USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 74 CYS SG : rot 120:sc= -1.38 USER MOD Set 1.2: A 76 SER OG : rot 180:sc= -0.028 USER MOD Set 1.3: A 79 HIS : no HD1:sc= -0.596 K(o=-2,f=-3.2) USER MOD Set 2.1: A 45 TYR OH : rot 33:sc= 0.0293 USER MOD Set 2.2: A 47 SER OG : rot -110:sc= -0.0946 USER MOD Set 2.3: A 52 ASN : amide:sc= -0.826 K(o=-0.89,f=-3.4!) USER MOD Set 3.1: A 23 HIS : no HD1:sc= -3.42! K(o=-3.4!,f=-4.6) USER MOD Set 3.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0837 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 22:sc= 0.892 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0255) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.19! C(o=-1.2!,f=-1.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0.00901 (180deg=0.00898) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0516 K(o=-0.052,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= -0.255 (180deg=-1.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0.097 (180deg=0.0393) USER MOD Single : A 42 GLN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.6!) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0109) USER MOD Single : A 61 THR OG1 : rot -94:sc= 1.26 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= -1.62 (180deg=-1.66) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -55:sc= 0.589 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00181) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.569 9.411 3.797 1.00 0.00 N ATOM 2 CA GLY A 1 30.836 10.228 4.747 1.00 0.00 C ATOM 3 C GLY A 1 29.337 10.164 4.530 1.00 0.00 C ATOM 4 O GLY A 1 28.848 9.332 3.766 1.00 0.00 O ATOM 0 H1 GLY A 1 32.131 8.702 4.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.899 8.930 3.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.203 10.015 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.068 9.899 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.168 11.263 4.664 1.00 0.00 H new ATOM 8 N SER A 2 28.605 11.044 5.206 1.00 0.00 N ATOM 9 CA SER A 2 27.152 11.081 5.088 1.00 0.00 C ATOM 10 C SER A 2 26.659 12.511 4.889 1.00 0.00 C ATOM 11 O SER A 2 27.412 13.469 5.065 1.00 0.00 O ATOM 12 CB SER A 2 26.503 10.474 6.333 1.00 0.00 C ATOM 13 OG SER A 2 25.198 9.999 6.048 1.00 0.00 O ATOM 0 H SER A 2 28.994 11.741 5.841 1.00 0.00 H new ATOM 0 HA SER A 2 26.868 10.493 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.118 9.655 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.456 11.222 7.124 1.00 0.00 H new ATOM 0 HG SER A 2 24.805 9.614 6.859 1.00 0.00 H new ATOM 19 N SER A 3 25.389 12.647 4.520 1.00 0.00 N ATOM 20 CA SER A 3 24.795 13.959 4.293 1.00 0.00 C ATOM 21 C SER A 3 23.492 14.107 5.073 1.00 0.00 C ATOM 22 O SER A 3 23.326 15.043 5.854 1.00 0.00 O ATOM 23 CB SER A 3 24.537 14.174 2.801 1.00 0.00 C ATOM 24 OG SER A 3 23.781 13.106 2.255 1.00 0.00 O ATOM 0 H SER A 3 24.752 11.864 4.372 1.00 0.00 H new ATOM 0 HA SER A 3 25.497 14.715 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.005 15.114 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.487 14.259 2.273 1.00 0.00 H new ATOM 0 HG SER A 3 23.628 13.268 1.301 1.00 0.00 H new ATOM 30 N GLY A 4 22.569 13.176 4.854 1.00 0.00 N ATOM 31 CA GLY A 4 21.292 13.221 5.542 1.00 0.00 C ATOM 32 C GLY A 4 20.188 13.800 4.680 1.00 0.00 C ATOM 33 O GLY A 4 20.285 13.800 3.453 1.00 0.00 O ATOM 0 H GLY A 4 22.683 12.391 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.015 12.214 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.392 13.818 6.448 1.00 0.00 H new ATOM 37 N SER A 5 19.134 14.294 5.322 1.00 0.00 N ATOM 38 CA SER A 5 18.005 14.874 4.606 1.00 0.00 C ATOM 39 C SER A 5 17.020 15.519 5.576 1.00 0.00 C ATOM 40 O SER A 5 17.160 15.398 6.793 1.00 0.00 O ATOM 41 CB SER A 5 17.294 13.802 3.777 1.00 0.00 C ATOM 42 OG SER A 5 16.643 12.861 4.612 1.00 0.00 O ATOM 0 H SER A 5 19.039 14.304 6.338 1.00 0.00 H new ATOM 0 HA SER A 5 18.388 15.645 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.565 14.272 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.017 13.290 3.141 1.00 0.00 H new ATOM 0 HG SER A 5 16.195 12.188 4.059 1.00 0.00 H new ATOM 48 N SER A 6 16.022 16.206 5.027 1.00 0.00 N ATOM 49 CA SER A 6 15.015 16.874 5.843 1.00 0.00 C ATOM 50 C SER A 6 13.754 17.150 5.030 1.00 0.00 C ATOM 51 O SER A 6 13.789 17.185 3.801 1.00 0.00 O ATOM 52 CB SER A 6 15.570 18.184 6.404 1.00 0.00 C ATOM 53 OG SER A 6 16.365 17.950 7.554 1.00 0.00 O ATOM 0 H SER A 6 15.890 16.314 4.021 1.00 0.00 H new ATOM 0 HA SER A 6 14.756 16.213 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.166 18.686 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.747 18.853 6.657 1.00 0.00 H new ATOM 0 HG SER A 6 16.675 17.020 7.554 1.00 0.00 H new ATOM 59 N GLY A 7 12.638 17.345 5.727 1.00 0.00 N ATOM 60 CA GLY A 7 11.381 17.615 5.055 1.00 0.00 C ATOM 61 C GLY A 7 10.360 18.258 5.972 1.00 0.00 C ATOM 62 O GLY A 7 10.182 17.831 7.113 1.00 0.00 O ATOM 0 H GLY A 7 12.583 17.321 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.562 18.269 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.975 16.683 4.661 1.00 0.00 H new ATOM 66 N LYS A 8 9.686 19.289 5.474 1.00 0.00 N ATOM 67 CA LYS A 8 8.677 19.994 6.256 1.00 0.00 C ATOM 68 C LYS A 8 7.512 19.071 6.599 1.00 0.00 C ATOM 69 O LYS A 8 7.526 17.887 6.262 1.00 0.00 O ATOM 70 CB LYS A 8 8.166 21.213 5.486 1.00 0.00 C ATOM 71 CG LYS A 8 7.146 20.872 4.413 1.00 0.00 C ATOM 72 CD LYS A 8 7.819 20.389 3.139 1.00 0.00 C ATOM 73 CE LYS A 8 7.963 18.875 3.123 1.00 0.00 C ATOM 74 NZ LYS A 8 9.159 18.440 2.350 1.00 0.00 N ATOM 0 H LYS A 8 9.820 19.655 4.532 1.00 0.00 H new ATOM 0 HA LYS A 8 9.140 20.327 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.719 21.916 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.012 21.720 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.470 20.101 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.539 21.750 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.237 20.709 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.803 20.850 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.038 18.506 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.068 18.430 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.310 17.420 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.009 18.634 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.995 18.961 2.682 1.00 0.00 H new ATOM 88 N ILE A 9 6.505 19.621 7.270 1.00 0.00 N ATOM 89 CA ILE A 9 5.332 18.846 7.656 1.00 0.00 C ATOM 90 C ILE A 9 4.053 19.656 7.467 1.00 0.00 C ATOM 91 O ILE A 9 4.033 20.866 7.692 1.00 0.00 O ATOM 92 CB ILE A 9 5.421 18.382 9.122 1.00 0.00 C ATOM 93 CG1 ILE A 9 6.700 17.573 9.346 1.00 0.00 C ATOM 94 CG2 ILE A 9 4.196 17.560 9.492 1.00 0.00 C ATOM 95 CD1 ILE A 9 6.976 17.270 10.802 1.00 0.00 C ATOM 0 H ILE A 9 6.478 20.599 7.557 1.00 0.00 H new ATOM 0 HA ILE A 9 5.304 17.970 7.008 1.00 0.00 H new ATOM 0 HB ILE A 9 5.452 19.261 9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.628 16.635 8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.545 18.122 8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.273 17.239 10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.299 18.166 9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.136 16.685 8.845 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.898 16.694 10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.080 18.204 11.355 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.149 16.693 11.217 1.00 0.00 H new ATOM 107 N PHE A 10 2.987 18.979 7.055 1.00 0.00 N ATOM 108 CA PHE A 10 1.703 19.634 6.837 1.00 0.00 C ATOM 109 C PHE A 10 0.685 19.200 7.888 1.00 0.00 C ATOM 110 O PHE A 10 0.266 18.043 7.924 1.00 0.00 O ATOM 111 CB PHE A 10 1.174 19.315 5.437 1.00 0.00 C ATOM 112 CG PHE A 10 2.042 19.847 4.333 1.00 0.00 C ATOM 113 CD1 PHE A 10 1.970 21.179 3.958 1.00 0.00 C ATOM 114 CD2 PHE A 10 2.931 19.016 3.671 1.00 0.00 C ATOM 115 CE1 PHE A 10 2.768 21.671 2.942 1.00 0.00 C ATOM 116 CE2 PHE A 10 3.731 19.502 2.654 1.00 0.00 C ATOM 117 CZ PHE A 10 3.650 20.832 2.290 1.00 0.00 C ATOM 0 H PHE A 10 2.987 17.977 6.865 1.00 0.00 H new ATOM 0 HA PHE A 10 1.854 20.710 6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.084 18.234 5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.172 19.730 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.283 21.840 4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.000 17.976 3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.702 22.711 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.418 18.843 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.275 21.215 1.497 1.00 0.00 H new ATOM 127 N THR A 11 0.291 20.138 8.745 1.00 0.00 N ATOM 128 CA THR A 11 -0.675 19.853 9.798 1.00 0.00 C ATOM 129 C THR A 11 -2.015 20.522 9.511 1.00 0.00 C ATOM 130 O THR A 11 -2.082 21.733 9.297 1.00 0.00 O ATOM 131 CB THR A 11 -0.164 20.325 11.172 1.00 0.00 C ATOM 132 OG1 THR A 11 1.158 19.823 11.401 1.00 0.00 O ATOM 133 CG2 THR A 11 -1.089 19.856 12.284 1.00 0.00 C ATOM 0 H THR A 11 0.626 21.101 8.730 1.00 0.00 H new ATOM 0 HA THR A 11 -0.808 18.771 9.819 1.00 0.00 H new ATOM 0 HB THR A 11 -0.144 21.415 11.173 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.477 20.129 12.276 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.707 20.202 13.245 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.087 20.263 12.123 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.136 18.767 12.283 1.00 0.00 H new ATOM 141 N CYS A 12 -3.079 19.727 9.507 1.00 0.00 N ATOM 142 CA CYS A 12 -4.418 20.242 9.246 1.00 0.00 C ATOM 143 C CYS A 12 -4.896 21.123 10.396 1.00 0.00 C ATOM 144 O CYS A 12 -4.877 20.711 11.556 1.00 0.00 O ATOM 145 CB CYS A 12 -5.399 19.087 9.033 1.00 0.00 C ATOM 146 SG CYS A 12 -7.006 19.594 8.341 1.00 0.00 S ATOM 0 H CYS A 12 -3.040 18.723 9.682 1.00 0.00 H new ATOM 0 HA CYS A 12 -4.377 20.847 8.340 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.943 18.355 8.366 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.568 18.587 9.987 1.00 0.00 H new ATOM 151 N GLU A 13 -5.323 22.338 10.066 1.00 0.00 N ATOM 152 CA GLU A 13 -5.805 23.277 11.071 1.00 0.00 C ATOM 153 C GLU A 13 -7.317 23.159 11.247 1.00 0.00 C ATOM 154 O GLU A 13 -7.985 24.119 11.629 1.00 0.00 O ATOM 155 CB GLU A 13 -5.437 24.710 10.681 1.00 0.00 C ATOM 156 CG GLU A 13 -6.019 25.146 9.347 1.00 0.00 C ATOM 157 CD GLU A 13 -5.171 24.709 8.169 1.00 0.00 C ATOM 158 OE1 GLU A 13 -4.078 25.283 7.979 1.00 0.00 O ATOM 159 OE2 GLU A 13 -5.600 23.793 7.437 1.00 0.00 O ATOM 0 H GLU A 13 -5.345 22.695 9.111 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.326 23.031 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.784 25.390 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.351 24.799 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.022 24.733 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.118 26.231 9.336 1.00 0.00 H new ATOM 166 N TYR A 14 -7.848 21.975 10.964 1.00 0.00 N ATOM 167 CA TYR A 14 -9.280 21.730 11.087 1.00 0.00 C ATOM 168 C TYR A 14 -9.555 20.576 12.046 1.00 0.00 C ATOM 169 O TYR A 14 -10.514 20.610 12.818 1.00 0.00 O ATOM 170 CB TYR A 