USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=21 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 DA2 HXT : A1148 DA2 OXT : A1148 DA2 C :(short bond) USER MOD Set 1.1: A 88 SER OG : rot 4:sc= 1.28 USER MOD Set 1.2: A 139 SER OG : rot 63:sc= 1.29 USER MOD Set 2.1: A 127 TYR OH : rot -150:sc= 0.719 USER MOD Set 2.2: A 136 GLN : amide:sc= -5.15! C(o=-4.4!,f=-7.2!) USER MOD Single : A 84 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.0892 K(o=0.089,f=-1.4) USER MOD Single : A 91 GLN : amide:sc= -1.05 K(o=-1,f=-0.23) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0.987 (180deg=0.77) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.16) USER MOD Single : A 98 CYS SG : rot -6:sc= 1.03 USER MOD Single : A 99 SER OG : rot 118:sc= 1.02 USER MOD Single : A 103 SER OG : rot 64:sc= 1.27 USER MOD Single : A 107 CYS SG : rot 118:sc= 1.1 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.307 USER MOD Single : A 119 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00529) USER MOD Single : A 122 THR OG1 : rot 72:sc= -0.237 USER MOD Single : A 123 CYS SG : rot 70:sc= -6.08! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00432 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 1.01 K(o=1,f=-5.5!) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 143 SER OG : rot 180:sc= -0.26 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.443 (180deg=-4.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -3.516 13.651 13.600 1.00 0.00 N ATOM 2 CA ASN A 84 -4.315 12.423 13.715 1.00 0.00 C ATOM 3 C ASN A 84 -4.406 11.741 12.366 1.00 0.00 C ATOM 4 O ASN A 84 -3.991 12.314 11.343 1.00 0.00 O ATOM 5 CB ASN A 84 -5.730 12.713 14.283 1.00 0.00 C ATOM 6 CG ASN A 84 -6.533 13.748 13.494 1.00 0.00 C ATOM 7 OD1 ASN A 84 -6.389 13.896 12.290 1.00 0.00 O ATOM 8 ND2 ASN A 84 -7.368 14.475 14.174 1.00 0.00 N ATOM 0 HA ASN A 84 -3.816 11.756 14.418 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.294 11.780 14.312 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.630 13.057 15.312 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.923 15.190 13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.469 14.331 15.179 1.00 0.00 H new ATOM 17 N THR A 85 -4.936 10.539 12.339 1.00 0.00 N ATOM 18 CA THR A 85 -5.090 9.833 11.111 1.00 0.00 C ATOM 19 C THR A 85 -6.471 10.135 10.530 1.00 0.00 C ATOM 20 O THR A 85 -7.474 9.507 10.889 1.00 0.00 O ATOM 21 CB THR A 85 -4.891 8.319 11.306 1.00 0.00 C ATOM 22 OG1 THR A 85 -3.632 8.102 11.987 1.00 0.00 O ATOM 23 CG2 THR A 85 -4.856 7.603 9.958 1.00 0.00 C ATOM 0 H THR A 85 -5.266 10.038 13.164 1.00 0.00 H new ATOM 0 HA THR A 85 -4.324 10.167 10.411 1.00 0.00 H new ATOM 0 HB THR A 85 -5.720 7.923 11.892 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.493 7.141 12.119 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.715 6.534 10.117 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.796 7.770 9.433 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.032 7.993 9.360 1.00 0.00 H new ATOM 31 N ALA A 86 -6.516 11.147 9.704 1.00 0.00 N ATOM 32 CA ALA A 86 -7.742 11.585 9.081 1.00 0.00 C ATOM 33 C ALA A 86 -7.940 10.875 7.753 1.00 0.00 C ATOM 34 O ALA A 86 -9.077 10.653 7.305 1.00 0.00 O ATOM 35 CB ALA A 86 -7.711 13.092 8.884 1.00 0.00 C ATOM 0 H ALA A 86 -5.698 11.696 9.441 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.581 11.335 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.639 13.417 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.603 13.583 9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.868 13.358 8.246 1.00 0.00 H new ATOM 41 N ALA A 87 -6.840 10.471 7.144 1.00 0.00 N ATOM 42 CA ALA A 87 -6.884 9.809 5.869 1.00 0.00 C ATOM 43 C ALA A 87 -7.209 8.324 6.021 1.00 0.00 C ATOM 44 O ALA A 87 -6.347 7.459 5.903 1.00 0.00 O ATOM 45 CB ALA A 87 -5.598 10.027 5.083 1.00 0.00 C ATOM 0 H ALA A 87 -5.901 10.595 7.522 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.693 10.259 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.666 9.513 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.452 11.094 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.754 9.631 5.648 1.00 0.00 H new ATOM 51 N SER A 88 -8.439 8.058 6.367 1.00 0.00 N ATOM 52 CA SER A 88 -8.942 6.712 6.484 1.00 0.00 C ATOM 53 C SER A 88 -10.176 6.602 5.581 1.00 0.00 C ATOM 54 O SER A 88 -10.931 5.641 5.613 1.00 0.00 O ATOM 55 CB SER A 88 -9.276 6.421 7.958 1.00 0.00 C ATOM 56 OG SER A 88 -9.600 5.046 8.194 1.00 0.00 O ATOM 0 H SER A 88 -9.131 8.777 6.579 1.00 0.00 H new ATOM 0 HA SER A 88 -8.204 5.974 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.426 6.701 8.580 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.115 7.045 8.265 1.00 0.00 H new ATOM 0 HG SER A 88 -9.477 4.534 7.367 1.00 0.00 H new ATOM 62 N LEU A 89 -10.318 7.596 4.741 1.00 0.00 N ATOM 63 CA LEU A 89 -11.404 7.708 3.779 1.00 0.00 C ATOM 64 C LEU A 89 -10.843 7.450 2.386 1.00 0.00 C ATOM 65 O LEU A 89 -11.299 7.987 1.376 1.00 0.00 O ATOM 66 CB LEU A 89 -12.059 9.109 3.919 1.00 0.00 C ATOM 67 CG LEU A 89 -11.119 10.341 4.094 1.00 0.00 C ATOM 68 CD1 LEU A 89 -10.301 10.659 2.846 1.00 0.00 C ATOM 69 CD2 LEU A 89 -11.914 11.551 4.534 1.00 0.00 C ATOM 0 H LEU A 89 -9.664 8.378 4.700 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.184 6.969 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.674 9.280 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.733 9.079 4.775 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.401 10.076 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.669 11.526 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.676 9.803 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.973 10.875 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.244 12.403 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.668 11.784 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.403 11.339 5.485 1.00 0.00 H new ATOM 81 N GLN A 90 -9.892 6.562 2.368 1.00 0.00 N ATOM 82 CA GLN A 90 -9.097 6.259 1.215 1.00 0.00 C ATOM 83 C GLN A 90 -9.839 5.330 0.260 1.00 0.00 C ATOM 84 O GLN A 90 -10.422 4.320 0.683 1.00 0.00 O ATOM 85 CB GLN A 90 -7.823 5.567 1.684 1.00 0.00 C ATOM 86 CG GLN A 90 -7.086 6.282 2.806 1.00 0.00 C ATOM 87 CD GLN A 90 -6.516 7.614 2.394 1.00 0.00 C ATOM 88 OE1 GLN A 90 -7.187 8.645 2.470 1.00 0.00 O ATOM 89 NE2 GLN A 90 -5.269 7.619 2.017 1.00 0.00 N ATOM 0 H GLN A 90 -9.640 6.009 3.187 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.874 7.186 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.075 4.560 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.149 5.462 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.769 6.431 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.278 5.644 3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.748 6.744 1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.814 8.498 1.772 1.00 0.00 H new ATOM 98 N GLN A 91 -9.822 5.669 -1.001 1.00 0.00 N ATOM 99 CA GLN A 91 -10.380 4.834 -2.033 1.00 0.00 C ATOM 100 C GLN A 91 -9.351 4.759 -3.138 1.00 0.00 C ATOM 101 O GLN A 91 -8.834 5.786 -3.570 1.00 0.00 O ATOM 102 CB GLN A 91 -11.714 5.394 -2.539 1.00 0.00 C ATOM 103 CG GLN A 91 -12.429 4.491 -3.543 1.00 0.00 C ATOM 104 CD GLN A 91 -12.722 3.085 -3.011 1.00 0.00 C ATOM 105 OE1 GLN A 91 -12.760 2.122 -3.779 1.00 0.00 O ATOM 106 NE2 GLN A 91 -12.934 2.949 -1.723 1.00 0.00 N ATOM 0 H GLN A 91 -9.417 6.540 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.600 3.838 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.372 5.563 -1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.536 6.365 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.368 4.961 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.819 4.409 