USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 492 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 42 HIS HD1 : A 42 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 47 GLN : amide:sc= -2.58 K(o=-2.6,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ -150:sc= 0.00458 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 32:sc= 0.66 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.384 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 129:sc= 1.43 USER MOD Single : A 52 SER OG : rot 120:sc= -0.0168 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.1!) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0418 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0285) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000683) USER MOD Single : A 67 ASN : amide:sc= -2.56! C(o=-2.6!,f=-2.3!) USER MOD Single : A 68 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.161 -11.477 -17.495 1.00 0.00 N ATOM 2 CA GLY A 1 -19.568 -11.606 -17.163 1.00 0.00 C ATOM 3 C GLY A 1 -19.804 -12.543 -15.995 1.00 0.00 C ATOM 4 O GLY A 1 -19.043 -12.543 -15.027 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.983 -10.532 -17.891 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.588 -11.606 -16.636 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.902 -12.201 -18.196 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.973 -10.623 -16.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.112 -11.972 -18.034 1.00 0.00 H new ATOM 8 N SER A 2 -20.863 -13.342 -16.083 1.00 0.00 N ATOM 9 CA SER A 2 -21.200 -14.283 -15.022 1.00 0.00 C ATOM 10 C SER A 2 -21.196 -15.716 -15.546 1.00 0.00 C ATOM 11 O SER A 2 -22.230 -16.242 -15.957 1.00 0.00 O ATOM 12 CB SER A 2 -22.572 -13.949 -14.432 1.00 0.00 C ATOM 13 OG SER A 2 -22.868 -14.783 -13.325 1.00 0.00 O ATOM 0 H SER A 2 -21.502 -13.356 -16.878 1.00 0.00 H new ATOM 0 HA SER A 2 -20.445 -14.197 -14.241 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.593 -12.905 -14.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.339 -14.069 -15.197 1.00 0.00 H new ATOM 0 HG SER A 2 -23.749 -14.549 -12.965 1.00 0.00 H new ATOM 19 N SER A 3 -20.023 -16.342 -15.528 1.00 0.00 N ATOM 20 CA SER A 3 -19.881 -17.713 -16.004 1.00 0.00 C ATOM 21 C SER A 3 -20.707 -18.673 -15.153 1.00 0.00 C ATOM 22 O SER A 3 -21.454 -19.498 -15.676 1.00 0.00 O ATOM 23 CB SER A 3 -18.410 -18.133 -15.984 1.00 0.00 C ATOM 24 OG SER A 3 -18.246 -19.440 -16.506 1.00 0.00 O ATOM 0 H SER A 3 -19.158 -15.921 -15.189 1.00 0.00 H new ATOM 0 HA SER A 3 -20.250 -17.755 -17.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.819 -17.428 -16.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.032 -18.096 -14.962 1.00 0.00 H new ATOM 0 HG SER A 3 -17.297 -19.684 -16.484 1.00 0.00 H new ATOM 30 N GLY A 4 -20.567 -18.556 -13.836 1.00 0.00 N ATOM 31 CA GLY A 4 -21.305 -19.419 -12.932 1.00 0.00 C ATOM 32 C GLY A 4 -20.510 -20.641 -12.518 1.00 0.00 C ATOM 33 O GLY A 4 -21.002 -21.766 -12.598 1.00 0.00 O ATOM 0 H GLY A 4 -19.956 -17.879 -13.379 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.586 -18.854 -12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.230 -19.737 -13.413 1.00 0.00 H new ATOM 37 N SER A 5 -19.276 -20.420 -12.075 1.00 0.00 N ATOM 38 CA SER A 5 -18.409 -21.514 -11.652 1.00 0.00 C ATOM 39 C SER A 5 -18.619 -21.833 -10.175 1.00 0.00 C ATOM 40 O SER A 5 -18.728 -20.933 -9.342 1.00 0.00 O ATOM 41 CB SER A 5 -16.943 -21.157 -11.904 1.00 0.00 C ATOM 42 OG SER A 5 -16.532 -20.079 -11.082 1.00 0.00 O ATOM 0 H SER A 5 -18.855 -19.494 -12.000 1.00 0.00 H new ATOM 0 HA SER A 5 -18.667 -22.397 -12.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.315 -22.027 -11.710 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.805 -20.892 -12.952 1.00 0.00 H new ATOM 0 HG SER A 5 -15.591 -19.871 -11.261 1.00 0.00 H new ATOM 48 N SER A 6 -18.676 -23.123 -9.857 1.00 0.00 N ATOM 49 CA SER A 6 -18.877 -23.563 -8.482 1.00 0.00 C ATOM 50 C SER A 6 -17.680 -24.371 -7.989 1.00 0.00 C ATOM 51 O SER A 6 -17.636 -25.591 -8.138 1.00 0.00 O ATOM 52 CB SER A 6 -20.152 -24.402 -8.373 1.00 0.00 C ATOM 53 OG SER A 6 -21.302 -23.577 -8.320 1.00 0.00 O ATOM 0 H SER A 6 -18.586 -23.881 -10.533 1.00 0.00 H new ATOM 0 HA SER A 6 -18.979 -22.677 -7.855 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.222 -25.075 -9.228 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.106 -25.025 -7.480 1.00 0.00 H new ATOM 0 HG SER A 6 -22.103 -24.137 -8.252 1.00 0.00 H new ATOM 59 N GLY A 7 -16.708 -23.679 -7.401 1.00 0.00 N ATOM 60 CA GLY A 7 -15.523 -24.347 -6.896 1.00 0.00 C ATOM 61 C GLY A 7 -15.673 -24.778 -5.450 1.00 0.00 C ATOM 62 O GLY A 7 -16.788 -24.960 -4.960 1.00 0.00 O ATOM 0 H GLY A 7 -16.721 -22.668 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.312 -25.221 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.667 -23.679 -6.986 1.00 0.00 H new ATOM 66 N THR A 8 -14.546 -24.944 -4.764 1.00 0.00 N ATOM 67 CA THR A 8 -14.556 -25.359 -3.367 1.00 0.00 C ATOM 68 C THR A 8 -14.214 -24.194 -2.445 1.00 0.00 C ATOM 69 O THR A 8 -14.894 -23.960 -1.447 1.00 0.00 O ATOM 70 CB THR A 8 -13.561 -26.507 -3.115 1.00 0.00 C ATOM 71 OG1 THR A 8 -12.273 -26.164 -3.639 1.00 0.00 O ATOM 72 CG2 THR A 8 -14.048 -27.797 -3.759 1.00 0.00 C ATOM 0 H THR A 8 -13.615 -24.797 -5.154 1.00 0.00 H new ATOM 0 HA THR A 8 -15.565 -25.708 -3.148 1.00 0.00 H new ATOM 0 HB THR A 8 -13.486 -26.662 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.646 -26.899 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.329 -28.593 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.015 -28.072 -3.337 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.150 -27.651 -4.834 1.00 0.00 H new ATOM 80 N GLY A 9 -13.156 -23.466 -2.786 1.00 0.00 N ATOM 81 CA GLY A 9 -12.743 -22.333 -1.978 1.00 0.00 C ATOM 82 C GLY A 9 -11.581 -21.577 -2.591 1.00 0.00 C ATOM 83 O GLY A 9 -11.421 -21.553 -3.812 1.00 0.00 O ATOM 0 H GLY A 9 -12.577 -23.640 