285 -11.580 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 147 8.976 -10.563 3.823 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.811 3.443 -3.114 1.00 0.00 N HETATM 974 CA 2MR A1148 16.605 3.502 -1.674 1.00 0.00 C HETATM 975 CB 2MR A1148 16.151 2.148 -1.136 1.00 0.00 C HETATM 976 CG 2MR A1148 15.903 2.110 0.362 1.00 0.00 C HETATM 977 CD 2MR A1148 14.575 2.723 0.720 1.00 0.00 C HETATM 978 NE 2MR A1148 13.470 1.919 0.189 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.193 2.113 0.455 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.850 3.141 1.287 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.546 3.609 1.767 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.309 1.272 -0.120 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.858 1.213 -0.040 1.00 0.00 C HETATM 984 C 2MR A1148 17.898 3.888 -1.037 1.00 0.00 C HETATM 985 O 2MR A1148 17.954 4.925 -0.361 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.880 3.163 -1.224 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.557 1.061 0.996 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.435 2.148 -0.407 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.493 0.386 -0.649 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.928 3.900 0.917 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.052 2.808 2.317 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.687 4.467 2.424 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.730 0.555 -0.712 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.933 1.078 0.710 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.702 2.644 0.877 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.708 1.149 -0.436 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.486 2.801 1.804 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.518 3.736 0.322 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.235 1.857 -1.650 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.906 1.402 -1.384 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.829 4.233 -1.445 1.00 0.00 H new HETATM 0 H2 2MR A1148 17.117 4.274 -3.620 1.00 0.00 H new HETATM 0 H 2MR A1148 16.649 2.570 -3.617 1.00 0.00 H new