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.896 3.764 -1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.137 2.028 -1.334 1.00 0.00 H new ATOM 115 N TRP A 92 -9.036 3.571 -3.576 1.00 0.00 N ATOM 116 CA TRP A 92 -7.923 3.378 -4.481 1.00 0.00 C ATOM 117 C TRP A 92 -8.304 2.586 -5.715 1.00 0.00 C ATOM 118 O TRP A 92 -9.364 1.939 -5.756 1.00 0.00 O ATOM 119 CB TRP A 92 -6.805 2.638 -3.750 1.00 0.00 C ATOM 120 CG TRP A 92 -6.235 3.370 -2.577 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.645 3.275 -1.286 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.140 4.296 -2.583 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.883 4.080 -0.489 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.953 4.722 -1.258 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.299 4.804 -3.579 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -3.965 5.633 -0.898 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.317 5.701 -3.219 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.158 6.106 -1.889 1.00 0.00 C ATOM 0 H TRP A 92 -9.532 2.716 -3.323 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.597 4.365 -4.808 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.187 1.675 -3.410 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.002 2.431 -4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.457 2.652 -0.940 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -5.991 4.186 0.520 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.417 4.499 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.842 5.953 0.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.658 6.099 -3.977 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.377 6.810 -1.642 1.00 0.00 H new ATOM 139 N LYS A 93 -7.450 2.666 -6.726 1.00 0.00 N ATOM 140 CA LYS A 93 -7.561 1.858 -7.918 1.00 0.00 C ATOM 141 C LYS A 93 -6.191 1.241 -8.198 1.00 0.00 C ATOM 142 O LYS A 93 -5.162 1.781 -7.772 1.00 0.00 O ATOM 143 CB LYS A 93 -8.053 2.666 -9.132 1.00 0.00 C ATOM 144 CG LYS A 93 -7.081 3.700 -9.640 1.00 0.00 C ATOM 145 CD LYS A 93 -7.682 4.516 -10.772 1.00 0.00 C ATOM 146 CE LYS A 93 -6.730 5.599 -11.268 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.446 6.615 -10.231 1.00 0.00 N ATOM 0 H LYS A 93 -6.654 3.303 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.307 1.081 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.282 1.974 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.985 3.164 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.793 4.363 -8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.172 3.208 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.939 3.854 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.610 4.977 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.795 5.139 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.161 6.086 -12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.718 7.272 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.315 7.144 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.104 6.145 -9.369 1.00 0.00 H new ATOM 161 N VAL A 94 -6.190 0.126 -8.871 1.00 0.00 N ATOM 162 CA VAL A 94 -4.968 -0.602 -9.210 1.00 0.00 C ATOM 163 C VAL A 94 -4.096 0.238 -10.138 1.00 0.00 C ATOM 164 O VAL A 94 -4.605 0.859 -11.087 1.00 0.00 O ATOM 165 CB VAL A 94 -5.304 -1.962 -9.882 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.046 -2.703 -10.317 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.111 -2.822 -8.934 1.00 0.00 C ATOM 0 H VAL A 94 -7.041 -0.321 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.421 -0.799 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.892 -1.755 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.323 -3.649 -10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.495 -2.094 -11.033 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.419 -2.897 -9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.342 -3.773 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.534 -3.003 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.039 -2.310 -8.678 1.00 0.00 H new ATOM 177 N GLY A 95 -2.807 0.274 -9.858 1.00 0.00 N ATOM 178 CA GLY A 95 -1.904 1.046 -10.660 1.00 0.00 C ATOM 179 C GLY A 95 -1.691 2.424 -10.100 1.00 0.00 C ATOM 180 O GLY A 95 -1.135 3.294 -10.769 1.00 0.00 O ATOM 0 H GLY A 95 -2.372 -0.224 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.946 0.530 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.296 1.123 -11.674 1.00 0.00 H new ATOM 184 N ASP A 96 -2.135 2.638 -8.886 1.00 0.00 N ATOM 185 CA ASP A 96 -1.950 3.917 -8.237 1.00 0.00 C ATOM 186 C ASP A 96 -0.802 3.860 -7.304 1.00 0.00 C ATOM 187 O ASP A 96 -0.542 2.822 -6.678 1.00 0.00 O ATOM 188 CB ASP A 96 -3.193 4.418 -7.492 1.00 0.00 C ATOM 189 CG ASP A 96 -4.006 5.420 -8.291 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.432 6.131 -9.145 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.220 5.586 -8.034 1.00 0.00 O ATOM 0 H ASP A 96 -2.628 1.943 -8.325 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.755 4.631 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.825 3.567 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.885 4.877 -6.552 1.00 0.00 H new ATOM 196 N LYS A 97 -0.094 4.939 -7.241 1.00 0.00 N ATOM 197 CA LYS A 97 1.029 5.069 -6.383 1.00 0.00 C ATOM 198 C LYS A 97 0.557 5.421 -5.005 1.00 0.00 C ATOM 199 O LYS A 97 -0.419 6.169 -4.849 1.00 0.00 O ATOM 200 CB LYS A 97 1.930 6.157 -6.888 1.00 0.00 C ATOM 201 CG LYS A 97 2.333 5.973 -8.326 1.00 0.00 C ATOM 202 CD LYS A 97 3.464 6.889 -8.679 1.00 0.00 C ATOM 203 CE LYS A 97 3.081 8.359 -8.508 1.00 0.00 C ATOM 204 NZ LYS A 97 4.166 9.285 -8.893 1.00 0.00 N ATOM 0 H LYS A 97 -0.287 5.771 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 97 1.577 4.127 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.426 7.117 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.826 6.195 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.630 4.938 -8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.481 6.171 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.325 6.662 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.767 6.710 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.198 8.572 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.808 8.539 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.791 10.253 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.922 9.249 -8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.549 9.005 -9.818 1.00 0.00 H new ATOM 218 N CYS A 98 1.231 4.920 -4.029 1.00 0.00 N ATOM 219 CA CYS A 98 0.871 5.150 -2.656 1.00 0.00 C ATOM 220 C CYS A 98 2.078 4.893 -1.766 1.00 0.00 C ATOM 221 O CYS A 98 3.212 4.758 -2.256 1.00 0.00 O ATOM 222 CB CYS A 98 -0.299 4.224 -2.270 1.00 0.00 C ATOM 223 SG CYS A 98 0.026 2.475 -2.529 1.00 0.00 S ATOM 0 H CYS A 98 2.056 4.333 -4.153 1.00 0.00 H new ATOM 0 HA CYS A 98 0.554 6.185 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.543 4.385 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.178 4.508 -2.849 1.00 0.00 H new ATOM 0 HG CYS A 98 1.168 2.331 -3.133 1.00 0.00 H new ATOM 229 N SER A 99 1.856 4.863 -0.500 1.00 0.00 N ATOM 230 CA SER A 99 2.864 4.514 0.429 1.00 0.00 C ATOM 231 C SER A 99 2.257 3.517 1.380 1.00 0.00 C ATOM 232 O SER A 99 1.052 3.606 1.694 1.00 0.00 O ATOM 233 CB SER A 99 3.357 5.714 1.184 1.00 0.00 C ATOM 234 OG SER A 99 3.663 6.804 0.310 1.00 0.00 O ATOM 0 H SER A 99 0.955 5.084 -0.077 1.00 0.00 H new ATOM 0 HA SER A 99 3.724 4.095 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.600 6.027 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.246 5.445 1.754 1.00 0.00 H new ATOM 0 HG SER A 99 3.077 7.562 0.515 1.00 0.00 H new ATOM 240 N ALA A 100 3.047 2.604 1.828 1.00 