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.587 -21.655 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.462 -22.682 -0.985 1.00 0.00 H new ATOM 87 N LEU A 10 -10.769 -20.955 -1.743 1.00 0.00 N ATOM 88 CA LEU A 10 -9.616 -20.192 -2.208 1.00 0.00 C ATOM 89 C LEU A 10 -8.347 -20.624 -1.479 1.00 0.00 C ATOM 90 O LEU A 10 -8.321 -20.702 -0.251 1.00 0.00 O ATOM 91 CB LEU A 10 -9.852 -18.696 -2.000 1.00 0.00 C ATOM 92 CG LEU A 10 -10.722 -18.002 -3.049 1.00 0.00 C ATOM 93 CD1 LEU A 10 -11.407 -16.782 -2.452 1.00 0.00 C ATOM 94 CD2 LEU A 10 -9.887 -17.608 -4.259 1.00 0.00 C ATOM 0 H LEU A 10 -10.888 -20.964 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.487 -20.389 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.313 -18.554 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.884 -18.196 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.491 -18.702 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.022 -16.301 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.037 -17.090 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.653 -16.079 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.523 -17.116 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.096 -16.926 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.444 -18.500 -4.701 1.00 0.00 H new ATOM 106 N ARG A 11 -7.297 -20.902 -2.244 1.00 0.00 N ATOM 107 CA ARG A 11 -6.024 -21.324 -1.671 1.00 0.00 C ATOM 108 C ARG A 11 -5.757 -20.606 -0.352 1.00 0.00 C ATOM 109 O ARG A 11 -6.061 -19.424 -0.187 1.00 0.00 O ATOM 110 CB ARG A 11 -4.883 -21.052 -2.653 1.00 0.00 C ATOM 111 CG ARG A 11 -4.598 -22.213 -3.592 1.00 0.00 C ATOM 112 CD ARG A 11 -5.652 -22.320 -4.682 1.00 0.00 C ATOM 113 NE ARG A 11 -6.866 -22.977 -4.206 1.00 0.00 N ATOM 114 CZ ARG A 11 -7.792 -23.485 -5.013 1.00 0.00 C ATOM 115 NH1 ARG A 11 -7.642 -23.411 -6.328 1.00 0.00 N ATOM 116 NH2 ARG A 11 -8.869 -24.068 -4.504 1.00 0.00 N ATOM 0 H ARG A 11 -7.302 -20.843 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.079 -22.395 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.126 -20.169 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.979 -20.820 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.616 -22.082 -4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.565 -23.142 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.899 -21.323 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.245 -22.877 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.011 -23.050 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.815 -22.964 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.354 -23.802 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.987 -24.127 -3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.579 -24.458 -5.124 1.00 0.00 H new ATOM 130 N PRO A 12 -5.175 -21.335 0.612 1.00 0.00 N ATOM 131 CA PRO A 12 -4.854 -20.789 1.934 1.00 0.00 C ATOM 132 C PRO A 12 -3.718 -19.773 1.881 1.00 0.00 C ATOM 133 O PRO A 12 -3.283 -19.260 2.911 1.00 0.00 O ATOM 134 CB PRO A 12 -4.432 -22.023 2.735 1.00 0.00 C ATOM 135 CG PRO A 12 -3.949 -22.992 1.712 1.00 0.00 C ATOM 136 CD PRO A 12 -4.786 -22.750 0.485 1.00 0.00 C ATOM 0 HA PRO A 12 -5.696 -20.250 2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.648 -21.780 3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.268 -22.431 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.891 -22.840 1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.059 -24.018 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.221 -22.931 -0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.657 -23.405 0.457 1.00 0.00 H new ATOM 144 N SER A 13 -3.242 -19.487 0.673 1.00 0.00 N ATOM 145 CA SER A 13 -2.153 -18.535 0.486 1.00 0.00 C ATOM 146 C SER A 13 -2.224 -17.419 1.524 1.00 0.00 C ATOM 147 O SER A 13 -1.332 -17.274 2.358 1.00 0.00 O ATOM 148 CB SER A 13 -2.204 -17.941 -0.923 1.00 0.00 C ATOM 149 OG SER A 13 -1.988 -18.939 -1.905 1.00 0.00 O ATOM 0 H SER A 13 -3.593 -19.901 -0.191 1.00 0.00 H new ATOM 0 HA SER A 13 -1.211 -19.067 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.172 -17.469 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.448 -17.161 -1.020 1.00 0.00 H new ATOM 0 HG SER A 13 -2.027 -18.534 -2.797 1.00 0.00 H new ATOM 155 N GLY A 14 -3.294 -16.631 1.465 1.00 0.00 N ATOM 156 CA GLY A 14 -3.463 -15.538 2.404 1.00 0.00 C ATOM 157 C GLY A 14 -4.256 -14.387 1.818 1.00 0.00 C ATOM 158 O GLY A 14 -4.591 -14.394 0.633 1.00 0.00 O ATOM 0 H GLY A 14 -4.046 -16.731 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.968 -15.905 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.483 -15.178 2.717 1.00 0.00 H new ATOM 162 N THR A 15 -4.561 -13.396 2.649 1.00 0.00 N ATOM 163 CA THR A 15 -5.322 -12.234 2.207 1.00 0.00 C ATOM 164 C THR A 15 -4.775 -10.951 2.822 1.00 0.00 C ATOM 165 O THR A 15 -4.342 -10.938 3.974 1.00 0.00 O ATOM 166 CB THR A 15 -6.813 -12.369 2.572 1.00 0.00 C ATOM 167 OG1 THR A 15 -6.950 -12.715 3.954 1.00 0.00 O ATOM 168 CG2 THR A 15 -7.488 -13.425 1.709 1.00 0.00 C ATOM 0 H THR A 15 -4.293 -13.375 3.633 1.00 0.00 H new ATOM 0 HA THR A 15 -5.222 -12.184 1.123 1.00 0.00 H new ATOM 0 HB THR A 15 -7.297 -11.410 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.901 -12.797 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.540 -13.502 1.985 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.408 -13.143 0.659 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.000 -14.388 1.864 1.00 0.00 H new ATOM 176 N VAL A 16 -4.797 -9.872 2.046 1.00 0.00 N ATOM 177 CA VAL A 16 -4.305 -8.583 2.515 1.00 0.00 C ATOM 178 C VAL A 16 -4.766 -8.304 3.941 1.00 0.00 C ATOM 179 O VAL A 16 -5.820 -8.776 4.367 1.00 0.00 O ATOM 180 CB VAL A 16 -4.776 -7.436 1.601 1.00 0.00 C ATOM 181 CG1 VAL A 16 -4.100 -7.524 0.242 1.00 0.00 C ATOM 182 CG2 VAL A 16 -6.290 -7.459 1.455 1.00 0.00 C ATOM 0 H VAL A 16 -5.151 -9.866 1.089 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.216 -8.633 2.492 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.492 -6.489 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.445 -6.706 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.020 -7.454 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.350 -8.475 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.605 -6.642 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.599 -8.409 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.752 -7.343 2.435 1.00 0.00 H new ATOM 192 N SER A 17 -3.969 -7.534 4.675 1.00 0.00 N ATOM 193 CA SER A 17 -4.293 -7.194 6.055 1.00 0.00 C ATOM 194 C SER A 17 -3.750 -5.815 6.417 1.00 0.00 C ATOM 195 O SER A 17 -2.538 -5.597 6.433 1.00 0.00 O ATOM 196 CB SER A 17 -3.723 -8.246 7.009 1.00 0.00 C ATOM 197 OG SER A 17 -2.308 -8.277 6.946 1.00 0.00 O ATOM 0 H SER A 17 -3.094 -7.134 4.337 1.00 0.00 H new ATOM 0 HA SER A 17 -5.378 -7.175 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.040 -8.027 8.029 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.123 -9.227 6.755 1.00 0.00 H new ATOM 0 HG SER A 17 -1.969 -7.378 6.752 1.00 0.00 H new ATOM 203 N CYS A 18 -4.655 -4.887 6.707 1.00 0.00 N ATOM 204 CA CYS A 18 -4.270 -3.528 7.069 1.00 0.00 C ATOM 205 C CYS A 18 -4.349 -3.324 8.579 1.00 0.00 C ATOM 206 O CYS A 18 -5.411 -3.438 9.192 1.00 0.00 O ATOM 207 CB CYS A 18 -5.169 -2.514 6.359 1.00 0.00 C ATOM 208 SG CYS A 18 -4.846 -0.782 6.821 1.00 0.00 S ATOM 0 H CYS A 18 -5.662 -5.051 6.698 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.239 -3.373 6.752 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.040 -2.622 5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.210 -2.750 6.580 1.00 0.00 H new ATOM 213 N PRO A 19 -3.198 -3.015 9.196 1.00 0.00 N ATOM 214 CA PRO A 19 -3.110 -2.788 10.641 1.00 0.00 C ATOM 215 C PRO A 19 -3.799 -1.496 11.068 1.00 0.00 C ATOM 216 O PRO A 19 -4.053 -1.280 12.253 1.00 0.00 O ATOM 217 CB PRO A 19 -1.604 -2.699 10.895 1.00 0.00 C ATOM 218 CG PRO A 19 -1.025 -2.258 9.596 1.00 0.00 C ATOM 219 CD PRO A 19 -1.894 -2.863 8.528 1.00 0.00 C ATOM 0 HA PRO A 19 -3.606 -3.576 11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.378 -1.989 11.690 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.197 -3.662 11.203 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.016 -1.171 9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.007 -2.593 9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.964 -2.217 7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.503 -3.821 8.187 1.00 0.00 H new ATOM 227 N ILE A 20 -4.100 -0.642 10.095 1.00 0.00 N ATOM 228 CA ILE A 20 -4.761 0.627 10.371 1.00 0.00 C ATOM 229 C ILE A 20 -6.230 0.417 10.723 1.00 0.00 C ATOM 230 O ILE A 20 -6.689 0.826 11.790 1.00 0.00 O ATOM 231 CB ILE A 20 -4.666 1.584 9.168 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.236 1.613 8.624 1.00 0.00 C ATOM 233 CG2 ILE A 20 -5.114 2.982 9.568 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.255 2.312 9.538 1.00 0.00 C ATOM 0 H ILE A 20 -3.897 -0.806 9.109 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.246 1.072 11.222 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.327 1.222 8.381 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.899 0.590 8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.235 2.111 7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.041 3.647 8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.147 2.948 9.914 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.475 3.354 10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.262 2.294 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.568 3.346 9.685 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.227 1.801 10.500 1.00 0.00 H new ATOM 246 N CYS A 21 -6.963 -0.226 9.820 1.00 0.00 N ATOM 247 CA CYS A 21 -8.380 -0.493 10.035 1.00 0.00 C ATOM 248 C CYS A 21 -8.606 -1.951 10.422 1.00 0.00 C ATOM 249 O CYS A 21 -9.742 -2.386 10.609 1.00 0.00 O ATOM 250 CB CYS A 21 -9.180 -0.159 8.775 1.00 0.00 C ATOM 251 SG CYS A 21 -8.625 -1.046 7.284 1.00 0.00 S ATOM 0 H CYS A 21 -6.599 -0.572 8.932 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.723 0.139 10.854 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.230 -0.391 8.953 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.117 0.914 8.591 1.00 0.00 H new ATOM 256 N MET A 22 -7.516 -2.702 10.541 1.00 0.00 N ATOM 257 CA MET A 22 -7.595 -4.111 10.908 1.00 0.00 C ATOM 258 C MET A 22 -8.821 -4.768 10.280 1.00 0.00 C ATOM 259 O MET A 22 -9.582 -5.459 10.958 1.00 0.00 O ATOM 260 CB MET A 22 -7.643 -4.263 12.429 1.00 0.00 C ATOM 261 CG MET A 22 -8.810 -3.534 13.076 1.00 0.00 C ATOM 262 SD MET A 22 -8.734 -3.561 14.877 1.00 0.00 S ATOM 263 CE MET A 22 -9.378 -1.936 15.268 1.00 0.00 C ATOM 0 H MET A 22 -6.568 -2.358 10.389 1.00 0.00 H new ATOM 0 HA MET A 22 -6.703 -4.610 10.529 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.704 -5.322 12.678 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.711 -3.889 12.853 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.823 -2.500 12.732 1.00 0.00 H new ATOM 0 HG3 MET A 22 -9.744 -3.990 12.749 1.00 0.00 H new ATOM 0 HE1 MET A 22 -9.393 -1.801 16.350 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.742 -1.174 14.817 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.391 -1.842 14.876 1.00 0.00 H new ATOM 273 N ASP A 23 -9.005 -4.549 8.983 1.00 0.00 N ATOM 274 CA ASP A 23 -10.138 -5.120 8.265 1.00 0.00 C ATOM 275 C ASP A 23 -9.664 -6.063 7.164 1.00 0.00 C ATOM 276 O ASP A 23 -8.521 -5.985 6.716 1.00 0.00 O ATOM 277 CB ASP A 23 -11.002 -4.009 7.665 1.00 0.00 C ATOM 278 CG ASP A 23 -12.071 -3.524 8.624 1.00 0.00 C ATOM 279 OD1 ASP A 23 -13.099 -4.218 8.766 1.00 0.00 O ATOM 280 OD2 ASP A 23 -11.879 -2.451 9.233 1.00 0.00 O ATOM 0 H ASP A 23 -8.384 -3.980 8.407 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.736 -5.691 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.365 -3.171 7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.475 -4.373 6.753 1.00 0.00 H new ATOM 285 N