14 -9.886 21.425 9.716 1.00 0.00 C ATOM 171 CG TYR A 14 -9.850 22.598 8.763 1.00 0.00 C ATOM 172 CD1 TYR A 14 -8.658 23.002 8.173 1.00 0.00 C ATOM 173 CD2 TYR A 14 -11.006 23.303 8.452 1.00 0.00 C ATOM 174 CE1 TYR A 14 -8.620 24.074 7.302 1.00 0.00 C ATOM 175 CE2 TYR A 14 -10.977 24.374 7.581 1.00 0.00 C ATOM 176 CZ TYR A 14 -9.782 24.756 7.009 1.00 0.00 C ATOM 177 OH TYR A 14 -9.749 25.824 6.142 1.00 0.00 O ATOM 0 H TYR A 14 -7.308 21.169 10.648 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.744 22.631 11.489 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.349 20.588 9.269 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.920 21.107 9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.746 22.469 8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.944 23.008 8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.685 24.376 6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.886 24.910 7.349 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.652 26.193 6.043 1.00 0.00 H new ATOM 187 N CYS A 15 -8.707 19.555 11.991 1.00 0.00 N ATOM 188 CA CYS A 15 -8.856 18.389 12.854 1.00 0.00 C ATOM 189 C CYS A 15 -7.527 18.024 13.509 1.00 0.00 C ATOM 190 O CYS A 15 -7.328 16.889 13.941 1.00 0.00 O ATOM 191 CB CYS A 15 -9.386 17.200 12.051 1.00 0.00 C ATOM 192 SG CYS A 15 -8.358 16.754 10.615 1.00 0.00 S ATOM 0 H CYS A 15 -7.909 19.511 11.357 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.571 18.637 13.639 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.464 16.336 12.711 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.394 17.429 11.705 1.00 0.00 H new ATOM 197 N ASN A 16 -6.621 18.993 13.577 1.00 0.00 N ATOM 198 CA ASN A 16 -5.311 18.774 14.179 1.00 0.00 C ATOM 199 C ASN A 16 -4.682 17.485 13.659 1.00 0.00 C ATOM 200 O ASN A 16 -4.205 16.656 14.434 1.00 0.00 O ATOM 201 CB ASN A 16 -5.429 18.717 15.703 1.00 0.00 C ATOM 202 CG ASN A 16 -4.125 18.326 16.371 1.00 0.00 C ATOM 203 OD1 ASN A 16 -3.114 19.014 16.234 1.00 0.00 O ATOM 204 ND2 ASN A 16 -4.143 17.215 17.098 1.00 0.00 N ATOM 0 H ASN A 16 -6.770 19.938 13.223 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.668 19.610 13.902 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.747 19.690 16.076 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.204 18.001 15.978 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.295 16.901 17.571 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.004 16.676 17.184 1.00 0.00 H new ATOM 211 N LYS A 17 -4.685 17.322 12.340 1.00 0.00 N ATOM 212 CA LYS A 17 -4.114 16.135 11.713 1.00 0.00 C ATOM 213 C LYS A 17 -2.767 16.453 11.074 1.00 0.00 C ATOM 214 O LYS A 17 -2.378 17.616 10.967 1.00 0.00 O ATOM 215 CB LYS A 17 -5.073 15.579 10.659 1.00 0.00 C ATOM 216 CG LYS A 17 -6.043 14.545 11.204 1.00 0.00 C ATOM 217 CD LYS A 17 -6.760 13.808 10.084 1.00 0.00 C ATOM 218 CE LYS A 17 -7.125 12.390 10.496 1.00 0.00 C ATOM 219 NZ LYS A 17 -8.330 11.896 9.773 1.00 0.00 N ATOM 0 H LYS A 17 -5.077 17.998 11.684 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.960 15.383 12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.639 16.403 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.493 15.131 9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.503 13.830 11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.775 15.035 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.663 14.352 9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.123 13.779 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.284 11.726 10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.308 12.359 11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.547 10.927 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.139 12.515 9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.147 11.901 8.749 1.00 0.00 H new ATOM 233 N VAL A 18 -2.059 15.412 10.648 1.00 0.00 N ATOM 234 CA VAL A 18 -0.756 15.580 10.016 1.00 0.00 C ATOM 235 C VAL A 18 -0.635 14.716 8.766 1.00 0.00 C ATOM 236 O VAL A 18 -0.994 13.538 8.775 1.00 0.00 O ATOM 237 CB VAL A 18 0.388 15.225 10.984 1.00 0.00 C ATOM 238 CG1 VAL A 18 1.739 15.465 10.327 1.00 0.00 C ATOM 239 CG2 VAL A 18 0.263 16.025 12.272 1.00 0.00 C ATOM 0 H VAL A 18 -2.366 14.443 10.729 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.674 16.631 9.737 1.00 0.00 H new ATOM 0 HB VAL A 18 0.315 14.166 11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.535 15.208 11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.826 14.844 9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.826 16.515 10.048 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.079 15.762 12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.309 17.090 12.045 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.689 15.797 12.751 1.00 0.00 H new ATOM 249 N PHE A 19 -0.127 15.309 7.690 1.00 0.00 N ATOM 250 CA PHE A 19 0.040 14.593 6.431 1.00 0.00 C ATOM 251 C PHE A 19 1.450 14.786 5.879 1.00 0.00 C ATOM 252 O PHE A 19 1.918 15.914 5.720 1.00 0.00 O ATOM 253 CB PHE A 19 -0.990 15.072 5.406 1.00 0.00 C ATOM 254 CG PHE A 19 -2.412 14.878 5.850 1.00 0.00 C ATOM 255 CD1 PHE A 19 -2.971 15.705 6.811 1.00 0.00 C ATOM 256 CD2 PHE A 19 -3.189 13.868 5.307 1.00 0.00 C ATOM 257 CE1 PHE A 19 -4.279 15.530 7.222 1.00 0.00 C ATOM 258 CE2 PHE A 19 -4.498 13.688 5.714 1.00 0.00 C ATOM 259 CZ PHE A 19 -5.043 14.519 6.673 1.00 0.00 C ATOM 0 H PHE A 19 0.176 16.283 7.665 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.115 13.531 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.823 16.129 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.834 14.537 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.377 16.496 7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.768 13.214 4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.703 16.183 7.971 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.094 12.898 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.065 14.378 6.993 1.00 0.00 H new ATOM 269 N LYS A 20 2.122 13.678 5.589 1.00 0.00 N ATOM 270 CA LYS A 20 3.478 13.722 5.054 1.00 0.00 C ATOM 271 C LYS A 20 3.527 14.530 3.761 1.00 0.00 C ATOM 272 O LYS A 20 4.371 15.412 3.601 1.00 0.00 O ATOM 273 CB LYS A 20 3.995 12.304 4.801 1.00 0.00 C ATOM 274 CG LYS A 20 5.500 12.231 4.609 1.00 0.00 C ATOM 275 CD LYS A 20 5.911 12.726 3.232 1.00 0.00 C ATOM 276 CE LYS A 20 7.321 12.279 2.877 1.00 0.00 C ATOM 277 NZ LYS A 20 7.882 13.064 1.743 1.00 0.00 N ATOM 0 H LYS A 20 1.750 12.737 5.715 1.00 0.00 H new ATOM 0 HA LYS A 20 4.117 14.209 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.713 11.668 5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.504 11.900 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.995 12.829 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.835 11.202 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.211 12.351 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.855 13.814 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.967 12.387 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.312 11.221 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.837 12.718 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.271 12.954 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.930 14.069 2.007 1.00 0.00 H new ATOM 291 N PHE A 21 2.617 14.225 2.843 1.00 0.00 N ATOM 292 CA PHE A 21 2.556 14.923 1.564 1.00 0.00 C ATOM 293 C PHE A 21 1.494 16.019 1.593 1.00 0.00 C ATOM 294 O PHE A 21 0.549 15.963 2.380 1.00 0.00 O ATOM 295 CB PHE A 21 2.257 13.937 0.434 1.00 0.00 C ATOM 296 CG PHE A 21 3.288 12.854 0.295 1.00 0.00 C ATOM 297 CD1 PHE A 21 3.181 11.680 1.023 1.00 0.00 C ATOM 298 CD2 PHE A 21 4.365 13.010 -0.563 1.00 0.00 C ATOM 299 CE1 PHE A 21 4.128 10.680 0.897 1.00 0.00 C ATOM 300 CE2 PHE A 21 5.314 12.014 -0.694 1.00 0.00 C ATOM 301 CZ PHE A 21 5.197 10.849 0.038 1.00 0.00 C ATOM 0 H PHE A 21 1.911 13.498 2.961 1.00 0.00 H new ATOM 0 HA PHE A 21 3.526 15.386 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.283 13.480 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.188 14.484 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.348 11.544 1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.464 13.920 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.032 9.769 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.147 12.147 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.940 10.071 -0.061 1.00 0.00 H new ATOM 311 N LYS A 22 1.657 17.015 0.728 1.00 0.00 N ATOM 312 CA LYS A 22 0.713 18.124 0.652 1.00 0.00 C ATOM 313 C LYS A 22 -0.581 17.692 -0.030 1.00 0.00 C ATOM 314 O LYS A 22 -1.674 17.928 0.484 1.00 0.00 O ATOM 315 CB LYS A 22 1.335 19.298 -0.107 1.00 0.00 C ATOM 316 CG LYS A 22 0.473 20.548 -0.106 1.00 0.00 C ATOM 317 CD LYS A 22 1.262 21.770 -0.545 1.00 0.00 C ATOM 318 CE LYS A 22 0.715 23.042 0.084 1.00 0.00 C ATOM 319 NZ LYS A 22 -0.581 23.450 -0.527 1.00 0.00 N ATOM 0 H LYS A 22 2.434 17.077 0.070 1.00 0.00 H new ATOM 0 HA LYS A 22 0.479 18.439 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.303 19.534 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.521 18.996 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.378 20.405 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.071 20.713 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.309 21.647 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.227 21.856 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.579 22.889 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.441 23.846 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.921 24.321 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.447 23.621 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.282 22.693 -0.393 1.00 0.00 H new ATOM 333 N HIS A 23 -0.449 17.055 -1.190 1.00 0.00 N ATOM 334 CA HIS A 23 -1.609 16.588 -1.941 1.00 0.00 C ATOM 335 C HIS A 23 -2.543 15.777 -1.049 1.00 0.00 C ATOM 336 O HIS A 23 -3.758 15.977 -1.061 1.00 0.00 O ATOM 337 CB HIS A 23 -1.163 15.743 -3.134 1.00 0.00 C ATOM 338 CG HIS A 23 -0.399 14.514 -2.746 1.00 0.00 C ATOM 339 ND1 HIS A 23 -1.002 13.297 -2.509 1.00 0.00 N ATOM 340 CD2 HIS A 23 0.927 14.319 -2.556 1.00 0.00 C ATOM 341 CE1 HIS A 23 -0.080 12.407 -2.188 1.00 0.00 C ATOM 342 NE2 HIS A 23 1.099 13.002 -2.209 1.00 0.00 N ATOM 0 H HIS A 23 0.449 16.851 -1.629 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.151 17.461 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.041 15.448 -3.709 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.543 16.354 -3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.705 15.061 -2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.260 11.369 -1.949 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.992 12.555 -2.001 1.00 0.00 H new ATOM 350 N SER A 24 -1.969 14.860 -0.277 1.00 0.00 N ATOM 351 CA SER A 24 -2.751 14.015 0.618 1.00 0.00 C ATOM 352 C SER A 24 -3.652 14.860 1.513 1.00 0.00 C ATOM 353 O SER A 24 -4.831 14.552 1.695 1.00 0.00 O ATOM 354 CB SER A 24 -1.825 13.152 1.477 1.00 0.00 C ATOM 355 OG SER A 24 -1.471 11.957 0.802 1.00 0.00 O ATOM 0 H SER A 24 -0.965 14.683 -0.253 1.00 0.00 H new ATOM 0 HA SER A 24 -3.379 13.366 