0.00 N ATOM 241 CA ALA A 100 2.569 1.517 2.628 1.00 0.00 C ATOM 242 C ALA A 100 3.488 1.258 3.799 1.00 0.00 C ATOM 243 O ALA A 100 4.638 1.711 3.803 1.00 0.00 O ATOM 244 CB ALA A 100 2.434 0.287 1.760 1.00 0.00 C ATOM 0 H ALA A 100 4.051 2.585 1.651 1.00 0.00 H new ATOM 0 HA ALA A 100 1.593 1.776 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.070 -0.545 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.729 0.487 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.406 0.032 1.337 1.00 0.00 H new ATOM 250 N ILE A 101 2.972 0.572 4.794 1.00 0.00 N ATOM 251 CA ILE A 101 3.731 0.215 5.975 1.00 0.00 C ATOM 252 C ILE A 101 4.351 -1.148 5.752 1.00 0.00 C ATOM 253 O ILE A 101 3.631 -2.138 5.587 1.00 0.00 O ATOM 254 CB ILE A 101 2.826 0.147 7.258 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.399 1.540 7.712 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.533 -0.589 8.413 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.521 2.337 8.345 1.00 0.00 C ATOM 0 H ILE A 101 2.007 0.243 4.808 1.00 0.00 H new ATOM 0 HA ILE A 101 4.490 0.981 6.136 1.00 0.00 H new ATOM 0 HB ILE A 101 1.935 -0.418 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.011 2.090 6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.582 1.446 8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.877 -0.616 9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.769 -1.607 8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.454 -0.065 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.148 3.316 8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.894 1.807 9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.330 2.461 7.625 1.00 0.00 H new ATOM 269 N TRP A 102 5.661 -1.195 5.744 1.00 0.00 N ATOM 270 CA TRP A 102 6.382 -2.429 5.557 1.00 0.00 C ATOM 271 C TRP A 102 6.176 -3.323 6.751 1.00 0.00 C ATOM 272 O TRP A 102 6.417 -2.907 7.854 1.00 0.00 O ATOM 273 CB TRP A 102 7.873 -2.147 5.377 1.00 0.00 C ATOM 274 CG TRP A 102 8.649 -3.323 4.868 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.161 -4.349 4.124 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.048 -3.575 5.014 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.140 -5.227 3.822 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.317 -4.781 4.343 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.096 -2.909 5.644 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.585 -5.335 4.284 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.361 -3.460 5.585 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.592 -4.665 4.907 1.00 0.00 C ATOM 0 H TRP A 102 6.258 -0.377 5.867 1.00 0.00 H new ATOM 0 HA TRP A 102 6.006 -2.926 4.663 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.996 -1.314 4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.292 -1.832 6.332 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.131 -4.449 3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.018 -6.088 3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.923 -1.981 6.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.767 -6.263 3.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.184 -2.955 6.068 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.592 -5.071 4.879 1.00 0.00 H new ATOM 293 N SER A 103 5.753 -4.545 6.527 1.00 0.00 N ATOM 294 CA SER A 103 5.536 -5.502 7.599 1.00 0.00 C ATOM 295 C SER A 103 6.792 -5.747 8.428 1.00 0.00 C ATOM 296 O SER A 103 6.719 -6.029 9.628 1.00 0.00 O ATOM 297 CB SER A 103 5.062 -6.828 7.020 1.00 0.00 C ATOM 298 OG SER A 103 3.664 -6.846 6.763 1.00 0.00 O ATOM 0 H SER A 103 5.548 -4.909 5.597 1.00 0.00 H new ATOM 0 HA SER A 103 4.779 -5.075 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.600 -7.028 6.094 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.310 -7.632 7.713 1.00 0.00 H new ATOM 0 HG SER A 103 3.450 -6.183 6.074 1.00 0.00 H new ATOM 304 N GLU A 104 7.929 -5.595 7.811 1.00 0.00 N ATOM 305 CA GLU A 104 9.157 -5.961 8.453 1.00 0.00 C ATOM 306 C GLU A 104 9.697 -4.866 9.342 1.00 0.00 C ATOM 307 O GLU A 104 10.158 -5.132 10.442 1.00 0.00 O ATOM 308 CB GLU A 104 10.182 -6.386 7.432 1.00 0.00 C ATOM 309 CG GLU A 104 9.698 -7.491 6.514 1.00 0.00 C ATOM 310 CD GLU A 104 9.313 -8.757 7.244 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.201 -9.598 7.546 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.125 -8.943 7.544 1.00 0.00 O ATOM 0 H GLU A 104 8.030 -5.221 6.867 1.00 0.00 H new ATOM 0 HA GLU A 104 8.938 -6.808 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.464 -5.522 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.081 -6.722 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.838 -7.132 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.481 -7.722 5.792 1.00 0.00 H new ATOM 319 N ASP A 105 9.626 -3.630 8.895 1.00 0.00 N ATOM 320 CA ASP A 105 10.195 -2.551 9.716 1.00 0.00 C ATOM 321 C ASP A 105 9.097 -1.686 10.299 1.00 0.00 C ATOM 322 O ASP A 105 9.287 -0.977 11.287 1.00 0.00 O ATOM 323 CB ASP A 105 11.158 -1.699 8.892 1.00 0.00 C ATOM 324 CG ASP A 105 12.065 -0.832 9.748 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.110 -1.323 10.204 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.772 0.344 9.950 1.00 0.00 O ATOM 0 H ASP A 105 9.204 -3.342 8.012 1.00 0.00 H new ATOM 0 HA ASP A 105 10.749 -3.006 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.770 -2.352 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.585 -1.062 8.218 1.00 0.00 H new ATOM 331 N GLY A 106 7.927 -1.791 9.717 1.00 0.00 N ATOM 332 CA GLY A 106 6.781 -1.024 10.180 1.00 0.00 C ATOM 333 C GLY A 106 6.797 0.404 9.682 1.00 0.00 C ATOM 334 O GLY A 106 6.003 1.222 10.118 1.00 0.00 O ATOM 0 H GLY A 106 7.737 -2.399 8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.864 -1.511 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.764 -1.025 11.270 1.00 0.00 H new ATOM 338 N CYS A 107 7.720 0.711 8.805 1.00 0.00 N ATOM 339 CA CYS A 107 7.846 2.048 8.287 1.00 0.00 C ATOM 340 C CYS A 107 7.095 2.267 6.994 1.00 0.00 C ATOM 341 O CYS A 107 6.744 1.312 6.295 1.00 0.00 O ATOM 342 CB CYS A 107 9.297 2.437 8.145 1.00 0.00 C ATOM 343 SG CYS A 107 10.139 2.658 9.706 1.00 0.00 S ATOM 0 H CYS A 107 8.399 0.047 8.433 1.00 0.00 H new ATOM 0 HA CYS A 107 7.377 2.703 9.021 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.815 1.670 7.569 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.361 3.363 7.574 1.00 0.00 H new ATOM 0 HG CYS A 107 11.113 1.801 9.799 1.00 0.00 H new ATOM 349 N ILE A 108 6.868 3.528 6.686 1.00 0.00 N ATOM 350 CA ILE A 108 6.250 3.950 5.447 1.00 0.00 C ATOM 351 C ILE A 108 7.277 3.872 4.342 1.00 0.00 C ATOM 352 O ILE A 108 8.387 4.410 4.475 1.00 0.00 O ATOM 353 CB ILE A 108 5.781 5.423 5.508 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.836 5.669 6.666 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.099 5.796 4.202 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.484 5.045 6.505 1.00 0.00 C ATOM 0 H ILE A 108 7.113 4.303 7.303 1.00 0.00 H new ATOM 0 HA ILE A 108 5.392 3.300 5.272 1.00 0.00 H new ATOM 0 HB ILE A 108 6.662 6.046 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.293 5.287 7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.713 6.744 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.769 6.834 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.801 5.674 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.237 5.148 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.873 5.271 7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.003 5.444 5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.591 3.965 6.407 1.00 0.00 H new ATOM 368 N TYR A 109 6.927 3.212 3.301 1.00 0.00 N ATOM 369 CA TYR A 109 7.747 3.097 2.119 1.00 0.00 C ATOM 370 C TYR A 109 