GLY A 24 -10.550 -6.956 6.733 1.00 0.00 N ATOM 286 CA GLY A 24 -10.203 -7.902 5.689 1.00 0.00 C ATOM 287 C GLY A 24 -10.044 -7.240 4.335 1.00 0.00 C ATOM 288 O GLY A 24 -9.793 -6.038 4.250 1.00 0.00 O ATOM 0 H GLY A 24 -11.502 -7.041 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.274 -8.406 5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.975 -8.669 5.627 1.00 0.00 H new ATOM 292 N TYR A 25 -10.190 -8.025 3.274 1.00 0.00 N ATOM 293 CA TYR A 25 -10.058 -7.508 1.917 1.00 0.00 C ATOM 294 C TYR A 25 -11.397 -6.998 1.395 1.00 0.00 C ATOM 295 O TYR A 25 -11.537 -5.824 1.053 1.00 0.00 O ATOM 296 CB TYR A 25 -9.515 -8.594 0.986 1.00 0.00 C ATOM 297 CG TYR A 25 -9.681 -8.271 -0.482 1.00 0.00 C ATOM 298 CD1 TYR A 25 -8.727 -7.524 -1.162 1.00 0.00 C ATOM 299 CD2 TYR A 25 -10.793 -8.713 -1.189 1.00 0.00 C ATOM 300 CE1 TYR A 25 -8.875 -7.227 -2.502 1.00 0.00 C ATOM 301 CE2 TYR A 25 -10.948 -8.422 -2.530 1.00 0.00 C ATOM 302 CZ TYR A 25 -9.987 -7.678 -3.182 1.00 0.00 C ATOM 303 OH TYR A 25 -10.139 -7.385 -4.518 1.00 0.00 O ATOM 0 H TYR A 25 -10.400 -9.022 3.327 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.357 -6.674 1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.457 -8.747 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.023 -9.534 1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.855 -7.170 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.549 -9.294 -0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.124 -6.645 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.817 -8.775 -3.065 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.975 -7.778 -4.846 1.00 0.00 H new ATOM 313 N SER A 26 -12.381 -7.890 1.337 1.00 0.00 N ATOM 314 CA SER A 26 -13.710 -7.533 0.854 1.00 0.00 C ATOM 315 C SER A 26 -14.131 -6.166 1.385 1.00 0.00 C ATOM 316 O SER A 26 -14.479 -5.271 0.615 1.00 0.00 O ATOM 317 CB SER A 26 -14.730 -8.592 1.274 1.00 0.00 C ATOM 318 OG SER A 26 -14.693 -8.810 2.674 1.00 0.00 O ATOM 0 H SER A 26 -12.283 -8.865 1.619 1.00 0.00 H new ATOM 0 HA SER A 26 -13.674 -7.486 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.730 -8.275 0.979 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.524 -9.526 0.752 1.00 0.00 H new ATOM 0 HG SER A 26 -15.356 -9.490 2.917 1.00 0.00 H new ATOM 324 N GLU A 27 -14.096 -6.014 2.705 1.00 0.00 N ATOM 325 CA GLU A 27 -14.476 -4.757 3.339 1.00 0.00 C ATOM 326 C GLU A 27 -13.778 -3.577 2.667 1.00 0.00 C ATOM 327 O GLU A 27 -14.430 -2.681 2.130 1.00 0.00 O ATOM 328 CB GLU A 27 -14.130 -4.787 4.829 1.00 0.00 C ATOM 329 CG GLU A 27 -15.240 -5.352 5.700 1.00 0.00 C ATOM 330 CD GLU A 27 -15.132 -6.854 5.880 1.00 0.00 C ATOM 331 OE1 GLU A 27 -14.616 -7.527 4.964 1.00 0.00 O ATOM 332 OE2 GLU A 27 -15.563 -7.356 6.940 1.00 0.00 O ATOM 0 H GLU A 27 -13.809 -6.745 3.356 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.553 -4.633 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.228 -5.383 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.899 -3.775 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.211 -4.870 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.205 -5.112 5.254 1.00 0.00 H new ATOM 339 N ILE A 28 -12.450 -3.584 2.704 1.00 0.00 N ATOM 340 CA ILE A 28 -11.664 -2.515 2.099 1.00 0.00 C ATOM 341 C ILE A 28 -12.128 -2.230 0.675 1.00 0.00 C ATOM 342 O ILE A 28 -12.429 -1.089 0.325 1.00 0.00 O ATOM 343 CB ILE A 28 -10.164 -2.862 2.078 1.00 0.00 C ATOM 344 CG1 ILE A 28 -9.636 -3.024 3.505 1.00 0.00 C ATOM 345 CG2 ILE A 28 -9.382 -1.788 1.337 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.268 -3.667 3.574 1.00 0.00 C ATOM 0 H ILE A 28 -11.896 -4.317 3.146 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.815 -1.627 2.712 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.032 -3.808 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.593 -2.044 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.341 -3.626 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.323 -2.048 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.744 -1.717 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.517 -0.829 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.957 -3.750 4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.310 -4.660 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.550 -3.054 3.029 1.00 0.00 H new ATOM 358 N VAL A 29 -12.187 -3.276 -0.143 1.00 0.00 N ATOM 359 CA VAL A 29 -12.617 -3.139 -1.529 1.00 0.00 C ATOM 360 C VAL A 29 -14.137 -3.189 -1.640 1.00 0.00 C ATOM 361 O VAL A 29 -14.681 -3.626 -2.654 1.00 0.00 O ATOM 362 CB VAL A 29 -12.012 -4.243 -2.417 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.537 -3.975 -2.671 1.00 0.00 C ATOM 364 CG2 VAL A 29 -12.213 -5.609 -1.778 1.00 0.00 C ATOM 0 H VAL A 29 -11.942 -4.228 0.130 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.261 -2.169 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.528 -4.237 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.127 -4.765 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.423 -3.015 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.002 -3.953 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.780 -6.377 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.724 -5.630 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.279 -5.799 -1.653 1.00 0.00 H new ATOM 374 N GLN A 30 -14.817 -2.739 -0.590 1.00 0.00 N ATOM 375 CA GLN A 30 -16.275 -2.733 -0.570 1.00 0.00 C ATOM 376 C GLN A 30 -16.817 -1.343 -0.888 1.00 0.00 C ATOM 377 O GLN A 30 -17.738 -0.861 -0.230 1.00 0.00 O ATOM 378 CB GLN A 30 -16.789 -3.194 0.794 1.00 0.00 C ATOM 379 CG GLN A 30 -18.133 -3.901 0.731 1.00 0.00 C ATOM 380 CD GLN A 30 -18.885 -3.846 2.046 1.00 0.00 C ATOM 381 OE1 GLN A 30 -19.814 -3.055 2.210 1.00 0.00 O ATOM 382 NE2 GLN A 30 -18.485 -4.688 2.992 1.00 0.00 N ATOM 0 H GLN A 30 -14.382 -2.374 0.257 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.627 -3.425 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.056 -3.865 