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.925 13.714 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.318 12.909 2.418 1.00 0.00 H new ATOM 0 HG SER A 24 -0.878 11.423 1.371 1.00 0.00 H new ATOM 361 N LEU A 25 -3.090 15.927 2.070 1.00 0.00 N ATOM 362 CA LEU A 25 -3.841 16.818 2.947 1.00 0.00 C ATOM 363 C LEU A 25 -4.909 17.578 2.166 1.00 0.00 C ATOM 364 O LEU A 25 -6.077 17.596 2.551 1.00 0.00 O ATOM 365 CB LEU A 25 -2.896 17.805 3.634 1.00 0.00 C ATOM 366 CG LEU A 25 -3.559 18.994 4.331 1.00 0.00 C ATOM 367 CD1 LEU A 25 -4.253 18.546 5.608 1.00 0.00 C ATOM 368 CD2 LEU A 25 -2.532 20.076 4.632 1.00 0.00 C ATOM 0 H LEU A 25 -2.116 16.196 1.930 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.335 16.210 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.306 17.260 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.199 18.189 2.889 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.311 19.410 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.719 19.406 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.017 17.807 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.521 18.104 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.021 20.914 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.757 19.671 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.081 20.419 3.701 1.00 0.00 H new ATOM 380 N GLN A 26 -4.498 18.202 1.066 1.00 0.00 N ATOM 381 CA GLN A 26 -5.420 18.962 0.231 1.00 0.00 C ATOM 382 C GLN A 26 -6.742 18.220 0.065 1.00 0.00 C ATOM 383 O GLN A 26 -7.798 18.717 0.454 1.00 0.00 O ATOM 384 CB GLN A 26 -4.796 19.230 -1.140 1.00 0.00 C ATOM 385 CG GLN A 26 -3.862 20.429 -1.160 1.00 0.00 C ATOM 386 CD GLN A 26 -4.607 21.747 -1.249 1.00 0.00 C ATOM 387 OE1 GLN A 26 -5.129 22.108 -2.304 1.00 0.00 O ATOM 388 NE2 GLN A 26 -4.659 22.473 -0.139 1.00 0.00 N ATOM 0 H GLN A 26 -3.534 18.196 0.733 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.618 19.913 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.245 18.345 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.592 19.388 -1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.249 20.422 -0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.183 20.342 -2.008 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.212 22.135 0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.146 23.369 -0.138 1.00 0.00 H new ATOM 397 N ALA A 27 -6.676 17.026 -0.517 1.00 0.00 N ATOM 398 CA ALA A 27 -7.868 16.215 -0.733 1.00 0.00 C ATOM 399 C ALA A 27 -8.605 15.963 0.578 1.00 0.00 C ATOM 400 O ALA A 27 -9.836 15.967 0.620 1.00 0.00 O ATOM 401 CB ALA A 27 -7.496 14.896 -1.394 1.00 0.00 C ATOM 0 H ALA A 27 -5.810 16.600 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.537 16.765 -1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.396 14.300 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.020 15.092 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.805 14.349 -0.752 1.00 0.00 H new ATOM 407 N HIS A 28 -7.846 15.743 1.646 1.00 0.00 N ATOM 408 CA HIS A 28 -8.428 15.489 2.959 1.00 0.00 C ATOM 409 C HIS A 28 -9.269 16.676 3.419 1.00 0.00 C ATOM 410 O HIS A 28 -10.405 16.509 3.866 1.00 0.00 O ATOM 411 CB HIS A 28 -7.328 15.202 3.981 1.00 0.00 C ATOM 412 CG HIS A 28 -7.694 15.593 5.380 1.00 0.00 C ATOM 413 ND1 HIS A 28 -8.316 14.735 6.263 1.00 0.00 N ATOM 414 CD2 HIS A 28 -7.519 16.757 6.048 1.00 0.00 C ATOM 415 CE1 HIS A 28 -8.510 15.356 7.413 1.00 0.00 C ATOM 416 NE2 HIS A 28 -8.035 16.584 7.309 1.00 0.00 N ATOM 0 H HIS A 28 -6.826 15.735 1.628 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.076 14.616 2.879 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.092 14.138 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.423 15.735 3.688 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -8.584 13.772 6.060 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.059 17.655 5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.978 14.932 8.289 1.00 0.00 H new ATOM 424 N LEU A 29 -8.705 17.873 3.308 1.00 0.00 N ATOM 425 CA LEU A 29 -9.403 19.088 3.713 1.00 0.00 C ATOM 426 C LEU A 29 -10.858 19.058 3.258 1.00 0.00 C ATOM 427 O LEU A 29 -11.713 19.735 3.830 1.00 0.00 O ATOM 428 CB LEU A 29 -8.702 20.319 3.137 1.00 0.00 C ATOM 429 CG LEU A 29 -7.439 20.776 3.868 1.00 0.00 C ATOM 430 CD1 LEU A 29 -6.647 21.750 3.009 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.797 21.410 5.205 1.00 0.00 C ATOM 0 H LEU A 29 -7.766 18.029 2.941 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.383 19.142 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.442 20.112 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.412 21.146 3.129 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.816 19.902 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.752 22.064 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.359 21.263 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.262 22.622 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.886 21.729 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.441 22.273 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.320 20.682 5.824 1.00 0.00 H new ATOM 443 N ARG A 30 -11.134 18.267 2.226 1.00 0.00 N ATOM 444 CA ARG A 30 -12.486 18.148 1.694 1.00 0.00 C ATOM 445 C ARG A 30 -13.475 17.790 2.799 1.00 0.00 C ATOM 446 O ARG A 30 -14.541 18.395 2.911 1.00 0.00 O ATOM 447 CB ARG A 30 -12.531 17.089 0.591 1.00 0.00 C ATOM 448 CG ARG A 30 -11.874 17.532 -0.706 1.00 0.00 C ATOM 449 CD ARG A 30 -11.993 16.465 -1.783 1.00 0.00 C ATOM 450 NE ARG A 30 -13.352 16.368 -2.310 1.00 0.00 N ATOM 451 CZ ARG A 30 -13.665 15.705 -3.418 1.00 0.00 C ATOM 452 NH1 ARG A 30 -12.721 15.084 -4.112 1.00 0.00 N ATOM 453 NH2 ARG A 30 -14.924 15.662 -3.834 1.00 0.00 N ATOM 0 H ARG A 30 -10.439 17.699 1.742 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.771 19.113 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.038 16.184 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.570 16.828 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.338 18.455 -1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.822 17.753 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.304 16.693 -2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.694 15.501 -1.372 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.102 16.835 -1.799 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.752 15.115 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.964 14.576 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.653 16.138 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.163 15.153 -4.685 1.00 0.00 H new ATOM 467 N ILE A 31 -13.114 16.802 3.611 1.00 0.00 N ATOM 468 CA ILE A 31 -13.970 16.364 4.707 1.00 0.00 C ATOM 469 C ILE A 31 -14.519 17.555 5.486 1.00 0.00 C ATOM 470 O ILE A 31 -15.551 17.453 6.151 1.00 0.00 O ATOM 471 CB ILE A 31 -13.213 15.437 5.676 1.00 0.00 C ATOM 472 CG1 ILE A 31 -12.138 16.221 6.432 1.00 0.00 C ATOM 473 CG2 ILE A 31 -12.593 14.272 4.919 1.00 0.00 C ATOM 474 CD1 ILE A 31 -11.876 15.697 7.827 1.00 0.00 C ATOM 0 H ILE A 31 -12.235 16.290 3.531 1.00 0.00 H new ATOM 0 HA ILE A 31 -14.797 15.812 4.260 1.00 0.00 H new ATOM 0 HB ILE A 31 -13.922 15.037 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.210 16.192 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -12.440 17.266 6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.061 13.626 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.378 13.702 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -11.895 14.653 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.103 16.300 8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -12.793 15.752 8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -11.543 14.661 7.770 1.00 0.00 H new ATOM 486 N HIS A 32 -13.824 18.684 5.397 1.00 0.00 N ATOM 487 CA HIS A 32 -14.244 19.897 6.091 1.00 0.00 C ATOM 488 C HIS A 32 -15.079 20.786 5.175 1.00 0.00 C ATOM 489 O HIS A 32 -16.253 21.045 5.445 1.00 0.00 O ATOM 490 CB HIS A 32 -13.024 20.669 6.596 1.00 0.00 C ATOM 491 CG HIS A 32 -12.132 19.862 7.489 1.00 0.00 C ATOM 492 ND1 HIS A 32 -12.569 19.278 8.660 1.00 0.00 N ATOM 493 CD2 HIS A 32 -10.822 19.542 7.377 1.00 0.00 C ATOM 494 CE1 HIS A 32 -11.565 18.635 9.229 1.00 0.00 C ATOM 495 NE2 HIS A 32 -10.494 18.780 8.471 1.00 0.00 N ATOM 0 H HIS A 32 -12.968 18.785 4.852 1.00 0.00 H new ATOM 0 HA HIS A 32 -14.858 19.604 6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.447 21.020 5.741 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -13.362 21.553 7.137 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -13.518 19.334 9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.158 19.832 6.576 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.612 18.084 10.157 1.00 0.00 H new ATOM 503 N THR A 33 -14.468 21.251 4.090 1.00 0.00 N ATOM 504 CA THR A 33 -15.154 22.112 3.136 1.00 0.00 C ATOM 505 C THR A 33 -15.571 21.333 1.893 1.00 0.00 C ATOM 506 O THR A 33 -14.773 20.597 1.315 1.00 0.00 O ATOM 507 CB THR A 33 -14.268 23.298 2.711 1.00 0.00 C ATOM 508 OG1 THR A 33 -14.903 24.032 1.658 1.00 0.00 O ATOM 509 CG2 THR A 33 -12.902 22.815 2.248 1.00 0.00 C ATOM 0 H THR A 33 -13.498 21.045 3.850 1.00 0.00 H new ATOM 0 HA THR A 33 -16.043 22.494 3.638 1.00 0.00 H new ATOM 0 HB THR A 33 -14.132 23.948 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.334 24.785 1.395 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.294 23.670 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.409 22.283 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.022 22.145 1.397 1.00 0.00 H new ATOM 517 N ASN A 34 -16.825 21.502 1.488 1.00 0.00 N ATOM 518 CA ASN A 34 -17.347 20.814 0.312 1.00 0.00 C ATOM 519 C ASN A 34 -17.551 19.329 0.597 1.00 0.00 C ATOM 520 O ASN A 34 -17.101 18.474 -0.165 1.00 0.00 O ATOM 521 CB ASN A 34 -16.396 20.992 -0.873 1.00 0.00 C ATOM 522 CG ASN A 34 -17.101 20.844 -2.207 1.00 0.00 C ATOM 523 OD1 ASN A 34 -18.308 20.606 -2.261 1.00 0.00 O ATOM 524 ND2 ASN A 34 -16.349 20.985 -3.293 1.00 0.00 N ATOM 0 H ASN A 34 -17.498 22.109 1.956 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.313 21.254 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -15.931 21.977 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -15.594 20.257 -0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.768 20.896 -4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.352 21.182 -3.201 1.00 0.00 H new ATOM 531 N GLU A 35 -18.232 19.031 1.699 1.00 0.00 N ATOM 532 CA GLU A 35 -18.495 17.649 2.084 1.00 0.00 C ATOM 533 C GLU A 35 -19.826 17.169 1.512 1.00 0.00 C ATOM 534 O GLU A 35 -20.655 17.970 1.079 1.00 0.00 O ATOM 535 CB GLU A 35 -18.505 17.514 3.608 1.00 0.00 C ATOM 536 CG GLU A 35 -19.524 18.409 4.292 1.00 0.00 C ATOM 537 CD GLU A 35 -19.933 17.890 5.657 1.00 0.00 C ATOM 538 OE1 GLU A 35 -19.131 17.161 6.279 1.00 0.00 O ATOM 539 OE2 GLU A 35 -21.053 18.212 6.104 1.00 0.00 O ATOM 0 H GLU A 35 -18.611 19.727 2.341 1.00 0.00 H new ATOM 0 HA GLU A 35 -17.698 17.027 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -18.711 16.476 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.512 17.749 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.109 