6.882 3.292 0.887 1.00 0.00 C ATOM 371 O TYR A 109 5.673 3.024 0.936 1.00 0.00 O ATOM 372 CB TYR A 109 8.434 1.742 2.053 1.00 0.00 C ATOM 373 CG TYR A 109 9.546 1.543 3.051 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.844 1.921 2.747 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.308 0.940 4.269 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.874 1.700 3.635 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.325 0.721 5.170 1.00 0.00 C ATOM 378 CZ TYR A 109 11.613 1.099 4.851 1.00 0.00 C ATOM 379 OH TYR A 109 12.645 0.866 5.744 1.00 0.00 O ATOM 0 H TYR A 109 6.038 2.716 3.230 1.00 0.00 H new ATOM 0 HA TYR A 109 8.519 3.865 2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.686 0.964 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.837 1.604 1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.051 2.396 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.303 0.634 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.881 1.995 3.381 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.116 0.256 6.122 1.00 0.00 H new ATOM 0 HH TYR A 109 12.289 0.438 6.550 1.00 0.00 H new ATOM 389 N PRO A 110 7.459 3.798 -0.210 1.00 0.00 N ATOM 390 CA PRO A 110 6.726 4.011 -1.456 1.00 0.00 C ATOM 391 C PRO A 110 6.356 2.691 -2.125 1.00 0.00 C ATOM 392 O PRO A 110 7.204 1.807 -2.314 1.00 0.00 O ATOM 393 CB PRO A 110 7.713 4.787 -2.328 1.00 0.00 C ATOM 394 CG PRO A 110 9.060 4.439 -1.793 1.00 0.00 C ATOM 395 CD PRO A 110 8.876 4.206 -0.326 1.00 0.00 C ATOM 0 HA PRO A 110 5.784 4.535 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.620 4.504 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.531 5.860 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.456 3.549 -2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.771 5.245 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.547 3.431 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.082 5.107 0.251 1.00 0.00 H new ATOM 403 N ALA A 111 5.113 2.553 -2.484 1.00 0.00 N ATOM 404 CA ALA A 111 4.646 1.351 -3.099 1.00 0.00 C ATOM 405 C ALA A 111 3.530 1.651 -4.066 1.00 0.00 C ATOM 406 O ALA A 111 2.811 2.620 -3.909 1.00 0.00 O ATOM 407 CB ALA A 111 4.179 0.373 -2.048 1.00 0.00 C ATOM 0 H ALA A 111 4.398 3.270 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 111 5.471 0.903 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.826 -0.538 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.007 0.133 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.367 0.817 -1.473 1.00 0.00 H new ATOM 413 N THR A 112 3.386 0.847 -5.056 1.00 0.00 N ATOM 414 CA THR A 112 2.326 1.037 -6.005 1.00 0.00 C ATOM 415 C THR A 112 1.362 -0.133 -5.889 1.00 0.00 C ATOM 416 O THR A 112 1.778 -1.240 -5.561 1.00 0.00 O ATOM 417 CB THR A 112 2.914 1.117 -7.420 1.00 0.00 C ATOM 418 OG1 THR A 112 4.036 2.021 -7.389 1.00 0.00 O ATOM 419 CG2 THR A 112 1.889 1.664 -8.395 1.00 0.00 C ATOM 0 H THR A 112 3.987 0.044 -5.239 1.00 0.00 H new ATOM 0 HA THR A 112 1.793 1.966 -5.803 1.00 0.00 H new ATOM 0 HB THR A 112 3.213 0.119 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.429 2.086 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.326 1.713 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.017 1.010 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.586 2.663 -8.082 1.00 0.00 H new ATOM 427 N ILE A 113 0.106 0.113 -6.135 1.00 0.00 N ATOM 428 CA ILE A 113 -0.914 -0.904 -6.011 1.00 0.00 C ATOM 429 C ILE A 113 -0.859 -1.886 -7.176 1.00 0.00 C ATOM 430 O ILE A 113 -0.939 -1.487 -8.352 1.00 0.00 O ATOM 431 CB ILE A 113 -2.310 -0.263 -5.939 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.355 0.732 -4.783 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.375 -1.337 -5.755 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.612 1.545 -4.733 1.00 0.00 C ATOM 0 H ILE A 113 -0.246 1.024 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.723 -1.451 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.511 0.264 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.247 0.189 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.501 1.405 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.358 -0.870 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.344 -2.028 -6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.186 -1.882 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.570 2.229 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.712 2.117 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.470 0.882 -4.622 1.00 0.00 H new ATOM 446 N ALA A 114 -0.735 -3.147 -6.845 1.00 0.00 N ATOM 447 CA ALA A 114 -0.672 -4.212 -7.820 1.00 0.00 C ATOM 448 C ALA A 114 -2.041 -4.832 -8.009 1.00 0.00 C ATOM 449 O ALA A 114 -2.406 -5.217 -9.116 1.00 0.00 O ATOM 450 CB ALA A 114 0.322 -5.270 -7.377 1.00 0.00 C ATOM 0 H ALA A 114 -0.674 -3.469 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.341 -3.794 -8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.360 -6.067 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.310 -4.821 -7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.010 -5.683 -6.418 1.00 0.00 H new ATOM 456 N SER A 115 -2.795 -4.934 -6.933 1.00 0.00 N ATOM 457 CA SER A 115 -4.119 -5.506 -6.983 1.00 0.00 C ATOM 458 C SER A 115 -4.928 -5.051 -5.791 1.00 0.00 C ATOM 459 O SER A 115 -4.360 -4.761 -4.752 1.00 0.00 O ATOM 460 CB SER A 115 -4.005 -7.027 -6.998 1.00 0.00 C ATOM 461 OG SER A 115 -3.138 -7.497 -5.961 1.00 0.00 O ATOM 0 H SER A 115 -2.506 -4.624 -6.005 1.00 0.00 H new ATOM 0 HA SER A 115 -4.627 -5.173 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.994 -7.468 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.627 -7.355 -7.966 1.00 0.00 H new ATOM 0 HG SER A 115 -3.087 -8.475 -5.996 1.00 0.00 H new ATOM 467 N ILE A 116 -6.230 -4.938 -5.953 1.00 0.00 N ATOM 468 CA ILE A 116 -7.115 -4.585 -4.873 1.00 0.00 C ATOM 469 C ILE A 116 -8.216 -5.608 -4.753 1.00 0.00 C ATOM 470 O ILE A 116 -8.884 -5.929 -5.742 1.00 0.00 O ATOM 471 CB ILE A 116 -7.778 -3.217 -5.115 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.742 -2.113 -5.166 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.829 -2.932 -4.049 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.301 -0.810 -5.603 1.00 0.00 C ATOM 0 H ILE A 116 -6.702 -5.090 -6.844 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.515 -4.547 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.278 -3.249 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.295 -1.997 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.942 -2.405 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.285 -1.960 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.596 -3.705 -4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.358 -2.926 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.509 -0.061 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.724 -0.912 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.082 -0.498 -4.909 1.00 0.00 H new ATOM 486 N ASP A 117 -8.407 -6.100 -3.567 1.00 0.00 N ATOM 487 CA ASP A 117 -9.508 -6.975 -3.283 1.00 0.00 C ATOM 488 C ASP A 117 -10.423 -6.228 -2.354 1.00 0.00 C ATOM 489 O ASP A 117 -10.138 -6.098 -1.156 1.00 0.00 O ATOM 490 CB ASP A 117 -9.065 -8.272 -2.635 1.00 0.00 C ATOM 491 CG ASP A 117 -10.167 -9.323 -2.649 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.042 -9.308 -1.759 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.176 -10.190 -3.564 1.00 0.00 O ATOM 0 H ASP A 117 -7.805 -5.907 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.003 -7.251 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.190 -8.658 -3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.762 -8.078 -1.606 1.00 0.00 H new ATOM 498 N PHE A 118 -11.483 -5.706 -2.890 1.00 0.00 N ATOM 499 CA PHE A 118 -12.410 -4.880 -2.138 1.00 0.00 C ATOM 500 C PHE A 118 -13.140 -5.692 -1.083 1.00 0.00 C ATOM 501 O PHE A 118 -13.588 -5.145 -0.082 1.00 0.00 O ATOM 502 CB PHE A 118 -13.418 -4.207 -3.071 1.00 0.00 C ATOM 503 CG PHE A 118 -12.816 -3.263 -4.082 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.437 -1.977 -3.717 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.639 -3.657 -5.399 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.895 -1.109 -4.646 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.100 -2.793 -6.330 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.728 -1.517 -5.955 1.00 0.00 C ATOM 0 H PHE A 118 -11.742 -5.835 -3.868 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.827 -4.108 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.972 -4.981 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.139 -3.657 -2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.567 -1.652 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.927 -4.653 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.602 -0.113 -4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.969 -3.115 -7.353 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.307 -0.840 -6.684 1.00 0.00 H new ATOM 518 N LYS A 119 -13.237 -6.993 -1.301 1.00 0.00 N ATOM 519 CA LYS A 119 -13.914 -7.870 -0.367 1.00 0.00 C ATOM 520 C LYS A 119 -13.053 -8.080 0.882 1.00 0.00 C ATOM 521 O LYS A 119 -13.561 -8.106 2.017 1.00 0.00 O ATOM 522 CB LYS A 119 -14.273 -9.192 -1.042 1.00 0.00 C ATOM 523 CG LYS A 119 -15.110 -9.020 -2.309 1.00 0.00 C ATOM 524 CD LYS A 119 -16.459 -8.367 -2.024 1.00 0.00 C ATOM 525 CE LYS A 119 -17.215 -8.038 -3.308 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.522 -9.233 -4.131 1.00 0.00 N ATOM 0 H LYS A 119 -12.853 -7.464 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.846 -7.403 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.355 -9.725 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.821 -9.815 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.559 -8.413 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.270 -9.994 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.062 -9.034 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.306 -7.454 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.146 -7.532 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.624 -7.340 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.065 -8.946 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.635 -9.686 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.082 -9.906 -3.570 1.00 0.00 H new ATOM 540 N ARG A 120 -11.737 -8.198 0.686 1.00 0.00 N ATOM 541 CA ARG A 120 -10.826 -8.304 1.820 1.00 0.00 C ATOM 542 C ARG A 120 -10.557 -6.905 2.355 1.00 0.00 C ATOM 543 O ARG A 120 -9.969 -6.745 3.442 1.00 0.00 O ATOM 544 CB ARG A 120 -9.471 -8.867 1.389 1.00 0.00 C ATOM 545 CG ARG A 120 -9.464 -10.231 0.752 1.00 0.00 C ATOM 546 CD ARG A 120 -8.067 -10.553 0.235 1.00 0.00 C ATOM 547 NE ARG A 120 -8.006 -11.824 -0.493 1.00 0.00 N ATOM 548 CZ ARG A 120 -6.984 -12.223 -1.280 1.00 0.00 C ATOM 549 NH1 ARG A 120 -5.846 -11.520 -1.345 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.086 -13.357 -1.953 1.00 0.00 N ATOM 0 H ARG A 120 -11.289 -8.222 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.285 -8.958 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.021 -8.164 0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.825 -8.900 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.775 -10.983 1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.181 -10.263 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.733 -9.749 -0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.373 -10.588 1.075 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.799 -12.458 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.741 -10.668 -0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.084 -11.837 -1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.932 -13.922 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.319 -13.666 -2.550 1.00 0.00 H new ATOM 564 N GLU A 121 -11.023 -5.900 1.582 1.00 0.00 N ATOM 565 CA GLU A 121 -10.856 -4.480 1.858 1.00 0.00 C ATOM 566 C GLU A 121 -9.337 -4.156 1.868 1.00 0.00 C ATOM 567 O GLU A 121 -8.876 -3.152 2.458 1.00 0.00 O ATOM 568 CB GLU A 121 -11.530 -4.125 3.199 1.00 0.00 C ATOM 569 CG GLU A 121 -11.800 -2.646 3.417 1.00 0.00 C ATOM 570 CD GLU A 121 -12.952 -2.121 2.607 1.00 0.00 C ATOM 571 OE1 GLU A 121 -14.060 -2.671 2.713 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.772 -1.143 1.843 1.00 0.00 O ATOM 0 H GLU A 121 -11.542 -6.075 0.722 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.335 -3.877 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.475 -4.664 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.899 -4.486 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.001 -2.474 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.903 -2.080 3.167 1.00 0.00 H new ATOM 579 N THR A 122 -8.567 -4.979 1.153 1.00 0.00 N ATOM 580 CA THR A 122 -7.138 -4.869 1.148 1.00 0.00 C ATOM 581 C THR A 122 -6.615 -4.838 -0.273 1.00 0.00 C ATOM 582 O THR A 122 -7.348 -5.109 -1.225 1.00 0.00 O ATOM 583 CB THR A 122 -6.469 -6.048 1.904 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.829 -7.296 1.298 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.871 -6.073 3.361 1.00 0.00 C ATOM 0 H THR A 122 -8.931 -5.732 0.569 1.00 0.00 H new ATOM 0 HA THR A 122 -6.886 -3.939 1.658 1.00 0.00 H new ATOM 0 HB THR A 122 -5.390 -5.903 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.372 -7.385 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.384 -6.911 3.859 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.567 -5.141 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.953 -6.184 3.438 1.00 0.00 H new ATOM 593 N CYS A 123 -5.373 -4.518 -0.414 1.00 0.00 N ATOM 594 CA CYS A 123 -4.739 -4.451 -1.687 1.00 0.00 C ATOM 595 C CYS A 123 -3.284 -4.819 -1.566 1.00 0.00 C ATOM 596 O CYS A 123 -2.690 -4.623 -0.520 1.00 0.00 O ATOM 597 CB CYS A 123 -4.901 -3.059 -2.240 1.00 0.00 C ATOM 598 SG CYS A 123 -4.502 -1.786 -1.044 1.00 0.00 S ATOM 0 H CYS A 123 -4.758 -4.291 0.368 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.204 -5.162 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.260 -2.943 -3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.929 -2.924 -2.578 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.221 -1.786 -0.821 1.00 0.00 H new ATOM 604 N VAL A 124 -2.726 -5.354 -2.610 1.00 0.00 N ATOM 605 CA VAL A 124 -1.336 -5.718 -2.619 1.00 0.00 C ATOM 606 C VAL A 124 -0.555 -4.597 -3.253 1.00 0.00 C ATOM 607 O VAL A 124 -0.944 -4.088 -4.315 1.00 0.00 O ATOM 608 CB VAL A 124 -1.099 -7.039 -3.399 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.378 -7.422 -3.415 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.921 -8.154 -2.790 1.00 0.00 C ATOM 0 H VAL A 124 -3.219 -5.552 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.005 -5.882 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.413 -6.881 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.507 -8.352 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.954 -6.631 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.730 -7.558 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.749 -9.077 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.629 -8.295 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.979 -7.894 -2.838 1.00 0.00 H new ATOM 620 N VAL A 125 0.513 -4.207 -2.624 1.00 0.00 N ATOM 621 CA VAL A 125 1.333 -3.145 -3.120 1.00 0.00 C ATOM 622 C VAL A 125 2.721 -3.659 -3.381 1.00 0.00 C ATOM 623 O VAL A 125 3.178 -4.608 -2.737 1.00 