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.873 -2.329 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.742 -3.446 -0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.978 -4.942 0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.710 -5.326 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -18.953 -4.696 3.898 1.00 0.00 H new ATOM 391 N ASN A 31 -16.240 -0.705 -1.901 1.00 0.00 N ATOM 392 CA ASN A 31 -16.666 0.630 -2.305 1.00 0.00 C ATOM 393 C ASN A 31 -16.345 1.655 -1.221 1.00 0.00 C ATOM 394 O ASN A 31 -17.151 2.537 -0.929 1.00 0.00 O ATOM 395 CB ASN A 31 -18.166 0.641 -2.605 1.00 0.00 C ATOM 396 CG ASN A 31 -18.562 1.770 -3.537 1.00 0.00 C ATOM 397 OD1 ASN A 31 -17.719 2.347 -4.223 1.00 0.00 O ATOM 398 ND2 ASN A 31 -19.850 2.091 -3.564 1.00 0.00 N ATOM 0 H ASN A 31 -15.477 -1.091 -2.457 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.120 0.900 -3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.451 -0.312 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.720 0.734 -1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.175 2.843 -4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.514 1.585 -2.978 1.00 0.00 H new ATOM 405 N GLY A 32 -15.161 1.531 -0.629 1.00 0.00 N ATOM 406 CA GLY A 32 -14.754 2.453 0.415 1.00 0.00 C ATOM 407 C GLY A 32 -13.313 2.899 0.266 1.00 0.00 C ATOM 408 O GLY A 32 -13.015 4.091 0.335 1.00 0.00 O ATOM 0 H GLY A 32 -14.477 0.809 -0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.405 3.327 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.885 1.977 1.387 1.00 0.00 H new ATOM 412 N ARG A 33 -12.416 1.939 0.061 1.00 0.00 N ATOM 413 CA ARG A 33 -10.998 2.239 -0.095 1.00 0.00 C ATOM 414 C ARG A 33 -10.342 1.266 -1.070 1.00 0.00 C ATOM 415 O ARG A 33 -10.830 0.155 -1.279 1.00 0.00 O ATOM 416 CB ARG A 33 -10.290 2.176 1.259 1.00 0.00 C ATOM 417 CG ARG A 33 -10.744 3.249 2.235 1.00 0.00 C ATOM 418 CD ARG A 33 -10.508 2.828 3.676 1.00 0.00 C ATOM 419 NE ARG A 33 -11.414 1.759 4.089 1.00 0.00 N ATOM 420 CZ ARG A 33 -11.483 1.293 5.331 1.00 0.00 C ATOM 421 NH1 ARG A 33 -10.704 1.799 6.277 1.00 0.00 N ATOM 422 NH2 ARG A 33 -12.333 0.318 5.629 1.00 0.00 N ATOM 0 H ARG A 33 -12.647 0.947 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.907 3.248 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.462 1.196 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.215 2.271 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.207 4.176 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.804 3.455 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.477 2.494 3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.640 3.689 4.332 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.027 1.348 3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.049 2.548 6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.759 1.439 7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.934 -0.074 4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.385 -0.039 6.583 1.00 0.00 H new ATOM 436 N LEU A 34 -9.233 1.692 -1.665 1.00 0.00 N ATOM 437 CA LEU A 34 -8.508 0.859 -2.619 1.00 0.00 C ATOM 438 C LEU A 34 -7.314 0.182 -1.954 1.00 0.00 C ATOM 439 O LEU A 34 -6.653 0.770 -1.098 1.00 0.00 O ATOM 440 CB LEU A 34 -8.036 1.701 -3.806 1.00 0.00 C ATOM 441 CG LEU A 34 -7.865 0.958 -5.131 1.00 0.00 C ATOM 442 CD1 LEU A 34 -9.219 0.552 -5.693 1.00 0.00 C ATOM 443 CD2 LEU A 34 -7.106 1.818 -6.131 1.00 0.00 C ATOM 0 H LEU A 34 -8.816 2.609 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.187 0.085 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.749 2.512 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.082 2.159 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.285 0.054 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.078 0.024 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.726 -0.102 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.824 1.442 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.994 1.273 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.659 2.740 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.121 2.058 -5.731 1.00 0.00 H new ATOM 455 N ILE A 35 -7.043 -1.055 -2.356 1.00 0.00 N ATOM 456 CA ILE A 35 -5.926 -1.810 -1.801 1.00 0.00 C ATOM 457 C ILE A 35 -4.594 -1.288 -2.329 1.00 0.00 C ATOM 458 O ILE A 35 -4.269 -1.459 -3.504 1.00 0.00 O ATOM 459 CB ILE A 35 -6.043 -3.310 -2.129 1.00 0.00 C ATOM 460 CG1 ILE A 35 -7.402 -3.849 -1.677 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.913 -4.086 -1.469 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.572 -3.875 -0.175 1.00 0.00 C ATOM 0 H ILE A 35 -7.581 -1.556 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.962 -1.679 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.964 -3.438 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.190 -3.236 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.531 -4.859 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.009 -5.145 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.955 -3.716 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.964 -3.954 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.558 -4.268 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.806 -4.512 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.475 -2.864 0.220 1.00 0.00 H new ATOM 474 N VAL A 36 -3.824 -0.652 -1.451 1.00 0.00 N ATOM 475 CA VAL A 36 -2.525 -0.108 -1.827 1.00 0.00 C ATOM 476 C VAL A 36 -1.391 -0.885 -1.167 1.00 0.00 C ATOM 477 O VAL A 36 -1.618 -1.676 -0.251 1.00 0.00 O ATOM 478 CB VAL A 36 -2.406 1.378 -1.441 1.00 0.00 C ATOM 479 CG1 VAL A 36 -3.414 2.214 -2.216 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.595 1.556 0.058 1.00 0.00 C ATOM 0 H VAL A 36 -4.078 -0.501 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.444 -0.203 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.406 1.724 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.315 3.261 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.227 