19.411 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.408 18.495 3.660 1.00 0.00 H new ATOM 546 N LYS A 36 -20.024 15.855 1.512 1.00 0.00 N ATOM 547 CA LYS A 36 -21.253 15.266 0.994 1.00 0.00 C ATOM 548 C LYS A 36 -22.402 15.451 1.980 1.00 0.00 C ATOM 549 O LYS A 36 -22.208 15.511 3.194 1.00 0.00 O ATOM 550 CB LYS A 36 -21.047 13.776 0.709 1.00 0.00 C ATOM 551 CG LYS A 36 -19.902 13.493 -0.247 1.00 0.00 C ATOM 552 CD LYS A 36 -19.258 12.146 0.037 1.00 0.00 C ATOM 553 CE LYS A 36 -18.421 11.669 -1.139 1.00 0.00 C ATOM 554 NZ LYS A 36 -19.266 11.295 -2.307 1.00 0.00 N ATOM 0 H LYS A 36 -19.348 15.177 1.865 1.00 0.00 H new ATOM 0 HA LYS A 36 -21.508 15.776 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -20.861 13.257 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.966 13.363 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.270 13.512 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.153 14.280 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.630 12.222 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.032 11.410 0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.725 12.455 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.823 10.810 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.239 10.264 -2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.247 11.597 -2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.903 11.763 -3.162 1.00 0.00 H new ATOM 568 N PRO A 37 -23.630 15.544 1.447 1.00 0.00 N ATOM 569 CA PRO A 37 -24.835 15.722 2.263 1.00 0.00 C ATOM 570 C PRO A 37 -25.175 14.477 3.075 1.00 0.00 C ATOM 571 O PRO A 37 -25.433 14.559 4.276 1.00 0.00 O ATOM 572 CB PRO A 37 -25.927 15.999 1.226 1.00 0.00 C ATOM 573 CG PRO A 37 -25.434 15.356 -0.024 1.00 0.00 C ATOM 574 CD PRO A 37 -23.936 15.482 0.008 1.00 0.00 C ATOM 0 HA PRO A 37 -24.715 16.517 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -26.884 15.579 1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -26.079 17.069 1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -25.737 14.310 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -25.848 15.847 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -23.451 14.631 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -23.597 16.377 -0.514 1.00 0.00 H new ATOM 582 N TYR A 38 -25.172 13.326 2.412 1.00 0.00 N ATOM 583 CA TYR A 38 -25.482 12.063 3.073 1.00 0.00 C ATOM 584 C TYR A 38 -24.254 11.506 3.787 1.00 0.00 C ATOM 585 O TYR A 38 -23.203 11.308 3.178 1.00 0.00 O ATOM 586 CB TYR A 38 -25.999 11.045 2.056 1.00 0.00 C ATOM 587 CG TYR A 38 -27.178 11.541 1.249 1.00 0.00 C ATOM 588 CD1 TYR A 38 -28.476 11.410 1.727 1.00 0.00 C ATOM 589 CD2 TYR A 38 -26.994 12.139 0.009 1.00 0.00 C ATOM 590 CE1 TYR A 38 -29.557 11.860 0.994 1.00 0.00 C ATOM 591 CE2 TYR A 38 -28.069 12.594 -0.731 1.00 0.00 C ATOM 592 CZ TYR A 38 -29.348 12.452 -0.235 1.00 0.00 C ATOM 593 OH TYR A 38 -30.421 12.903 -0.969 1.00 0.00 O ATOM 0 H TYR A 38 -24.959 13.241 1.418 1.00 0.00 H new ATOM 0 HA TYR A 38 -26.257 12.251 3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -25.189 10.780 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -26.286 10.134 2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -28.643 10.948 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -25.994 12.250 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -30.559 11.749 1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -27.908 13.058 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 38 -30.102 13.294 -1.809 1.00 0.00 H new ATOM 603 N LYS A 39 -24.395 11.255 5.084 1.00 0.00 N ATOM 604 CA LYS A 39 -23.300 10.719 5.884 1.00 0.00 C ATOM 605 C LYS A 39 -23.666 9.356 6.463 1.00 0.00 C ATOM 606 O LYS A 39 -24.821 9.107 6.809 1.00 0.00 O ATOM 607 CB LYS A 39 -22.946 11.687 7.015 1.00 0.00 C ATOM 608 CG LYS A 39 -21.983 12.785 6.597 1.00 0.00 C ATOM 609 CD LYS A 39 -22.717 13.979 6.012 1.00 0.00 C ATOM 610 CE LYS A 39 -21.959 15.274 6.255 1.00 0.00 C ATOM 611 NZ LYS A 39 -22.262 15.852 7.594 1.00 0.00 N ATOM 0 H LYS A 39 -25.258 11.414 5.604 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.434 10.597 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.862 12.143 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -22.507 11.125 7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -21.397 13.104 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -21.280 12.393 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -22.855 13.833 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -23.710 14.049 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.888 15.089 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.217 15.997 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -21.985 16.854 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.281 15.771 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.731 15.335 8.324 1.00 0.00 H new ATOM 625 N CYS A 40 -22.675 8.478 6.567 1.00 0.00 N ATOM 626 CA CYS A 40 -22.891 7.140 7.105 1.00 0.00 C ATOM 627 C CYS A 40 -23.104 7.189 8.616 1.00 0.00 C ATOM 628 O CYS A 40 -22.250 7.651 9.373 1.00 0.00 O ATOM 629 CB CYS A 40 -21.702 6.236 6.776 1.00 0.00 C ATOM 630 SG CYS A 40 -22.032 4.459 7.004 1.00 0.00 S ATOM 0 H CYS A 40 -21.713 8.669 6.286 1.00 0.00 H new ATOM 0 HA CYS A 40 -23.789 6.730 6.642 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -21.403 6.409 5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -20.858 6.521 7.404 1.00 0.00 H new ATOM 635 N PRO A 41 -24.270 6.702 9.065 1.00 0.00 N ATOM 636 CA PRO A 41 -24.622 6.678 10.488 1.00 0.00 C ATOM 637 C PRO A 41 -23.787 5.674 11.275 1.00 0.00 C ATOM 638 O PRO A 41 -23.912 5.571 12.495 1.00 0.00 O ATOM 639 CB PRO A 41 -26.095 6.260 10.482 1.00 0.00 C ATOM 640 CG PRO A 41 -26.267 5.500 9.212 1.00 0.00 C ATOM 641 CD PRO A 41 -25.334 6.136 8.219 1.00 0.00 C ATOM 0 HA PRO A 41 -24.439 7.639 10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.335 5.643 11.348 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.753 7.128 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.028 4.446 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.299 5.549 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -24.940 5.405 7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.835 6.907 7.634 1.00 0.00 H new ATOM 649 N GLN A 42 -22.935 4.938 10.570 1.00 0.00 N ATOM 650 CA GLN A 42 -22.079 3.942 11.204 1.00 0.00 C ATOM 651 C GLN A 42 -20.639 4.437 11.289 1.00 0.00 C ATOM 652 O GLN A 42 -19.996 4.333 12.334 1.00 0.00 O ATOM 653 CB GLN A 42 -22.133 2.624 10.429 1.00 0.00 C ATOM 654 CG GLN A 42 -23.501 1.962 10.451 1.00 0.00 C ATOM 655 CD GLN A 42 -23.695 1.063 11.656 1.00 0.00 C ATOM 656 OE1 GLN A 42 -22.728 0.601 12.262 1.00 0.00 O ATOM 657 NE2 GLN A 42 -24.950 0.809 12.009 1.00 0.00 N ATOM 0 H GLN A 42 -22.819 5.012 9.559 1.00 0.00 H new ATOM 0 HA GLN A 42 -22.447 3.775 12.216 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -21.844 2.808 9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -21.399 1.936 10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -24.273 2.732 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -23.632 1.377 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -25.721 1.213 11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -25.143 0.210 12.811 1.00 0.00 H new ATOM 666 N CYS A 43 -20.137 4.975 10.183 1.00 0.00 N ATOM 667 CA CYS A 43 -18.772 5.486 10.131 1.00 0.00 C ATOM 668 C CYS A 43 -18.729 6.855 9.458 1.00 0.00 C ATOM 669 O CYS A 43 -19.766 7.429 9.128 1.00 0.00 O ATOM 670 CB CYS A 43 -17.868 4.507 9.379 1.00 0.00 C ATOM 671 SG CYS A 43 -18.280 4.318 7.615 1.00 0.00 S ATOM 0 H CYS A 43 -20.655 5.069 9.310 1.00 0.00 H new ATOM 0 HA CYS A 43 -18.411 5.592 11.154 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -16.835 4.844 9.466 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -17.927 3.531 9.861 1.00 0.00 H new ATOM 676 N SER A 44 -17.521 7.372 9.258 1.00 0.00 N ATOM 677 CA SER A 44 -17.341 8.675 8.628 1.00 0.00 C ATOM 678 C SER A 44 -17.736 8.625 7.155 1.00 0.00 C ATOM 679 O SER A 44 -18.056 9.649 6.552 1.00 0.00 O ATOM 680 CB SER A 44 -15.889 9.134 8.763 1.00 0.00 C ATOM 681 OG SER A 44 -15.688 10.384 8.126 1.00 0.00 O ATOM 0 H SER A 44 -16.652 6.908 9.523 1.00 0.00 H new ATOM 0 HA SER A 44 -17.989 9.389 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.626 9.213 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.226 8.388 8.324 1.00 0.00 H new ATOM 0 HG SER A 44 -14.752 10.656 8.228 1.00 0.00 H new ATOM 687 N TYR A 45 -17.711 7.426 6.583 1.00 0.00 N ATOM 688 CA TYR A 45 -18.064 7.242 5.180 1.00 0.00 C ATOM 689 C TYR A 45 -19.235 8.137 4.790 1.00 0.00 C ATOM 690 O TYR A 45 -20.226 8.233 5.515 1.00 0.00 O ATOM 691 CB TYR A 45 -18.414 5.778 4.909 1.00 0.00 C ATOM 692 CG TYR A 45 -18.767 5.497 3.466 1.00 0.00 C ATOM 693 CD1 TYR A 45 -20.006 5.857 2.951 1.00 0.00 C ATOM 694 CD2 TYR A 45 -17.862 4.870 2.618 1.00 0.00 C ATOM 695 CE1 TYR A 45 -20.333 5.602 1.633 1.00 0.00 C ATOM 696 CE2 TYR A 45 -18.180 4.612 1.299 1.00 0.00 C ATOM 697 CZ TYR A 45 -19.417 4.979 0.811 1.00 0.00 C ATOM 698 OH TYR A 45 -19.738 4.723 -0.502 1.00 0.00 O ATOM 0 H TYR A 45 -17.450 6.568 7.069 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.201 7.521 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.569 5.152 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -19.253 5.491 5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -20.726 6.344 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.893 4.579 2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -21.301 5.889 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.464 4.126 0.653 1.00 0.00 H new ATOM 0 HH TYR A 45 -20.331 5.428 -0.837 1.00 0.00 H new ATOM 708 N ALA A 46 -19.115 8.791 3.640 1.00 0.00 N ATOM 709 CA ALA A 46 -20.164 9.677 3.151 1.00 0.00 C ATOM 710 C ALA A 46 -20.335 9.545 1.641 1.00 0.00 C ATOM 711 O ALA A 46 -19.405 9.158 0.933 1.00 0.00 O ATOM 712 CB ALA A 46 -19.853 11.119 3.525 1.00 0.00 C ATOM 0 H ALA A 46 -18.301 8.724 3.029 1.00 0.00 H new ATOM 0 HA ALA A 46 -21.102 9.385 3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -20.644 11.770 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -19.789 11.208 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -18.902 11.413 3.080 1.00 0.00 H new ATOM 718 N SER A 47 -21.529 9.868 1.155 1.00 0.00 N ATOM 719 CA SER A 47 -21.823 9.781 -0.270 1.00 0.00 C ATOM 720 C SER A 47 -22.742 10.918 -0.706 1.00 0.00 C ATOM 721 O SER A 47 -23.501 11.459 0.097 1.00 0.00 O ATOM 722 CB SER A 47 -22.469 8.433 -0.598 1.00 0.00 C ATOM 723 OG SER A 47 -21.516 7.385 -0.548 1.00 0.00 O ATOM 0 H SER A 47 -22.308 10.192 1.727 1.00 0.00 H new ATOM 0 HA SER A 47 -20.883 9.868 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 47 -23.274 8.231 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 47 -22.918 8.473 -1.590 1.00 0.00 H new ATOM 0 HG SER A 47 -21.346 7.054 -1.455 1.00 0.00 H new ATOM 729 N ALA A 48 -22.666 11.275 -1.984 1.00 0.00 N ATOM 730 CA ALA A 48 -23.492 12.345 -2.528 1.00 0.00 C ATOM 731 C ALA A 48 -24.913 11.861 -2.795 1.00 0.00 C ATOM 732 O ALA A 48 -25.875 12.613 -2.636 1.00 0.00 O ATOM 733 CB ALA A 48 -22.871 12.894 -3.804 1.00 0.00 C ATOM 0 H ALA A 48 -22.041 10.839 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 48 -23.542 13.144 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -23.498 13.693 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.878 13.287 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -22.791 12.096 -4.542 1.00 0.00 H new ATOM 739 N ILE A 49 -25.038 10.602 -3.201 1.00 0.00 N ATOM 740 CA ILE A 49 -26.342 10.018 -3.489 1.00 0.00 C ATOM 741 C ILE A 49 -26.890 9.271 -2.278 1.00 0.00 C ATOM 742 O ILE A 49 -26.131 8.728 -1.474 1.00 0.00 O ATOM 743 CB ILE A 49 -26.275 9.053 -4.687 1.00 0.00 C ATOM 744 CG1 ILE A 49 -25.737 9.776 -5.923 1.00 0.00 C ATOM 745 CG2 ILE A 49 -27.648 8.461 -4.968 1.00 0.00 C ATOM 746 CD1 ILE A 49 -25.087 8.852 -6.929 1.00 0.00 C ATOM 0 H ILE A 49 -24.252 9.967 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 49 -27.009 10.844 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 49 -25.594 8.239 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -26.555 10.309 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -25.011 10.525 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -27.584 7.781 -5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -27.995 7.914 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -28.350 9.263 -5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -24.729 9.433 -7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -24.247 8.338 -6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -25.816 8.118 -7.273 1.00 0.00 H new ATOM 758 N LYS A 50 -28.212 9.245 -2.154 1.00 0.00 N ATOM 759 CA LYS A 50 -28.864 8.561 -1.043 1.00 0.00 C ATOM 760 C LYS A 50 -28.688 7.050 -1.156 1.00 0.00 C ATOM 761 O LYS A 50 -28.225 6.398 -0.221 1.00 0.00 O ATOM 762 CB LYS A 50 -30.353 8.911 -1.004 1.00 0.00 C ATOM 763 CG LYS A 50 -31.100 8.264 0.149 1.00 0.00 C ATOM 764 CD LYS A 50 -30.912 9.041 1.441 1.00 0.00 C ATOM 765 CE LYS A 50 -31.163 8.166 2.660 1.00 0.00 C ATOM 766 NZ LYS A 50 -32.615 7.912 2.870 1.00 0.00 N ATOM 0 H LYS A 50 -28.854 9.690 -2.810 1.00 0.00 H new ATOM 0 HA LYS A 50 -28.395 8.895 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -30.461 9.993 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -30.814 8.604 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -32.162 8.206 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -30.748 7.241 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -29.899 9.441 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -31.592 9.893 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -30.642 7.216 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -30.747 8.648 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -32.745 7.312 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -33.109 8.816 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -33.007 7.430 2.036 1.00 0.00 H new ATOM 780 N ALA A 51 -29.061 6.500 -2.307 1.00 0.00 N ATOM 781 CA ALA A 51 -28.941 5.067 -2.543 1.00 0.00 C ATOM 782 C ALA A 51 -27.517 4.586 -2.289 1.00 0.00 C ATOM 783 O ALA A 51 -27.292 3.681 -1.486 1.00 0.00 O ATOM 784 CB ALA A 51 -29.369 4.729 -3.964 1.00 0.00 C ATOM 0 H ALA A 51 -29.449 7.026 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 51 -29.600 4.552 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -29.274 3.655 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -30.406 5.029 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -28.733 5.261 -4.672 1.00 0.00 H new ATOM 790 N ASN A 52 -26.559 5.196 -2.978 1.00 0.00 N ATOM 791 CA ASN A 52 -25.155 4.828 -2.828 1.00 0.00 C ATOM 792 C ASN A 52 -24.850 4.428 -1.388 1.00 0.00 C ATOM 793 O ASN A 52 -24.296 3.357 -1.134 1.00 0.00 O ATOM 794 CB ASN A 52 -24.254 5.991 -3.248 1.00 0.00 C ATOM 795 CG ASN A 52 -22.787 5.607 -3.266 1.00 0.00 C ATOM 796 OD1 ASN A 52 -22.341 4.776 -2.475 1.00 0.00 O ATOM 797 ND2 ASN A 52 -22.028 6.214 -4.171 1.00 0.00 N ATOM 0 H ASN A 52 -26.729 5.948 -3.646 1.00 0.00 H new ATOM 0 HA ASN A 52 -24.957 3.973 -3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -24.549 6.336 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -24.400 6.826 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.033 5.998 -4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -22.440 6.897 -4.807 1.00 0.00 H new ATOM 804 N LEU A 53 -25.215 5.293 -0.448 1.00 0.00 N ATOM 805 CA LEU A 53 -24.981 5.030 0.967 1.00 0.00 C ATOM 806 C LEU A 53 -25.694 3.756 1.409 1.00 0.00 C ATOM 807 O LEU A 53 -25.074 2.843 1.953 1.00 0.00 O ATOM 808 CB LEU A 53 -25.457 6.214 1.812 1.00 0.00 C ATOM 809 CG LEU A 53 -24.899 6.291 3.233 1.00 0.00 C ATOM 810 CD1 LEU A 53 -23.388 6.455 3.206 1.00 0.00 C ATOM 811 CD2 LEU A 53 -25.548 7.435 3.999 1.00 0.00 C ATOM 0 H LEU A 53 -25.674 6.183 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 53 -23.909 4.894 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -25.197 7.135 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.545 6.178 1.872 1.00 0.00 H new ATOM 0 HG LEU A 53 -25.133 5.358 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -23.009 6.508 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.939 5.603 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -23.131 7.372 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -25.139 7.475 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -25.346 8.376 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -26.625 7.274 4.050 1.00 0.00 H new ATOM 823 N ASN A 54 -27.000 3.702 1.171 1.00 0.00 N ATOM 824 CA ASN A 54 -27.798 2.539 1.543 1.00 0.00 C ATOM 825 C ASN A 54 -27.025 1.247 1.294 1.00 0.00 C ATOM 826 O ASN A 54 -27.079 0.314 2.095 1.00 0.00 O ATOM 827 CB ASN A 54 -29.110 2.522 0.757 1.00 0.00 C ATOM 828 CG ASN A 54 -30.123 3.511 1.300 1.00 0.00 C ATOM 829 OD1 ASN A 54 -29.906 4.129 2.342 1.00 0.00 O ATOM 830 ND2 ASN A 54 -31.237 3.664 0.594 1.00 0.00 N ATOM 0 H ASN A 54 -27.529 4.450 0.722 1.00 0.00 H new ATOM 0 HA ASN A 54 -28.022 2.608 2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -28.907 2.752 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -29.535 1.519 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.956 4.315 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -31.374 3.130 -0.264 1.00 0.00 H new ATOM 837 N VAL A 55 -26.307 1.200 0.176 1.00 0.00 N ATOM 838 CA VAL A 55 -25.521 0.024 -0.179 1.00 0.00 C ATOM 839 C VAL A 55 -24.341 -0.155 0.769 1.00 0.00 C ATOM 840 O VAL A 55 -24.162 -1.219 1.362 1.00 0.00 O ATOM 841 CB VAL A 55 -24.996 0.115 -1.624 1.00 0.00 C ATOM 842 CG1 VAL A 55 -24.149 -1.102 -1.962 1.00 0.00 C ATOM 843 CG2 VAL A 55 -26.152 0.259 -2.602 1.00 0.00 C ATOM 0 H VAL A 55 -26.253 1.963 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 55 -26.184 -0.837 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 55 -24.366 1.001 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -23.787 -1.020 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -23.300 -1.155 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -24.752 -2.004 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -25.763 0.322 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -26.810 -0.606 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -26.713 1.165 -2.371 1.00 0.00 H new ATOM 853 N HIS A 56 -23.536 0.894 0.908 1.00 0.00 N ATOM 854 CA HIS A 56 -22.371 0.854 1.785 1.00 0.00 C ATOM 855 C HIS A 56 -22.736 0.268 3.146 1.00 0.00 C ATOM 856 O HIS A 56 -21.997 -0.545 3.702 1.00 0.00 O ATOM 857 CB HIS A 56 -21.790 2.257 1.961 1.00 0.00 C ATOM 858 CG HIS A 56 -20.830 2.369 3.105 1.00 0.00 C ATOM 859 ND1 HIS A 56 -19.479 2.121 2.981 1.00 0.00 N ATOM 860 CD2 HIS A 56 -21.032 2.705 4.401 1.00 0.00 C ATOM 861 CE1 HIS A 56 -18.892 2.299 4.152 1.00 0.00 C ATOM 862 NE2 HIS A 56 -19.813 2.654 5.030 1.00 0.00 N ATOM 0 H HIS A 56 -23.669 1.782 0.424 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.620 0.214 1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -21.282 2.549 1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.607 2.963 2.112 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -19.007 1.844 2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.977 2.965 4.855 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -17.839 2.175 4.356 1.00 0.00 H new ATOM 870 N LEU A 57 -23.880 0.686 3.677 1.00 0.00 N ATOM 871 CA LEU A 57 -24.343 0.202 4.973 1.00 0.00 C ATOM 872 C LEU A 57 -24.300 -1.321 5.034 1.00 0.00 C ATOM 873 O LEU A 57 -24.078 -1.904 6.095 1.00 0.00 O ATOM 874 CB LEU A 57 -25.766 0.695 5.245 1.00 0.00 C ATOM 875 CG LEU A 57 -25.923 2.198 5.475 1.00 0.00 C ATOM 876 CD1 LEU A 57 -27.376 2.614 5.311 1.00 0.00 C ATOM 877 CD2 LEU A 57 -25.409 2.583 6.854 1.00 0.00 C ATOM 0 H LEU A 57 -24.504 1.358 3.230 1.00 0.00 H new ATOM 0 HA LEU A 57 -23.675 0.596 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -26.395 0.409 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -26.149 0.172 6.121 1.00 0.00 H new ATOM 0 HG LEU A 57 -25.329 2.724 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -27.468 3.687 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -27.712 2.374 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -27.991 2.080 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -25.529 3.656 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -25.975 2.048 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -24.354 2.321 6.935 1.00 0.00 H new ATOM 889 N ARG A 58 -24.512 -1.960 3.888 1.00 0.00 N ATOM 890 CA ARG A 58 -24.496 -3.416 3.810 1.00 0.00 C ATOM 891 C ARG A 58 -23.176 -3.974 4.334 1.00 0.00 C ATOM 892 O ARG A 58 -23.144 -5.026 4.972 1.00 0.00 O ATOM 893 CB ARG A 58 -24.719 -3.873 2.367 1.00 0.00 C ATOM 894 CG ARG A 58 -26.043 -3.411 1.779 1.00 0.00 C ATOM 895 CD ARG A 58 -25.984 -3.343 0.261 1.00 0.00 C ATOM 896 NE ARG A 58 -25.920 -4.671 -0.344 1.00 0.00 N ATOM 897 CZ ARG A 58 -26.984 -5.440 -0.544 1.00 0.00 C ATOM 898 NH1 ARG A 58 -28.189 -5.015 -0.189 1.00 0.00 N ATOM 899 NH2 ARG A 58 -26.845 -6.636 -1.100 1.00 0.00 N ATOM 0 H ARG A 58 -24.697 -1.492 3.001 1.00 0.00 H new ATOM 0 HA ARG A 58 -25.305 -3.797 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -23.905 -3.498 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -24.674 -4.961 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -26.836 -4.094 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -26.297 -2.429 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -26.862 -2.816 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -25.112 -2.764 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 58 -25.008 -5.027 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -28.300 -4.096 0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -29.005 -5.607 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.920 -6.966 -1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -27.663 -7.226 -1.253 1.00 0.00 H new ATOM 913 N LYS A 59 -22.089 -3.262 4.059 1.00 0.00 N ATOM 914 CA LYS A 59 -20.765 -3.684 4.503 1.00 0.00 C ATOM 915 C LYS A 59 -20.706 -3.780 6.024 1.00 0.00 C ATOM 916 O LYS A 59 -19.983 -4.610 6.576 1.00 0.00 O ATOM 917 CB LYS A 59 -19.700 -2.707 4.000 1.00 