0.00 O ATOM 624 CB VAL A 125 1.431 -1.956 -2.121 1.00 0.00 C ATOM 625 CG1 VAL A 125 0.064 -1.356 -1.822 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.154 -2.372 -0.833 1.00 0.00 C ATOM 0 H VAL A 125 0.840 -4.618 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 125 0.868 -2.784 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 125 2.026 -1.178 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.175 -0.529 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.383 -0.990 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.580 -2.119 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.207 -1.521 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.606 -3.184 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.163 -2.707 -1.074 1.00 0.00 H new ATOM 636 N VAL A 126 3.359 -3.075 -4.340 1.00 0.00 N ATOM 637 CA VAL A 126 4.711 -3.397 -4.658 1.00 0.00 C ATOM 638 C VAL A 126 5.575 -2.220 -4.291 1.00 0.00 C ATOM 639 O VAL A 126 5.392 -1.117 -4.837 1.00 0.00 O ATOM 640 CB VAL A 126 4.905 -3.709 -6.155 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.371 -4.012 -6.445 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.036 -4.870 -6.575 1.00 0.00 C ATOM 0 H VAL A 126 2.951 -2.352 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 126 4.987 -4.291 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 126 4.607 -2.833 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.494 -4.231 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.981 -3.148 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.687 -4.874 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.188 -5.074 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.303 -5.753 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.989 -4.623 -6.400 1.00 0.00 H new ATOM 652 N TYR A 127 6.483 -2.438 -3.386 1.00 0.00 N ATOM 653 CA TYR A 127 7.381 -1.408 -2.930 1.00 0.00 C ATOM 654 C TYR A 127 8.349 -1.035 -4.007 1.00 0.00 C ATOM 655 O TYR A 127 9.149 -1.869 -4.474 1.00 0.00 O ATOM 656 CB TYR A 127 8.118 -1.835 -1.687 1.00 0.00 C ATOM 657 CG TYR A 127 7.213 -2.038 -0.519 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.792 -0.954 0.225 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.777 -3.306 -0.152 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.963 -1.112 1.294 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.950 -3.476 0.918 1.00 0.00 C ATOM 662 CZ TYR A 127 5.540 -2.364 1.644 1.00 0.00 C ATOM 663 OH TYR A 127 4.682 -2.498 2.700 1.00 0.00 O ATOM 0 H TYR A 127 6.626 -3.343 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 127 6.781 -0.532 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.656 -2.761 -1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.864 -1.081 -1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.126 0.037 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.097 -4.166 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.641 -0.252 1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.617 -4.464 1.199 1.00 0.00 H new ATOM 0 HH TYR A 127 4.829 -3.365 3.133 1.00 0.00 H new ATOM 673 N THR A 128 8.267 0.194 -4.391 1.00 0.00 N ATOM 674 CA THR A 128 9.046 0.746 -5.436 1.00 0.00 C ATOM 675 C THR A 128 10.526 0.754 -5.050 1.00 0.00 C ATOM 676 O THR A 128 10.885 1.153 -3.942 1.00 0.00 O ATOM 677 CB THR A 128 8.570 2.177 -5.675 1.00 0.00 C ATOM 678 OG1 THR A 128 7.136 2.162 -5.850 1.00 0.00 O ATOM 679 CG2 THR A 128 9.226 2.743 -6.905 1.00 0.00 C ATOM 0 H THR A 128 7.628 0.865 -3.965 1.00 0.00 H new ATOM 0 HA THR A 128 8.932 0.147 -6.340 1.00 0.00 H new ATOM 0 HB THR A 128 8.837 2.800 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.816 3.075 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.879 3.764 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.308 2.744 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.967 2.132 -7.769 1.00 0.00 H new ATOM 687 N GLY A 129 11.362 0.275 -5.942 1.00 0.00 N ATOM 688 CA GLY A 129 12.779 0.254 -5.699 1.00 0.00 C ATOM 689 C GLY A 129 13.217 -1.064 -5.119 1.00 0.00 C ATOM 690 O GLY A 129 14.405 -1.413 -5.151 1.00 0.00 O ATOM 0 H GLY A 129 11.080 -0.106 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.312 0.438 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.044 1.060 -5.015 1.00 0.00 H new ATOM 694 N TYR A 130 12.272 -1.791 -4.570 1.00 0.00 N ATOM 695 CA TYR A 130 12.565 -3.058 -3.951 1.00 0.00 C ATOM 696 C TYR A 130 11.974 -4.210 -4.737 1.00 0.00 C ATOM 697 O TYR A 130 12.630 -5.229 -4.947 1.00 0.00 O ATOM 698 CB TYR A 130 12.052 -3.077 -2.518 1.00 0.00 C ATOM 699 CG TYR A 130 12.585 -1.939 -1.690 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.866 -1.977 -1.182 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.807 -0.823 -1.431 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.362 -0.938 -0.431 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.294 0.225 -0.683 1.00 0.00 C ATOM 704 CZ TYR A 130 13.575 0.162 -0.184 1.00 0.00 C ATOM 705 OH TYR A 130 14.074 1.207 0.561 1.00 0.00 O ATOM 0 H TYR A 130 11.288 -1.523 -4.541 1.00 0.00 H new ATOM 0 HA TYR A 130 13.648 -3.182 -3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.963 -3.034 -2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.330 -4.021 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.490 -2.837 -1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.802 -0.774 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.366 -0.986 -0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.676 1.089 -0.489 1.00 0.00 H new ATOM 0 HH TYR A 130 13.392 1.906 0.642 1.00 0.00 H new ATOM 715 N GLY A 131 10.738 -4.063 -5.150 1.00 0.00 N ATOM 716 CA GLY A 131 10.079 -5.117 -5.893 1.00 0.00 C ATOM 717 C GLY A 131 9.288 -6.036 -4.987 1.00 0.00 C ATOM 718 O GLY A 131 8.676 -6.996 -5.446 1.00 0.00 O ATOM 0 H GLY A 131 10.170 -3.232 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.413 -4.676 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.824 -5.697 -6.438 1.00 0.00 H new ATOM 722 N ASN A 132 9.298 -5.740 -3.701 1.00 0.00 N ATOM 723 CA ASN A 132 8.554 -6.539 -2.719 1.00 0.00 C ATOM 724 C ASN A 132 7.092 -6.263 -2.840 1.00 0.00 C ATOM 725 O ASN A 132 6.699 -5.170 -3.217 1.00 0.00 O ATOM 726 CB ASN A 132 8.951 -6.207 -1.288 1.00 0.00 C ATOM 727 CG ASN A 132 10.230 -6.831 -0.786 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.168 -7.121 -1.532 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.287 -6.997 0.499 1.00 0.00 N ATOM 0 H ASN A 132 9.811 -4.953 -3.302 1.00 0.00 H new ATOM 0 HA ASN A 132 8.787 -7.583 -2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.042 -5.124 -1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.139 -6.513 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.130 -7.380 0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.489 -6.744 1.082 1.00 0.00 H new ATOM 736 N ARG A 133 6.293 -7.216 -2.485 1.00 0.00 N ATOM 737 CA ARG A 133 4.872 -7.049 -2.536 1.00 0.00 C ATOM 738 C ARG A 133 4.217 -7.637 -1.309 1.00 0.00 C ATOM 739 O ARG A 133 4.574 -8.734 -0.866 1.00 0.00 O ATOM 740 CB ARG A 133 4.296 -7.588 -3.865 1.00 0.00 C ATOM 741 CG ARG A 133 4.623 -9.030 -4.221 1.00 0.00 C ATOM 742 CD ARG A 133 3.678 -10.043 -3.601 1.00 0.00 C ATOM 743 NE ARG A 133 4.027 -11.396 -4.039 1.00 0.00 N ATOM 744 CZ ARG A 133 3.548 -12.532 -3.534 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.657 -12.517 -2.542 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.965 -13.682 -4.027 1.00 0.00 N ATOM 0 H ARG A 133 6.602 -8.129 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 133 4.640 -5.984 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.211 -7.484 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.653 -6.950 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.600 -9.141 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.641 -9.252 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.729 -9.981 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.651 -9.815 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 133 4.699 -11.476 -4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.334 -11.628 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.299 -13.394 -2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.646 -13.694 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.606 -14.559 -3.649 1.00 0.00 H new ATOM 760 N GLU A 134 3.294 -6.912 -0.761 1.00 0.00 N ATOM 761 CA GLU A 134 2.598 -7.325 0.433 1.00 0.00 C ATOM 762 C GLU A 134 1.224 -6.707 0.426 1.00 0.00 C ATOM 763 O GLU A 134 0.970 -5.772 -0.340 1.00 0.00 O ATOM 764 CB GLU A 134 3.336 -6.992 1.734 1.00 0.00 C ATOM 765 CG GLU A 134 3.123 -5.608 2.234 1.00 0.00 C ATOM 766 CD GLU A 134 3.655 -5.399 3.629 1.00 0.00 C ATOM 767 OE1 GLU A 134 2.948 -5.741 4.590 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.766 -4.873 3.795 1.00 0.00 O ATOM 0 H GLU A 134 2.994 -6.008 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 134 2.536 -8.413 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.020 -7.695 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.404 -7.147 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.607 -4.904 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.057 -5.382 2.220 1.00 0.00 H new ATOM 775 N GLU A 135 0.335 -7.275 1.179 1.00 0.00 N ATOM 776 CA GLU A 135 -1.014 -6.829 1.213 1.00 0.00 C ATOM 777 C GLU A 135 -1.236 -5.819 2.356 1.00 0.00 C ATOM 778 O GLU A 135 -0.857 -6.044 3.521 1.00 0.00 O ATOM 779 CB GLU A 135 -1.930 -8.012 1.377 1.00 0.00 C ATOM 780 CG GLU A 135 -3.351 -7.724 0.973 1.00 0.00 C ATOM 781 CD GLU A 135 -4.268 -8.914 1.075 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.892 -9.114 2.141 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.433 -9.634 0.081 1.00 0.00 O ATOM 0 H GLU A 135 0.531 -8.067 1.791 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.237 -6.324 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.551 -8.842 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.914 -8.334 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.741 -6.922 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.359 -7.358 -0.054 1.00 0.00 H new ATOM 790 N GLN A 136 -1.858 -4.748 2.004 1.00 0.00 N ATOM 791 CA GLN A 136 -2.177 -3.629 2.877 1.00 0.00 C ATOM 792 C GLN A 136 -3.635 -3.385 2.859 1.00 0.00 C ATOM 793 O GLN A 136 -4.335 -3.871 1.993 1.00 0.00 O ATOM 794 CB GLN A 136 -1.529 -2.330 2.435 1.00 0.00 C ATOM 795 CG GLN A 136 -0.206 -1.970 3.050 1.00 0.00 C ATOM 796 CD GLN A 136 0.902 -2.875 2.652 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.856 -3.497 1.622 1.00 0.00 O ATOM 798 NE2 GLN A 136 1.944 -2.873 3.407 1.00 0.00 N ATOM 0 H GLN A 136 -2.184 -4.603 1.048 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.806 -3.904 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.397 -2.371 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.227 -1.519 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.051 -0.949 2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.304 -1.985 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 136 1.946 -2.334 4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.768 -3.411 3.140 1.00 0.00 H new ATOM 807 N ASN A 137 -4.090 -2.634 3.797 1.00 0.00 N ATOM 808 CA ASN A 137 -5.479 -2.264 3.846 1.00 0.00 C ATOM 809 C ASN A 137 -5.643 -0.989 3.063 1.00 0.00 C ATOM 810 O ASN A 137 -4.778 -0.119 3.118 1.00 0.00 O ATOM 811 CB ASN A 137 -5.966 -2.053 5.284 1.00 0.00 C ATOM 812 CG ASN A 137 -5.790 -3.268 6.158 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.664 -4.130 6.225 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.679 -3.350 6.840 1.00 0.00 N ATOM 0 H ASN A 137 -3.522 -2.254 4.554 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.076 -3.070 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.424 -1.216 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.020 -1.777 5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.515 -4.148 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.976 -2.616 6.759 1.00 0.00 H new ATOM 821 N LEU A 138 -6.739 -0.870 2.364 1.00 0.00 N ATOM 822 CA LEU A 138 -7.042 0.300 1.524 1.00 0.00 C ATOM 823 C LEU A 138 -7.056 1.578 2.363 1.00 0.00 C ATOM 824 O LEU A 138 -6.600 2.628 1.932 1.00 0.00 O ATOM 825 CB LEU A 138 -8.421 0.111 0.865 1.00 0.00 C ATOM 826 CG LEU A 138 -8.558 -1.076 -0.087 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.021 -1.344 -0.406 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.795 -0.805 -1.365 1.00 0.00 C ATOM 0 H LEU A 138 -7.469 -1.583 2.349 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.270 0.390 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.166 0.005 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.666 1.020 0.316 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.142 -1.958 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.096 -2.193 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.559 -1.568 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.458 -0.463 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.898 -1.656 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.195 0.088 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.741 -0.651 -1.134 1.00 0.00 H new ATOM 840 N SER A 139 -7.544 1.452 3.570 1.00 0.00 N ATOM 841 CA SER A 139 -7.681 2.564 4.468 1.00 0.00 C ATOM 842 C SER A 139 -6.336 2.894 5.121 1.00 0.00 C ATOM 843 O SER A 139 -6.140 3.986 5.646 1.00 0.00 O ATOM 844 CB SER A 139 -8.712 2.204 5.535 1.00 0.00 C ATOM 845 OG SER A 139 -9.312 3.358 6.090 1.00 0.00 O ATOM 0 H SER A 139 -7.860 0.564 3.959 1.00 0.00 H new ATOM 0 HA SER A 139 -8.011 3.443 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.482 1.568 5.098 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.232 1.627 6.325 1.00 0.00 H new ATOM 0 HG SER A 139 -9.798 3.842 5.391 1.00 0.00 H new ATOM 851 N ASP A 140 -5.410 1.957 5.044 1.00 0.00 N ATOM 852 CA ASP A 140 -4.106 2.115 5.692 1.00 0.00 C ATOM 853 C ASP A 140 -3.157 2.772 4.756 1.00 0.00 C ATOM 854 O ASP A 140 -2.223 3.409 5.173 1.00 0.00 O ATOM 855 CB ASP A 140 -3.545 0.770 6.091 1.00 0.00 C ATOM 856 CG ASP A 140 -2.550 0.852 7.245 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.348 1.011 7.019 1.00 0.00 O ATOM 858 OD2 ASP A 140 -2.970 0.717 8.415 1.00 0.00 O ATOM 0 H ASP A 140 -5.529 1.077 4.542 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.238 2.728 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.366 0.111 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.055 0.318 5.229 1.00 0.00 H new ATOM 863 N LEU A 141 -3.396 2.564 3.479 1.00 0.00 N ATOM 864 CA LEU A 141 -2.585 3.165 2.411 1.00 0.00 C ATOM 865 C LEU A 141 -2.510 4.669 2.536 1.00 0.00 C ATOM 866 O LEU A 141 -3.533 5.356 2.737 1.00 0.00 O ATOM 867 CB LEU A 141 -3.113 2.842 1.026 1.00 0.00 C ATOM 868 CG LEU A 141 -3.127 1.400 0.583 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.573 1.328 -0.860 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.765 0.784 0.736 1.00 0.00 C ATOM 0 H LEU A 141 -4.156 1.975 3.139 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.593 2.729 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.134 3.219 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.521 3.405 0.305 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.823 0.842 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.585 0.288 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.574 1.749 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.882 1.895 