2.111 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.423 1.870 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.508 2.612 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.582 1.194 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.831 0.990 0.591 1.00 0.00 H new ATOM 490 N SER A 37 -0.170 -0.654 -1.638 1.00 0.00 N ATOM 491 CA SER A 37 1.000 -1.335 -1.095 1.00 0.00 C ATOM 492 C SER A 37 2.148 -0.354 -0.880 1.00 0.00 C ATOM 493 O SER A 37 2.143 0.755 -1.416 1.00 0.00 O ATOM 494 CB SER A 37 1.443 -2.459 -2.034 1.00 0.00 C ATOM 495 OG SER A 37 1.920 -1.938 -3.263 1.00 0.00 O ATOM 0 H SER A 37 0.035 -0.001 -2.394 1.00 0.00 H new ATOM 0 HA SER A 37 0.726 -1.763 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.226 -3.048 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.606 -3.132 -2.221 1.00 0.00 H new ATOM 0 HG SER A 37 2.199 -2.676 -3.845 1.00 0.00 H new ATOM 501 N THR A 38 3.134 -0.771 -0.091 1.00 0.00 N ATOM 502 CA THR A 38 4.289 0.070 0.197 1.00 0.00 C ATOM 503 C THR A 38 5.592 -0.667 -0.094 1.00 0.00 C ATOM 504 O THR A 38 5.604 -1.889 -0.239 1.00 0.00 O ATOM 505 CB THR A 38 4.293 0.535 1.665 1.00 0.00 C ATOM 506 OG1 THR A 38 4.196 -0.596 2.538 1.00 0.00 O ATOM 507 CG2 THR A 38 3.139 1.489 1.934 1.00 0.00 C ATOM 0 H THR A 38 3.155 -1.686 0.360 1.00 0.00 H new ATOM 0 HA THR A 38 4.215 0.942 -0.453 1.00 0.00 H new ATOM 0 HB THR A 38 5.229 1.060 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.910 -0.555 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.163 1.804 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.232 2.363 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.195 0.985 1.729 1.00 0.00 H new ATOM 515 N GLU A 39 6.685 0.084 -0.178 1.00 0.00 N ATOM 516 CA GLU A 39 7.993 -0.500 -0.452 1.00 0.00 C ATOM 517 C GLU A 39 8.502 -1.284 0.754 1.00 0.00 C ATOM 518 O GLU A 39 8.951 -2.423 0.624 1.00 0.00 O ATOM 519 CB GLU A 39 8.996 0.593 -0.824 1.00 0.00 C ATOM 520 CG GLU A 39 9.147 1.669 0.238 1.00 0.00 C ATOM 521 CD GLU A 39 9.847 2.909 -0.282 1.00 0.00 C ATOM 522 OE1 GLU A 39 9.153 3.814 -0.790 1.00 0.00 O ATOM 523 OE2 GLU A 39 11.090 2.974 -0.181 1.00 0.00 O ATOM 0 H GLU A 39 6.691 1.097 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 39 7.887 -1.187 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.968 0.135 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.683 1.058 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.161 1.944 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.709 1.266 1.081 1.00 0.00 H new ATOM 530 N CYS A 40 8.430 -0.665 1.928 1.00 0.00 N ATOM 531 CA CYS A 40 8.884 -1.302 3.158 1.00 0.00 C ATOM 532 C CYS A 40 8.521 -2.784 3.169 1.00 0.00 C ATOM 533 O CYS A 40 9.285 -3.617 3.656 1.00 0.00 O ATOM 534 CB CYS A 40 8.269 -0.607 4.375 1.00 0.00 C ATOM 535 SG CYS A 40 6.476 -0.872 4.555 1.00 0.00 S ATOM 0 H CYS A 40 8.061 0.278 2.053 1.00 0.00 H new ATOM 0 HA CYS A 40 9.969 -1.211 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.770 -0.963 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.462 0.463 4.305 1.00 0.00 H new ATOM 540 N GLY A 41 7.350 -3.106 2.628 1.00 0.00 N ATOM 541 CA GLY A 41 6.906 -4.487 2.586 1.00 0.00 C ATOM 542 C GLY A 41 5.661 -4.721 3.417 1.00 0.00 C ATOM 543 O GLY A 41 5.517 -5.767 4.052 1.00 0.00 O ATOM 0 H GLY A 41 6.701 -2.435 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.708 -4.770 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.706 -5.134 2.946 1.00 0.00 H new ATOM 547 N HIS A 42 4.758 -3.746 3.416 1.00 0.00 N ATOM 548 CA HIS A 42 3.518 -3.851 4.177 1.00 0.00 C ATOM 549 C HIS A 42 2.316 -3.490 3.309 1.00 0.00 C ATOM 550 O HIS A 42 2.456 -2.830 2.280 1.00 0.00 O ATOM 551 CB HIS A 42 3.568 -2.939 5.403 1.00 0.00 C ATOM 552 CG HIS A 42 4.398 -3.487 6.523 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.238 -2.707 7.289 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.512 -4.747 7.006 1.00 0.00 C ATOM 555 CE1 HIS A 42 5.834 -3.463 8.194 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.411 -4.705 8.044 1.00 0.00 N ATOM 0 H HIS A 42 4.862 -2.874 2.897 1.00 0.00 H new ATOM 0 HA HIS A 42 3.409 -4.884 4.506 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.966 -1.968 5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.553 -2.771 5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.993 -5.622 6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.546 -3.123 8.931 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.704 -5.503 8.607 1.00 0.00 H new ATOM 564 N VAL A 43 1.134 -3.929 3.732 1.00 0.00 N ATOM 565 CA VAL A 43 -0.093 -3.652 2.994 1.00 0.00 C ATOM 566 C VAL A 43 -0.975 -2.663 3.747 1.00 0.00 C ATOM 567 O VAL A 43 -1.120 -2.746 4.966 1.00 0.00 O ATOM 568 CB VAL A 43 -0.894 -4.942 2.733 1.00 0.00 C ATOM 569 CG1 VAL A 43 -2.157 -4.635 1.943 1.00 0.00 C ATOM 570 CG2 VAL A 43 -0.034 -5.964 2.004 1.00 0.00 C ATOM 0 H VAL A 43 1.001 -4.478 4.581 1.00 0.00 H new ATOM 0 HA VAL A 43 0.203 -3.217 2.039 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.189 -5.367 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.710 -5.558 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.779 -3.940 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.888 -4.186 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.615 -6.869 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.292 -5.551 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.838 -6.206 2.612 1.00 0.00 H new ATOM 580 N PHE A 44 -1.564 -1.725 3.011 1.00 0.00 N ATOM 581 CA PHE A 44 -2.433 -0.718 3.609 1.00 0.00 C ATOM 582 C PHE A 44 -3.562 -0.339 2.655 1.00 0.00 C ATOM 583 O PHE A 44 -3.637 -0.841 1.533 1.00 0.00 O ATOM 584 CB PHE A 44 -1.625 0.527 3.981 1.00 0.00 C ATOM 585 CG PHE A 44 -0.491 0.245 4.926 1.00 0.00 C ATOM 586 CD1 PHE A 44 -0.712 0.175 6.292 1.00 0.00 C ATOM 587 CD2 PHE A 44 0.794 0.051 4.448 1.00 0.00 C ATOM 588 CE1 PHE A 44 0.329 -0.083 7.163 1.00 0.00 C ATOM 589 CE2 PHE A 44 1.840 -0.208 5.314 1.00 0.00 C ATOM 