0.00 C ATOM 918 CG LYS A 59 -19.301 -2.934 2.553 1.00 0.00 C ATOM 919 CD LYS A 59 -20.174 -2.134 1.601 1.00 0.00 C ATOM 920 CE LYS A 59 -19.818 -2.415 0.149 1.00 0.00 C ATOM 921 NZ LYS A 59 -20.300 -3.754 -0.291 1.00 0.00 N ATOM 0 H LYS A 59 -22.098 -2.390 3.531 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.567 -4.672 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.073 -1.689 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.814 -2.792 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.257 -2.653 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -19.379 -3.995 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.222 -2.379 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.057 -1.070 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.254 -1.645 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -18.737 -2.359 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.098 -3.880 -1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.814 -4.494 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.325 -3.824 -0.131 1.00 0.00 H new ATOM 935 N HIS A 60 -21.471 -2.925 6.696 1.00 0.00 N ATOM 936 CA HIS A 60 -21.506 -2.915 8.154 1.00 0.00 C ATOM 937 C HIS A 60 -22.372 -4.054 8.685 1.00 0.00 C ATOM 938 O HIS A 60 -23.318 -3.830 9.441 1.00 0.00 O ATOM 939 CB HIS A 60 -22.039 -1.575 8.663 1.00 0.00 C ATOM 940 CG HIS A 60 -21.111 -0.427 8.410 1.00 0.00 C ATOM 941 ND1 HIS A 60 -19.860 -0.330 8.980 1.00 0.00 N ATOM 942 CD2 HIS A 60 -21.258 0.677 7.640 1.00 0.00 C ATOM 943 CE1 HIS A 60 -19.277 0.784 8.574 1.00 0.00 C ATOM 944 NE2 HIS A 60 -20.105 1.413 7.759 1.00 0.00 N ATOM 0 H HIS A 60 -22.074 -2.231 6.255 1.00 0.00 H new ATOM 0 HA HIS A 60 -20.488 -3.055 8.518 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -22.997 -1.369 8.186 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -22.226 -1.651 9.734 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -19.448 -1.012 9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -22.121 0.931 7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -18.292 1.123 8.860 1.00 0.00 H new ATOM 952 N THR A 61 -22.042 -5.278 8.284 1.00 0.00 N ATOM 953 CA THR A 61 -22.789 -6.452 8.716 1.00 0.00 C ATOM 954 C THR A 61 -21.873 -7.472 9.383 1.00 0.00 C ATOM 955 O THR A 61 -22.213 -8.042 10.419 1.00 0.00 O ATOM 956 CB THR A 61 -23.513 -7.124 7.535 1.00 0.00 C ATOM 957 OG1 THR A 61 -22.617 -7.264 6.427 1.00 0.00 O ATOM 958 CG2 THR A 61 -24.728 -6.312 7.112 1.00 0.00 C ATOM 0 H THR A 61 -21.261 -5.482 7.660 1.00 0.00 H new ATOM 0 HA THR A 61 -23.530 -6.107 9.437 1.00 0.00 H new ATOM 0 HB THR A 61 -23.849 -8.110 7.857 1.00 0.00 H new ATOM 0 HG1 THR A 61 -22.722 -6.500 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 61 -25.223 -6.806 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 61 -25.422 -6.232 7.949 1.00 0.00 H new ATOM 0 HG23 THR A 61 -24.411 -5.315 6.807 1.00 0.00 H new ATOM 966 N GLY A 62 -20.709 -7.696 8.783 1.00 0.00 N ATOM 967 CA GLY A 62 -19.761 -8.648 9.333 1.00 0.00 C ATOM 968 C GLY A 62 -18.892 -8.040 10.416 1.00 0.00 C ATOM 969 O GLY A 62 -19.380 -7.699 11.493 1.00 0.00 O ATOM 0 H GLY A 62 -20.405 -7.235 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -20.303 -9.501 9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.126 -9.028 8.533 1.00 0.00 H new ATOM 973 N GLU A 63 -17.601 -7.905 10.131 1.00 0.00 N ATOM 974 CA GLU A 63 -16.662 -7.336 11.091 1.00 0.00 C ATOM 975 C GLU A 63 -15.457 -6.729 10.379 1.00 0.00 C ATOM 976 O GLU A 63 -14.993 -7.249 9.364 1.00 0.00 O ATOM 977 CB GLU A 63 -16.197 -8.408 12.079 1.00 0.00 C ATOM 978 CG GLU A 63 -17.078 -8.522 13.312 1.00 0.00 C ATOM 979 CD GLU A 63 -16.643 -9.640 14.239 1.00 0.00 C ATOM 980 OE1 GLU A 63 -15.799 -9.382 15.124 1.00 0.00 O ATOM 981 OE2 GLU A 63 -17.144 -10.772 14.081 1.00 0.00 O ATOM 0 H GLU A 63 -17.181 -8.182 9.243 1.00 0.00 H new ATOM 0 HA GLU A 63 -17.175 -6.545 11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.171 -9.372 11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.177 -8.185 12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.060 -7.577 13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.109 -8.692 13.003 1.00 0.00 H new ATOM 988 N LYS A 64 -14.955 -5.623 10.918 1.00 0.00 N ATOM 989 CA LYS A 64 -13.804 -4.943 10.337 1.00 0.00 C ATOM 990 C LYS A 64 -12.689 -4.784 11.365 1.00 0.00 C ATOM 991 O LYS A 64 -12.909 -4.954 12.565 1.00 0.00 O ATOM 992 CB LYS A 64 -14.215 -3.570 9.798 1.00 0.00 C ATOM 993 CG LYS A 64 -15.242 -3.638 8.682 1.00 0.00 C ATOM 994 CD LYS A 64 -15.875 -2.281 8.424 1.00 0.00 C ATOM 995 CE LYS A 64 -16.901 -1.932 9.491 1.00 0.00 C ATOM 996 NZ LYS A 64 -18.106 -2.802 9.408 1.00 0.00 N ATOM 0 H LYS A 64 -15.328 -5.178 11.757 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.431 -5.553 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.619 -2.974 10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.328 -3.052 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.766 -3.998 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.017 -4.359 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.099 -1.515 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.353 -2.282 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.448 -2.033 10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.198 -0.889 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.816 -2.478 10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.505 -2.752 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.840 -3.784 9.622 1.00 0.00 H new ATOM 1010 N PHE A 65 -11.493 -4.455 10.889 1.00 0.00 N ATOM 1011 CA PHE A 65 -10.343 -4.273 11.768 1.00 0.00 C ATOM 1012 C PHE A 65 -9.812 -2.845 11.679 1.00 0.00 C ATOM 1013 O PHE A 65 -9.462 -2.368 10.600 1.00 0.00 O ATOM 1014 CB PHE A 65 -9.236 -5.265 11.408 1.00 0.00 C ATOM 1015 CG PHE A 65 -9.679 -6.700 11.452 1.00 0.00 C ATOM 1016 CD1 PHE A 65 -10.361 -7.261 10.384 1.00 0.00 C ATOM 1017 CD2 PHE A 65 -9.414 -7.486 12.561 1.00 0.00 C ATOM 1018 CE1 PHE A 65 -10.769 -8.581 10.422 1.00 0.00 C ATOM 1019 CE2 PHE A 65 -9.820 -8.807 12.604 1.00 0.00 C ATOM 1020 CZ PHE A 65 -10.500 -9.354 11.533 1.00 0.00 C ATOM 0 H PHE A 65 -11.294 -4.309 9.899 1.00 0.00 H new ATOM 0 HA PHE A 65 -10.667 -4.458 12.792 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.867 -5.038 10.408 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.401 -5.130 12.095 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.576 -6.660 9.513 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.884 -7.062 13.402 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.298 -9.007 9.583 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.606 -9.410 13.474 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.821 -10.385 11.565 1.00 0.00 H new ATOM 1030 N ALA A 66 -9.754 -2.169 12.822 1.00 0.00 N ATOM 1031 CA ALA A 66 -9.264 -0.797 12.873 1.00 0.00 C ATOM 1032 C ALA A 66 -7.785 -0.756 13.246 1.00 0.00 C ATOM 1033 O ALA A 66 -7.283 -1.645 13.934 1.00 0.00 O ATOM 1034 CB ALA A 66 -10.082 0.018 13.863 1.00 0.00 C ATOM 0 H ALA A 66 -10.040 -2.549 13.724 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.374 -0.360 11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.706 1.041 13.891 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.127 0.024 13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.000 -0.426 14.855 1.00 0.00 H new ATOM 1040 N CYS A 67 -7.093 0.281 12.787 1.00 0.00 N ATOM 1041 CA CYS A 67 -5.672 0.438 13.071 1.00 0.00 C ATOM 1042 C CYS A 67 -5.457 1.069 14.443 1.00 0.00 C ATOM 1043 O CYS A 67 -6.201 1.963 14.850 1.00 0.00 O ATOM 1044 CB CYS A 67 -5.007 1.296 11.993 1.00 0.00 C ATOM 1045 SG CYS A 67 -3.188 1.328 12.085 1.00 0.00 S ATOM 0 H CYS A 67 -7.494 1.026 12.216 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.216 -0.552 13.071 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.304 0.923 11.013 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.382 2.316 12.073 1.00 0.00 H new ATOM 1050 N ASP A 68 -4.437 0.599 15.152 1.00 0.00 N ATOM 1051 CA ASP A 68 -4.123 1.119 16.478 1.00 0.00 C ATOM 1052 C ASP A 68 -3.519 2.517 16.385 1.00 0.00 C ATOM 1053 O ASP A 68 -3.925 3.428 17.107 1.00 0.00 O ATOM 1054 CB ASP A 68 -3.157 0.179 17.201 1.00 0.00 C ATOM 1055 CG ASP A 68 -3.055 0.483 18.683 1.00 0.00 C ATOM 1056 OD1 ASP A 68 -3.992 1.103 19.227 1.00 0.00 O ATOM 1057 OD2 ASP A 68 -2.037 0.101 19.299 1.00 0.00 O ATOM 0 H ASP A 68 -3.813 -0.141 14.831 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.051 1.182 17.046 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.487 -0.851 17.066 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.169 0.259 16.748 1.00 0.00 H new ATOM 1062 N TYR A 69 -2.548 2.678 15.493 1.00 0.00 N ATOM 1063 CA TYR A 69 -1.886 3.964 15.309 1.00 0.00 C ATOM 1064 C TYR A 69 -2.861 5.007 14.771 1.00 0.00 C ATOM 1065 O TYR A 69 -3.096 6.038 15.402 1.00 0.00 O ATOM 1066 CB TYR A 69 -0.700 3.818 14.354 1.00 0.00 C ATOM 1067 CG TYR A 69 0.379 2.891 14.866 1.00 0.00 C ATOM 1068 CD1 TYR A 69 0.270 1.515 14.714 1.00 0.00 C ATOM 1069 CD2 TYR A 69 1.509 3.393 15.500 1.00 0.00 C ATOM 1070 CE1 TYR A 69 1.253 0.664 15.181 1.00 0.00 C ATOM 1071 CE2 TYR A 69 2.498 2.550 15.969 1.00 0.00 C ATOM 1072 CZ TYR A 69 2.365 1.187 15.808 1.00 0.00 C ATOM 1073 OH TYR A 69 3.348 0.343 16.273 1.00 0.00 O ATOM 0 H TYR A 69 -2.202 1.935 14.886 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.523 4.300 16.281 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.060 3.447 13.394 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.267 4.802 14.173 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.599 1.103 14.222 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.616 4.460 15.628 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.152 -0.404 15.056 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.370 2.956 16.459 1.00 0.00 H new ATOM 0 HH TYR A 69 4.063 0.870 16.688 1.00 0.00 H new ATOM 1083 N CYS A 70 -3.428 4.730 13.601 1.00 0.00 N ATOM 1084 CA CYS A 70 -4.378 5.642 12.976 1.00 0.00 C ATOM 1085 C CYS A 70 -5.806 5.127 13.128 1.00 0.00 C ATOM 1086 O CYS A 70 -6.040 4.087 13.743 1.00 0.00 O ATOM 1087 CB CYS A 70 -4.044 5.823 11.494 1.00 0.00 C ATOM 1088 SG CYS A 70 -4.323 4.334 10.482 1.00 0.00 S ATOM 0 H CYS A 70 -3.246 3.881 13.067 1.00 0.00 H new ATOM 0 HA CYS A 70 -4.303 6.606 13.479 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.646 6.639 11.094 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.000 6.122 11.402 1.00 0.00 H new ATOM 1093 N SER A 71 -6.758 5.862 12.562 1.00 0.00 N ATOM 1094 CA SER A 71 -8.164 5.483 12.637 1.00 0.00 C ATOM 1095 C SER A 71 -8.611 4.798 11.349 1.00 0.00 C ATOM 1096 O SER A 71 -9.754 4.950 10.916 1.00 0.00 O ATOM 1097 CB SER A 71 -9.033 6.713 12.903 1.00 0.00 C ATOM 1098 OG SER A 71 -10.377 6.343 13.155 1.00 0.00 O ATOM 0 H SER A 71 -6.581 6.724 12.046 1.00 0.00 H new ATOM 0 HA SER A 71 -8.282 4.780 13.462 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.638 7.263 13.757 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.992 7.384 12.045 1.00 0.00 H new ATOM 0 HG SER A 71 -10.713 5.803 12.409 1.00 0.00 H new