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.797 -0.256 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.047 1.333 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.461 0.828 1.782 1.00 0.00 H new ATOM 882 N LEU A 142 -1.323 5.176 2.380 1.00 0.00 N ATOM 883 CA LEU A 142 -1.071 6.583 2.504 1.00 0.00 C ATOM 884 C LEU A 142 -0.758 7.159 1.147 1.00 0.00 C ATOM 885 O LEU A 142 -0.502 6.407 0.196 1.00 0.00 O ATOM 886 CB LEU A 142 0.095 6.884 3.468 1.00 0.00 C ATOM 887 CG LEU A 142 -0.026 6.361 4.908 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.341 4.883 5.014 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.783 7.216 5.873 1.00 0.00 C ATOM 0 H LEU A 142 -0.495 4.621 2.161 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.969 7.043 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.006 6.471 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.225 7.965 3.512 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.074 6.442 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.241 4.557 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.326 4.296 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.371 4.739 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.678 6.822 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.834 7.197 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.417 8.242 5.844 1.00 0.00 H new ATOM 901 N SER A 143 -0.767 8.472 1.066 1.00 0.00 N ATOM 902 CA SER A 143 -0.470 9.192 -0.152 1.00 0.00 C ATOM 903 C SER A 143 0.981 8.881 -0.567 1.00 0.00 C ATOM 904 O SER A 143 1.848 8.712 0.295 1.00 0.00 O ATOM 905 CB SER A 143 -0.664 10.708 0.102 1.00 0.00 C ATOM 906 OG SER A 143 -0.446 11.489 -1.064 1.00 0.00 O ATOM 0 H SER A 143 -0.984 9.078 1.857 1.00 0.00 H new ATOM 0 HA SER A 143 -1.138 8.887 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.675 10.885 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 143 0.021 11.032 0.885 1.00 0.00 H new ATOM 0 HG SER A 143 -0.582 12.436 -0.853 1.00 0.00 H new ATOM 912 N PRO A 144 1.250 8.755 -1.876 1.00 0.00 N ATOM 913 CA PRO A 144 2.582 8.406 -2.401 1.00 0.00 C ATOM 914 C PRO A 144 3.636 9.479 -2.160 1.00 0.00 C ATOM 915 O PRO A 144 3.375 10.530 -1.554 1.00 0.00 O ATOM 916 CB PRO A 144 2.340 8.267 -3.905 1.00 0.00 C ATOM 917 CG PRO A 144 1.147 9.114 -4.170 1.00 0.00 C ATOM 918 CD PRO A 144 0.274 8.953 -2.968 1.00 0.00 C ATOM 0 HA PRO A 144 2.970 7.514 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 144 3.203 8.606 -4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.160 7.229 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 144 1.429 10.157 -4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 144 0.632 8.795 -5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.348 9.832 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.399 8.101 -3.068 1.00 0.00 H new ATOM 926 N ILE A 145 4.809 9.213 -2.655 1.00 0.00 N ATOM 927 CA ILE A 145 5.915 10.118 -2.544 1.00 0.00 C ATOM 928 C ILE A 145 5.875 11.119 -3.696 1.00 0.00 C ATOM 929 O ILE A 145 5.060 10.989 -4.620 1.00 0.00 O ATOM 930 CB ILE A 145 7.268 9.363 -2.545 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.369 8.434 -3.763 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.438 8.584 -1.247 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.721 7.781 -3.949 1.00 0.00 C ATOM 0 H ILE A 145 5.027 8.350 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 145 5.829 10.646 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 145 8.075 10.093 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.613 7.654 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.130 9.006 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.393 8.058 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.416 9.274 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.627 7.862 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.699 7.143 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.482 8.551 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.957 7.178 -3.072 1.00 0.00 H new ATOM 945 N CYS A 146 6.764 12.075 -3.677 1.00 0.00 N ATOM 946 CA CYS A 146 6.809 13.126 -4.684 1.00 0.00 C ATOM 947 C CYS A 146 7.676 12.726 -5.866 1.00 0.00 C ATOM 948 O CYS A 146 8.414 13.531 -6.450 1.00 0.00 O ATOM 949 CB CYS A 146 7.331 14.376 -4.072 1.00 0.00 C ATOM 950 SG CYS A 146 6.382 14.967 -2.647 1.00 0.00 S ATOM 0 H CYS A 146 7.487 12.156 -2.962 1.00 0.00 H new ATOM 0 HA CYS A 146 5.797 13.290 -5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 146 8.363 14.211 -3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 146 7.348 15.158 -4.831 1.00 0.00 H new ATOM 0 HG CYS A 146 6.921 16.058 -2.189 1.00 0.00 H new ATOM 956 N GLU A 147 7.507 11.541 -6.234 1.00 0.00 N ATOM 957 CA GLU A 147 8.205 10.907 -7.331 1.00 0.00 C ATOM 958 C GLU A 147 7.200 10.183 -8.196 1.00 0.00 C ATOM 959 O GLU A 147 6.934 10.639 -9.322 1.00 0.00 O ATOM 960 CB GLU A 147 9.289 9.943 -6.837 1.00 0.00 C ATOM 961 CG GLU A 147 10.449 10.618 -6.117 1.00 0.00 C ATOM 962 CD GLU A 147 11.500 9.639 -5.665 1.00 0.00 C ATOM 963 OE1 GLU A 147 12.132 8.991 -6.522 1.00 0.00 O ATOM 964 OE2 GLU A 147 11.707 9.491 -4.447 1.00 0.00 O ATOM 965 OXT GLU A 147 6.588 9.204 -7.718 1.00 0.00 O ATOM 0 H GLU A 147 6.845 10.917 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 147 8.711 11.676 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 147 8.833 9.216 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 147 9.680 9.387 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 147 10.904 11.354 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.068 11.161 -5.252 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.729 -1.521 1.890 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.035 -3.692 0.717 1.00 0.00 C HETATM 975 N DA2 A1148 13.811 -8.009 -0.983 1.00 0.00 N HETATM 976 CA DA2 A1148 14.310 -7.470 0.267 1.00 0.00 C HETATM 977 CB DA2 A1148 13.987 -5.969 0.368 1.00 0.00 C HETATM 978 CG DA2 A1148 14.301 -5.342 1.721 1.00 0.00 C HETATM 979 CD DA2 A1148 13.978 -3.864 1.732 1.00 0.00 C HETATM 980 NE DA2 A1148 12.568 -3.649 1.465 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.838 -2.625 1.847 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.335 -1.640 2.544 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.586 -2.610 1.506 1.00 0.00 N HETATM 984 C DA2 A1148 13.660 -8.232 1.385 1.00 0.00 C HETATM 985 O DA2 A1148 14.362 -8.857 2.184 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.430 -8.279 1.422 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.226 -1.838 3.539 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.729 -5.847 2.499 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.356 -5.487 1.955 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.240 -3.436 2.699 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.579 -3.349 0.982 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.546 -5.438 -0.402 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 12.929 -5.823 0.152 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.221 -4.165 1.267 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.655 -3.298 -0.226 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.813 -4.428 0.515 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.336 -1.035 0.997 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.902 -1.902 2.489 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.298 -0.799 2.475 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.092 -4.370 0.923 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 13.946 -8.996 -1.203 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.325 -7.401 -1.643 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.393 -7.575 0.324 1.00 0.00 H new