ATOM 1104 N PHE A 72 -7.701 4.045 10.740 1.00 0.00 N ATOM 1105 CA PHE A 72 -8.000 3.337 9.500 1.00 0.00 C ATOM 1106 C PHE A 72 -8.753 2.040 9.782 1.00 0.00 C ATOM 1107 O PHE A 72 -8.657 1.477 10.873 1.00 0.00 O ATOM 1108 CB PHE A 72 -6.709 3.035 8.737 1.00 0.00 C ATOM 1109 CG PHE A 72 -6.891 2.048 7.619 1.00 0.00 C ATOM 1110 CD1 PHE A 72 -7.509 2.426 6.438 1.00 0.00 C ATOM 1111 CD2 PHE A 72 -6.444 0.743 7.750 1.00 0.00 C ATOM 1112 CE1 PHE A 72 -7.677 1.521 5.407 1.00 0.00 C ATOM 1113 CE2 PHE A 72 -6.609 -0.166 6.722 1.00 0.00 C ATOM 1114 CZ PHE A 72 -7.228 0.223 5.550 1.00 0.00 C ATOM 0 H PHE A 72 -6.751 3.909 11.085 1.00 0.00 H new ATOM 0 HA PHE A 72 -8.634 3.979 8.888 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.311 3.964 8.329 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.966 2.649 9.435 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.864 3.439 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.962 0.433 8.665 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.159 1.829 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.254 -1.180 6.835 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.361 -0.487 4.747 1.00 0.00 H new ATOM 1124 N THR A 73 -9.504 1.571 8.791 1.00 0.00 N ATOM 1125 CA THR A 73 -10.275 0.342 8.931 1.00 0.00 C ATOM 1126 C THR A 73 -10.238 -0.480 7.648 1.00 0.00 C ATOM 1127 O THR A 73 -10.188 0.072 6.547 1.00 0.00 O ATOM 1128 CB THR A 73 -11.742 0.638 9.295 1.00 0.00 C ATOM 1129 OG1 THR A 73 -12.267 1.653 8.431 1.00 0.00 O ATOM 1130 CG2 THR A 73 -11.860 1.088 10.744 1.00 0.00 C ATOM 0 H THR A 73 -9.595 2.024 7.882 1.00 0.00 H new ATOM 0 HA THR A 73 -9.816 -0.229 9.738 1.00 0.00 H new ATOM 0 HB THR A 73 -12.317 -0.279 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.201 1.834 8.668 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.905 1.291 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.487 0.302 11.401 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.272 1.994 10.893 1.00 0.00 H new ATOM 1138 N CYS A 74 -10.264 -1.799 7.795 1.00 0.00 N ATOM 1139 CA CYS A 74 -10.233 -2.698 6.646 1.00 0.00 C ATOM 1140 C CYS A 74 -11.081 -3.939 6.905 1.00 0.00 C ATOM 1141 O CYS A 74 -11.157 -4.428 8.033 1.00 0.00 O ATOM 1142 CB CYS A 74 -8.793 -3.105 6.330 1.00 0.00 C ATOM 1143 SG CYS A 74 -8.507 -3.511 4.591 1.00 0.00 S ATOM 0 H CYS A 74 -10.306 -2.271 8.698 1.00 0.00 H new ATOM 0 HA CYS A 74 -10.649 -2.168 5.789 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -8.126 -2.293 6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.527 -3.967 6.942 1.00 0.00 H new ATOM 0 HG CYS A 74 -7.608 -2.710 4.101 1.00 0.00 H new ATOM 1149 N LEU A 75 -11.717 -4.444 5.853 1.00 0.00 N ATOM 1150 CA LEU A 75 -12.561 -5.628 5.966 1.00 0.00 C ATOM 1151 C LEU A 75 -11.741 -6.843 6.390 1.00 0.00 C ATOM 1152 O LEU A 75 -12.198 -7.666 7.183 1.00 0.00 O ATOM 1153 CB LEU A 75 -13.259 -5.910 4.634 1.00 0.00 C ATOM 1154 CG LEU A 75 -14.634 -5.267 4.448 1.00 0.00 C ATOM 1155 CD1 LEU A 75 -15.647 -5.892 5.394 1.00 0.00 C ATOM 1156 CD2 LEU A 75 -14.554 -3.764 4.666 1.00 0.00 C ATOM 0 H LEU A 75 -11.664 -4.052 4.913 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.314 -5.436 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.609 -5.571 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.367 -6.989 4.524 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.963 -5.448 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.620 -5.422 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.725 -6.960 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.323 -5.743 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.542 -3.323 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.203 -3.561 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.860 -3.329 3.947 1.00 0.00 H new ATOM 1168 N SER A 76 -10.527 -6.946 5.859 1.00 0.00 N ATOM 1169 CA SER A 76 -9.644 -8.061 6.181 1.00 0.00 C ATOM 1170 C SER A 76 -8.558 -7.628 7.160 1.00 0.00 C ATOM 1171 O SER A 76 -8.196 -6.453 7.225 1.00 0.00 O ATOM 1172 CB SER A 76 -9.006 -8.618 4.907 1.00 0.00 C ATOM 1173 OG SER A 76 -8.262 -7.620 4.230 1.00 0.00 O ATOM 0 H SER A 76 -10.132 -6.271 5.204 1.00 0.00 H new ATOM 0 HA SER A 76 -10.242 -8.842 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.354 -9.454 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.782 -9.007 4.248 1.00 0.00 H new ATOM 0 HG SER A 76 -7.863 -8.002 3.420 1.00 0.00 H new ATOM 1179 N LYS A 77 -8.040 -8.585 7.922 1.00 0.00 N ATOM 1180 CA LYS A 77 -6.994 -8.306 8.898 1.00 0.00 C ATOM 1181 C LYS A 77 -5.629 -8.215 8.222 1.00 0.00 C ATOM 1182 O LYS A 77 -4.905 -7.236 8.393 1.00 0.00 O ATOM 1183 CB LYS A 77 -6.970 -9.392 9.976 1.00 0.00 C ATOM 1184 CG LYS A 77 -6.072 -9.060 11.155 1.00 0.00 C ATOM 1185 CD LYS A 77 -5.652 -10.312 11.906 1.00 0.00 C ATOM 1186 CE LYS A 77 -6.797 -10.876 12.733 1.00 0.00 C ATOM 1187 NZ LYS A 77 -6.314 -11.817 13.781 1.00 0.00 N ATOM 0 H LYS A 77 -8.328 -9.563 7.882 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.214 -7.345 9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.985 -9.555 10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.637 -10.329 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.186 -8.532 10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.595 -8.386 11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.309 -11.065 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.810 -10.081 12.558 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.343 -10.058 13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.499 -11.392 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.125 -12.179 14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.815 -12.611 13.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.664 -11.319 14.422 1.00 0.00 H new ATOM 1201 N GLY A 78 -5.286 -9.244 7.452 1.00 0.00 N ATOM 1202 CA GLY A 78 -4.010 -9.259 6.761 1.00 0.00 C ATOM 1203 C GLY A 78 -3.674 -7.921 6.134 1.00 0.00 C ATOM 1204 O GLY A 78 -2.511 -7.516 6.100 1.00 0.00 O ATOM 0 H GLY A 78 -5.869 -10.066 7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.223 -9.535 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.029 -10.025 5.986 1.00 0.00 H new ATOM 1208 N HIS A 79 -4.694 -7.231 5.633 1.00 0.00 N ATOM 1209 CA HIS A 79 -4.502 -5.931 5.001 1.00 0.00 C ATOM 1210 C HIS A 79 -4.135 -4.873 6.038 1.00 0.00 C ATOM 1211 O HIS A 79 -3.326 -3.982 5.772 1.00 0.00 O ATOM 1212 CB HIS A 79 -5.767 -5.511 4.252 1.00 0.00 C ATOM 1213 CG HIS A 79 -5.554 -4.366 3.310 1.00 0.00 C ATOM 1214 ND1 HIS A 79 -5.194 -3.103 3.730 1.00 0.00 N ATOM 1215 CD2 HIS A 79 -5.649 -4.300 1.962 1.00 0.00 C ATOM 1216 CE1 HIS A 79 -5.080 -2.309 2.680 1.00 0.00 C ATOM 1217 NE2 HIS A 79 -5.350 -3.011 1.595 1.00 0.00 N ATOM 0 H HIS A 79 -5.662 -7.551 5.653 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.681 -6.018 4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.148 -6.365 3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.534 -5.237 4.976 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.911 -5.110 1.298 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.812 -1.263 2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.338 -2.654 0.640 1.00 0.00 H new ATOM 1225 N LEU A 80 -4.735 -4.975 7.218 1.00 0.00 N ATOM 1226 CA LEU A 80 -4.472 -4.027 8.295 1.00 0.00 C ATOM 1227 C LEU A 80 -3.006 -4.071 8.714 1.00 0.00 C ATOM 1228 O LEU A 80 -2.392 -3.036 8.972 1.00 0.00 O ATOM 1229 CB LEU A 80 -5.368 -4.330 9.498 1.00 0.00 C ATOM 1230 CG LEU A 80 -4.925 -3.729 10.832 1.00 0.00 C ATOM 1231 CD1 LEU A 80 -4.968 -2.210 10.774 1.00 0.00 C ATOM 1232 CD2 LEU A 80 -5.799 -4.245 11.966 1.00 0.00 C ATOM 0 H LEU A 80 -5.407 -5.705 7.454 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.695 -3.026 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.373 -3.971 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.434 -5.412 9.614 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.897 -4.036 11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.649 -1.800 11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.300 -1.857 9.988 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.985 -1.883 10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.469 -3.807 12.908 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.837 -3.968 11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.718 -5.330 12.023 1.00 0.00 H new ATOM 1244 N LYS A 81 -2.451 -5.276 8.778 1.00 0.00 N ATOM 1245 CA LYS A 81 -1.056 -5.456 9.162 1.00 0.00 C ATOM 1246 C LYS A 81 -0.123 -4.812 8.142 1.00 0.00 C ATOM 1247 O LYS A 81 0.666 -3.929 8.478 1.00 0.00 O ATOM 1248 CB LYS A 81 -0.731 -6.946 9.296 1.00 0.00 C ATOM 1249 CG LYS A 81 0.698 -7.220 9.733 1.00 0.00 C ATOM 1250 CD LYS A 81 0.850 -8.623 10.297 1.00 0.00 C ATOM 1251 CE LYS A 81 1.183 -9.629 9.206 1.00 0.00 C ATOM 1252 NZ LYS A 81 2.621 -9.573 8.822 1.00 0.00 N ATOM 0 H LYS A 81 -2.946 -6.143 8.569 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.905 -4.969 10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.415 -7.395 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.910 -7.436 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.370 -7.094 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.995 -6.490 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.636 -8.630 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.073 -8.918 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.938 -10.634 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.565 -9.433 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.809 -10.273 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.849 -8.622 8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.211 -9.785 9.652 1.00 0.00 H new ATOM 1266 N VAL A 82 -0.220 -5.258 6.893 1.00 0.00 N ATOM 1267 CA VAL A 82 0.613 -4.722 5.824 1.00 0.00 C ATOM 1268 C VAL A 82 0.497 -3.204 5.744 1.00 0.00 C ATOM 1269 O VAL A 82 1.445 -2.517 5.362 1.00 0.00 O ATOM 1270 CB VAL A 82 0.233 -5.328 4.459 1.00 0.00 C ATOM 1271 CG1 VAL A 82 -1.235 -5.073 4.152 1.00 0.00 C ATOM 1272 CG2 VAL A 82 1.122 -4.765 3.361 1.00 0.00 C ATOM 0 H VAL A 82 -0.867 -5.989 6.597 1.00 0.00 H new ATOM 0 HA VAL A 82 1.642 -4.992 6.060 1.00 0.00 H new ATOM 0 HB VAL A 82 0.388 -6.406 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.485 -5.508 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.853 -5.529 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.420 -3.999 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.840 -5.204 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.001 -3.683 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.163 -5.005 3.577 1.00 0.00 H new ATOM 1282 N HIS A 83 -0.672 -2.686 6.106 1.00 0.00 N ATOM 1283 CA HIS A 83 -0.913 -1.248 6.077 1.00 0.00 C ATOM 1284 C HIS A 83 -0.002 -0.524 7.063 1.00 0.00 C ATOM 1285 O HIS A 83 0.547 0.534 6.754 1.00 0.00 O ATOM 1286 CB HIS A 83 -2.377 -0.948 6.402 1.00 0.00 C ATOM 1287 CG HIS A 83 -2.580 0.368 7.090 1.00 0.00 C ATOM 1288 ND1 HIS A 83 -2.945 1.517 6.422 1.00 0.00 N ATOM 1289 CD2 HIS A 83 -2.469 0.711 8.394 1.00 0.00 C ATOM 1290 CE1 HIS A 83 -3.048 2.512 7.285 1.00 0.00 C ATOM 1291 NE2 HIS A 83 -2.764 2.049 8.489 1.00 0.00 N ATOM 0 H HIS A 83 -1.467 -3.241 6.423 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.690 -0.888 5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.955 -0.959 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.771 -1.744 7.034 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -3.110 1.588 5.418 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.199 0.055 9.208 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.318 3.530 7.047 1.00 0.00 H new ATOM 1299 N ILE A 84 0.154 -1.101 8.250 1.00 0.00 N ATOM 1300 CA ILE A 84 0.999 -0.510 9.281 1.00 0.00 C ATOM 1301 C ILE A 84 2.476 -0.682 8.945 1.00 0.00 C ATOM 1302 O ILE A 84 3.327 0.049 9.452 1.00 0.00 O ATOM 1303 CB ILE A 84 0.722 -1.134 10.662 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.767 -1.032 11.002 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.563 -0.451 11.730 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.150 -1.773 12.264 1.00 0.00 C ATOM 0 H ILE A 84 -0.293 -1.977 8.522 1.00 0.00 H new ATOM 0 HA ILE A 84 0.758 0.552 9.317 1.00 0.00 H new ATOM 0 HB ILE A 84 0.997 -2.188 10.630 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.035 0.019 11.111 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.350 -1.425 10.169 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.356 -0.903 12.700 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.620 -0.570 11.492 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.316 0.610 11.764 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.219 -1.658 12.444 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.913 -2.831 12.151 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.594 -1.365 13.108 1.00 0.00 H new ATOM 1318 N GLU A 85 2.774 -1.652 8.086 1.00 0.00 N ATOM 1319 CA GLU A 85 4.149 -1.918 7.683 1.00 0.00 C ATOM 1320 C GLU A 85 4.492 -1.176 6.394 1.00 0.00 C ATOM 1321 O GLU A 85 5.661 -0.924 6.102 1.00 0.00 O ATOM 1322 CB GLU A 85 4.366 -3.421 7.492 1.00 0.00 C ATOM 1323 CG GLU A 85 4.241 -4.222 8.776 1.00 0.00 C ATOM 1324 CD GLU A 85 4.841 -5.610 8.659 1.00 0.00 C ATOM 1325 OE1 GLU A 85 4.889 -6.143 7.532 1.00 0.00 O ATOM 1326 OE2 GLU A 85 5.264 -6.162 9.697 1.00 0.00 O ATOM 0 H GLU A 85 2.082 -2.266 7.656 1.00 0.00 H new ATOM 0 HA GLU A 85 4.808 -1.560 8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.642 -3.795 6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.356 -3.585 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.735 -3.684 9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.188 -4.307 9.046 1.00 0.00 H new ATOM 1333 N ARG A 86 3.463 -0.829 5.627 1.00 0.00 N ATOM 1334 CA ARG A 86 3.654 -0.118 4.369 1.00 0.00 C ATOM 1335 C ARG A 86 3.350 1.369 4.533 1.00 0.00 C ATOM 1336 O ARG A 86 3.849 2.203 3.777 1.00 0.00 O ATOM 1337 CB ARG A 86 2.760 -0.714 3.280 1.00 0.00 C ATOM 1338 CG ARG A 86 3.192 -2.100 2.829 1.00 0.00 C ATOM 1339 CD ARG A 86 2.624 -2.443 1.461 1.00 0.00 C ATOM 1340 NE ARG A 86 3.351 -3.539 0.825 1.00 0.00 N ATOM 1341 CZ ARG A 86 4.482 -3.375 0.149 1.00 0.00 C ATOM 1342 NH1 ARG A 86 5.013 -2.167 0.021 1.00 0.00 N ATOM 1343 NH2 ARG A 86 5.085 -4.421 -0.401 1.00 0.00 N ATOM 0 H ARG A 86 2.489 -1.029 5.855 1.00 0.00 H new ATOM 0 HA ARG A 86 4.697 -0.228 4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.736 -0.764 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.756 -0.046 2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.280 -2.150 2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.861 -2.840 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.574 -2.716 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.664 -1.562 0.821 1.00 0.00 H new ATOM 0 HE ARG A 86 2.969 -4.481 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.553 -1.360 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.882 -2.044 -0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.680 -5.352 -0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.954 -4.294 -0.920 1.00 0.00 H new ATOM 1357 N VAL A 87 2.528 1.693 5.527 1.00 0.00 N ATOM 1358 CA VAL A 87 2.158 3.078 5.791 1.00 0.00 C ATOM 1359 C VAL A 87 2.930 3.636 6.981 1.00 0.00 C ATOM 1360 O VAL A 87 3.724 4.567 6.840 1.00 0.00 O ATOM 1361 CB VAL A 87 0.648 3.214 6.064 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.265 4.676 6.233 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.155 2.570 4.944 1.00 0.00 C ATOM 0 H VAL A 87 2.106 1.015 6.162 1.00 0.00 H new ATOM 0 HA VAL A 87 2.411 3.648 4.897 1.00 0.00 H new ATOM 0 HB VAL A 87 0.416 2.693 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.805 4.752 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.815 5.102 7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.510 5.224 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.220 2.675 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.080 3.061 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.099 1.512 4.876 1.00 0.00 H new ATOM 1373 N HIS A 88 2.693 3.060 8.156 1.00 0.00 N ATOM 1374 CA HIS A 88 3.368 3.499 9.373 1.00 0.00 C ATOM 1375 C HIS A 88 4.842 3.109 9.347 1.00 0.00 C ATOM 1376 O HIS A 88 5.625 3.541 10.193 1.00 0.00 O ATOM 1377 CB HIS A 88 2.690 2.895 10.603 1.00 0.00 C ATOM 1378 CG HIS A 88 1.296 3.396 10.825 1.00 0.00 C ATOM 1379 ND1 HIS A 88 0.999 4.726 11.037 1.00 0.00 N ATOM 1380 CD2 HIS A 88 0.114 2.737 10.865 1.00 0.00 C ATOM 1381 CE1 HIS A 88 -0.305 4.863 11.200 1.00 0.00 C ATOM 1382 NE2 HIS A 88 -0.865 3.671 11.100 1.00 0.00 N ATOM 0 H HIS A 88 2.039 2.289 8.291 1.00 0.00 H new ATOM 0 HA HIS A 88 3.299 4.586 9.426 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.665 1.810 10.498 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.292 3.116 11.485 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.680 5.485 11.064 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.032 1.675 10.736 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.825 5.792 11.384 1.00 0.00 H new ATOM 1390 N LYS A 89 5.216 2.288 8.371 1.00 0.00 N ATOM 1391 CA LYS A 89 6.596 1.840 8.233 1.00 0.00 C ATOM 1392 C LYS A 89 7.054 1.925 6.781 1.00 0.00 C ATOM 1393 O LYS A 89 7.201 0.906 6.105 1.00 0.00 O ATOM 1394 CB LYS A 89 6.740 0.403 8.741 1.00 0.00 C ATOM 1395 CG LYS A 89 6.235 0.206 10.160 1.00 0.00 C ATOM 1396 CD LYS A 89 7.294 0.574 11.185 1.00 0.00 C ATOM 1397 CE LYS A 89 7.073 -0.155 12.502 1.00 0.00 C ATOM 1398 NZ LYS A 89 7.897 0.421 13.600 1.00 0.00 N ATOM 0 H LYS A 89 4.581 1.919 7.663 1.00 0.00 H new ATOM 0 HA LYS A 89 7.226 2.497 8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.195 -0.265 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.790 0.114 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.346 0.816 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.937 -0.833 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.281 0.329 10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.277 1.650 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.019 -0.103 12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.318 -1.210 12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.718 -0.103 14.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.905 0.348 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.645 1.421 13.735 1.00 0.00 H new ATOM 1412 N LYS A 90 7.280 3.145 6.307 1.00 0.00 N ATOM 1413 CA LYS A 90 7.724 3.364 4.936 1.00 0.00 C ATOM 1414 C LYS A 90 9.233 3.173 4.816 1.00 0.00 C ATOM 1415 O LYS A 90 9.917 3.960 4.161 1.00 0.00 O ATOM 1416 CB LYS A 90 7.339 4.771 4.471 1.00 0.00 C ATOM 1417 CG LYS A 90 5.917 4.869 3.945 1.00 0.00 C ATOM 1418 CD LYS A 90 5.831 4.443 2.489 1.00 0.00 C ATOM 1419 CE LYS A 90 4.709 5.168 1.762 1.00 0.00 C ATOM 1420 NZ LYS A 90 5.088 6.565 1.410 1.00 0.00 N ATOM 0 H LYS A 90 7.163 3.999 6.853 1.00 0.00 H new ATOM 0 HA LYS A 90 7.230 2.630 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.459 5.465 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.029 5.088 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.261 4.241 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.560 5.894 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.780 4.647 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.667 3.367 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.452 4.622 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.818 5.181 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.229 7.141 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.679 6.965 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.621 6.566 0.517 1.00 0.00 H new ATOM 1434 N ILE A 91 9.744 2.123 5.450 1.00 0.00 N ATOM 1435 CA ILE A 91 11.171 1.829 5.411 1.00 0.00 C ATOM 1436 C ILE A 91 11.455 0.599 4.555 1.00 0.00 C ATOM 1437 O ILE A 91 11.634 -0.504 5.073 1.00 0.00 O ATOM 1438 CB ILE A 91 11.737 1.599 6.824 1.00 0.00 C ATOM 1439 CG1 ILE A 91 11.475 2.821 7.707 1.00 0.00 C ATOM 1440 CG2 ILE A 91 13.227 1.298 6.756 1.00 0.00 C ATOM 1441 CD1 ILE A 91 10.119 2.801 8.379 1.00 0.00 C ATOM 0 H ILE A 91 9.191 1.462 5.996 1.00 0.00 H new ATOM 0 HA ILE A 91 11.660 2.697 4.970 1.00 0.00 H new ATOM 0 HB ILE A 91 11.233 0.740 7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.250 2.880 8.472 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.557 3.722 7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 91 13.612 1.138 7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.390 0.401 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.748 2.139 6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.002 3.697 8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.337 2.774 7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.040 1.918 9.013 1.00 0.00 H new ATOM 1453 N LYS A 92 11.497 0.795 3.242 1.00 0.00 N ATOM 1454 CA LYS A 92 11.762 -0.297 2.313 1.00 0.00 C ATOM 1455 C LYS A 92 13.231 -0.317 1.902 1.00 0.00 C ATOM 1456 O LYS A 92 13.601 -1.097 1.026 1.00 0.00 O ATOM 1457 CB LYS A 92 10.877 -0.164 1.072 1.00 0.00 C ATOM 1458 CG LYS A 92 11.030 1.166 0.354 1.00 0.00 C ATOM 1459 CD LYS A 92 10.345 1.150 -1.002 1.00 0.00 C ATOM 1460 CE LYS A 92 11.192 0.438 -2.046 1.00 0.00 C ATOM 1461 NZ LYS A 92 12.221 1.339 -2.634 1.00 0.00 N ATOM 0 H LYS A 92 11.351 1.701 2.797 1.00 0.00 H new ATOM 0 HA LYS A 92 11.531 -1.235 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.115 -0.971 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.835 -0.292 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.607 1.962 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.089 1.391 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.378 0.654 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.151 2.173 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.681 -0.423 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.548 0.057 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.777 0.816 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.754 2.148 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.852 1.683 -1.882 1.00 0.00 H new TER 1475 LYS A 92 HETATM 1476 ZN ZN A 101 -8.695 17.958 8.728 1.00 0.00 ZN HETATM 1477 ZN ZN A 102 -20.098 3.255 6.983 1.00 0.00 ZN HETATM 1478 ZN ZN A 103 -2.589 2.841 10.351 1.00 0.00 ZN