590 CZ PHE A 44 1.606 -0.276 6.674 1.00 0.00 C ATOM 0 H PHE A 44 -1.455 -1.642 2.000 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.871 -1.142 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.226 0.977 3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.291 1.261 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.709 0.324 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.981 0.103 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.144 -0.134 8.226 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.838 -0.357 4.928 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.420 -0.480 7.353 1.00 0.00 H new ATOM 600 N CYS A 45 -4.438 0.550 3.110 1.00 0.00 N ATOM 601 CA CYS A 45 -5.565 0.998 2.299 1.00 0.00 C ATOM 602 C CYS A 45 -5.298 2.381 1.713 1.00 0.00 C ATOM 603 O CYS A 45 -4.365 3.071 2.123 1.00 0.00 O ATOM 604 CB CYS A 45 -6.844 1.025 3.138 1.00 0.00 C ATOM 605 SG CYS A 45 -7.147 -0.504 4.082 1.00 0.00 S ATOM 0 H CYS A 45 -4.390 0.975 4.036 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.692 0.294 1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.793 1.864 3.832 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.694 1.207 2.480 1.00 0.00 H new ATOM 610 N SER A 46 -6.125 2.780 0.752 1.00 0.00 N ATOM 611 CA SER A 46 -5.977 4.079 0.106 1.00 0.00 C ATOM 612 C SER A 46 -6.092 5.208 1.126 1.00 0.00 C ATOM 613 O SER A 46 -5.210 6.060 1.226 1.00 0.00 O ATOM 614 CB SER A 46 -7.034 4.253 -0.986 1.00 0.00 C ATOM 615 OG SER A 46 -6.773 5.405 -1.769 1.00 0.00 O ATOM 0 H SER A 46 -6.905 2.222 0.403 1.00 0.00 H new ATOM 0 HA SER A 46 -4.987 4.121 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.049 3.371 -1.626 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.021 4.334 -0.531 1.00 0.00 H new ATOM 0 HG SER A 46 -7.462 5.493 -2.461 1.00 0.00 H new ATOM 621 N GLN A 47 -7.186 5.206 1.880 1.00 0.00 N ATOM 622 CA GLN A 47 -7.418 6.231 2.892 1.00 0.00 C ATOM 623 C GLN A 47 -6.445 6.076 4.056 1.00 0.00 C ATOM 624 O GLN A 47 -5.671 6.985 4.357 1.00 0.00 O ATOM 625 CB GLN A 47 -8.858 6.157 3.402 1.00 0.00 C ATOM 626 CG GLN A 47 -9.855 6.884 2.515 1.00 0.00 C ATOM 627 CD GLN A 47 -9.613 6.637 1.039 1.00 0.00 C ATOM 628 OE1 GLN A 47 -10.259 5.787 0.426 1.00 0.00 O ATOM 629 NE2 GLN A 47 -8.676 7.379 0.460 1.00 0.00 N ATOM 0 H GLN A 47 -7.926 4.507 1.810 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.253 7.205 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.152 5.111 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.901 6.580 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.865 6.564 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.799 7.954 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.165 8.072 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.468 7.256 -0.531 1.00 0.00 H new ATOM 638 N CYS A 48 -6.489 4.919 4.708 1.00 0.00 N ATOM 639 CA CYS A 48 -5.612 4.645 5.840 1.00 0.00 C ATOM 640 C CYS A 48 -4.205 5.174 5.579 1.00 0.00 C ATOM 641 O CYS A 48 -3.754 6.118 6.230 1.00 0.00 O ATOM 642 CB CYS A 48 -5.560 3.141 6.118 1.00 0.00 C ATOM 643 SG CYS A 48 -7.194 2.371 6.354 1.00 0.00 S ATOM 0 H CYS A 48 -7.123 4.156 4.472 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.017 5.156 6.714 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.054 2.647 5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.957 2.968 7.009 1.00 0.00 H new ATOM 648 N LEU A 49 -3.516 4.561 4.623 1.00 0.00 N ATOM 649 CA LEU A 49 -2.160 4.970 4.275 1.00 0.00 C ATOM 650 C LEU A 49 -2.102 6.465 3.978 1.00 0.00 C ATOM 651 O LEU A 49 -1.435 7.223 4.683 1.00 0.00 O ATOM 652 CB LEU A 49 -1.662 4.178 3.065 1.00 0.00 C ATOM 653 CG LEU A 49 -0.146 4.142 2.864 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.529 3.419 4.020 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.200 3.476 1.541 1.00 0.00 C ATOM 0 H LEU A 49 -3.874 3.779 4.075 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.514 4.762 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.021 3.153 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.117 4.598 2.168 1.00 0.00 H new ATOM 0 HG LEU A 49 0.223 5.167 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.607 3.403 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.308 3.938 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.156 2.396 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.282 3.459 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.182 2.455 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.252 4.036 0.723 1.00 0.00 H new ATOM 667 N ARG A 50 -2.806 6.883 2.930 1.00 0.00 N ATOM 668 CA ARG A 50 -2.835 8.287 2.540 1.00 0.00 C ATOM 669 C ARG A 50 -2.915 9.191 3.767 1.00 0.00 C ATOM 670 O ARG A 50 -2.344 10.281 3.785 1.00 0.00 O ATOM 671 CB ARG A 50 -4.024 8.557 1.616 1.00 0.00 C ATOM 672 CG ARG A 50 -4.038 9.962 1.037 1.00 0.00 C ATOM 673 CD ARG A 50 -5.236 10.177 0.125 1.00 0.00 C ATOM 674 NE ARG A 50 -5.329 11.558 -0.340 1.00 0.00 N ATOM 675 CZ ARG A 50 -5.898 12.533 0.361 1.00 0.00 C ATOM 676 NH1 ARG A 50 -6.420 12.279 1.552 1.00 0.00 N ATOM 677 NH2 ARG A 50 -5.944 13.765 -0.130 1.00 0.00 N ATOM 0 H ARG A 50 -3.364 6.269 2.336 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.911 8.509 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.009 7.836 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.948 8.392 2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.061 10.690 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.118 10.136 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.162 9.510 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.149 9.912 0.658 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.936 11.787 -1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.386 11.333 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.856 13.029 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.542 13.964 -1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.381 14.513 0.409 1.00 0.00 H new ATOM 691 N ASP A 51 -3.627 8.730 4.789 1.00 0.00 N ATOM 692 CA ASP A 51 -3.781 9.496 6.021 1.00 0.00 C ATOM 693 C ASP A 51 -2.521 9.410 6.876 1.00 0.00 C ATOM 694 O ASP A 51 -2.096 10.399 7.473 1.00 0.00 O ATOM 695 CB ASP A 51 -4.987 8.988 6.814 1.00 0.00 C ATOM 696 CG ASP A 51 -5.304 9.865 8.009 1.00 0.00 C ATOM 697 OD1 ASP A 51 -4.537 9.826 8.994 1.00 0.00 O ATOM 698 OD2 ASP A 51 -6.318 10.591 7.959 1.00 0.00 O ATOM 0 H ASP A 51 -4.107 7.830 4.789 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.945 10.540 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.857 8.944 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.792 7.971 7.155 1.00 0.00 H new ATOM 703 N SER A 52 -1.929 8.221 6.930 1.00 0.00 N ATOM 704 CA SER A 52 -0.720 8.005 7.716 1.00 0.00 C ATOM 705 C SER A 52 0.385 8.966 7.289 1.00 0.00 C ATOM 706 O SER A 52 0.975 9.661 8.118 1.00 0.00 O ATOM 707 CB SER A 52 -0.240 6.560 7.567 1.00 0.00 C ATOM 708 OG SER A 52 0.983 6.355 8.253 1.00 0.00 O ATOM 0 H SER A 52 -2.267 7.393 6.439 1.00 0.00 H new ATOM 0 HA SER A 52 -0.959 8.195 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.997 5.880 7.957 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.112 6.323 6.511 1.00 0.00 H new ATOM 0 HG SER A 52 0.862 5.665 8.938 1.00 0.00 H new ATOM 714 N LEU A 53 0.661 9.001 5.990 1.00 0.00 N ATOM 715 CA LEU A 53 1.695 9.877 5.450 1.00 0.00 C ATOM 716 C LEU A 53 1.560 11.289 6.011 1.00 0.00 C ATOM 717 O LEU A 53 2.557 11.967 6.261 1.00 0.00 O ATOM 718 CB LEU A 53 1.614 9.913 3.923 1.00 0.00 C ATOM 719 CG LEU A 53 2.432 8.855 3.182 1.00 0.00 C ATOM 720 CD1 LEU A 53 1.938 7.459 3.528 1.00 0.00 C ATOM 721 CD2 LEU A 53 2.370 9.088 1.679 1.00 0.00 C ATOM 0 H LEU A 53 0.183 8.433 5.291 1.00 0.00 H new ATOM 0 HA LEU A 53 2.665 9.479 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.569 9.805 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.939 10.897 3.585 1.00 0.00 H new ATOM 0 HG LEU A 53 3.471 8.939 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.532 6.719 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.036 7.294 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.891 7.362 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.958 8.326 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.334 9.032 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.774 10.074 1.447 1.00 0.00 H new ATOM 733 N LYS A 54 0.321 11.725 6.210 1.00 0.00 N ATOM 734 CA LYS A 54 0.055 13.055 6.745 1.00 0.00 C ATOM 735 C LYS A 54 0.457 13.141 8.214 1.00 0.00 C ATOM 736 O LYS A 54 1.073 14.115 8.642 1.00 0.00 O ATOM 737 CB LYS A 54 -1.428 13.402 6.590 1.00 0.00 C ATOM 738 CG LYS A 54 -1.898 13.430 5.146 1.00 0.00 C ATOM 739 CD LYS A 54 -3.314 13.970 5.031 1.00 0.00 C ATOM 740 CE LYS A 54 -4.346 12.860 5.165 1.00 0.00 C ATOM 741 NZ LYS A 54 -5.728 13.355 4.918 1.00 0.00 N ATOM 0 H LYS A 54 -0.515 11.177 6.009 1.00 0.00 H new ATOM 0 HA LYS A 54 0.651 13.772 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.022 12.675 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.614 14.376 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.223 14.048 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.856 12.424 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.482 14.720 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.437 14.469 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.115 12.062 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.288 12.429 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.401 12.569 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.959 14.099 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.791 13.743 3.955 1.00 0.00 H new ATOM 755 N ASN A 55 0.105 12.113 8.980 1.00 0.00 N ATOM 756 CA ASN A 55 0.430 12.073 10.401 1.00 0.00 C ATOM 757 C ASN A 55 1.876 11.636 10.616 1.00 0.00 C ATOM 758 O ASN A 55 2.718 12.427 11.037 1.00 0.00 O ATOM 759 CB ASN A 55 -0.517 11.121 11.135 1.00 0.00 C ATOM 760 CG ASN A 55 -1.774 11.817 11.621 1.00 0.00 C ATOM 761 OD1 ASN A 55 -1.918 12.103 12.810 1.00 0.00 O ATOM 762 ND2 ASN A 55 -2.690 12.093 10.701 1.00 0.00 N ATOM 0 H ASN A 55 -0.405 11.297 8.641 1.00 0.00 H new ATOM 0 HA ASN A 55 0.309 13.078 10.805 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.792 10.302 10.470 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.003 10.680 11.985 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.556 12.561 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.528 11.837 9.727 1.00 0.00 H new ATOM 769 N ALA A 56 2.155 10.370 10.323 1.00 0.00 N ATOM 770 CA ALA A 56 3.499 9.828 10.481 1.00 0.00 C ATOM 771 C ALA A 56 4.101 9.450 9.132 1.00 0.00 C ATOM 772 O ALA A 56 3.869 8.354 8.623 1.00 0.00 O ATOM 773 CB ALA A 56 3.475 8.621 11.407 1.00 0.00 C ATOM 0 H ALA A 56 1.468 9.701 9.975 1.00 0.00 H new ATOM 0 HA ALA A 56 4.126 10.601 10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.485 8.226 11.516 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.094 8.919 12.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.828 7.852 10.985 1.00 0.00 H new ATOM 779 N ASN A 57 4.874 10.365 8.557 1.00 0.00 N ATOM 780 CA ASN A 57 5.509 10.127 7.265 1.00 0.00 C ATOM 781 C ASN A 57 5.954 8.674 7.137 1.00 0.00 C ATOM 782 O ASN A 57 5.615 7.991 6.170 1.00 0.00 O ATOM 783 CB ASN A 57 6.709 11.058 7.084 1.00 0.00 C ATOM 784 CG ASN A 57 6.294 12.486 6.788 1.00 0.00 C ATOM 785 OD1 ASN A 57 5.264 12.727 6.157 1.00 0.00 O ATOM 786 ND2 ASN A 57 7.096 13.442 7.243 1.00 0.00 N ATOM 0 H ASN A 57 5.076 11.278 8.965 1.00 0.00 H new ATOM 0 HA ASN A 57 4.777 10.334 6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.319 11.040 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.333 10.688 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.868 14.422 7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.939 13.196 7.761 1.00 0.00 H new ATOM 793 N THR A 58 6.717 8.205 8.120 1.00 0.00 N ATOM 794 CA THR A 58 7.210 6.834 8.118 1.00 0.00 C ATOM 795 C THR A 58 6.063 5.837 8.244 1.00 0.00 C ATOM 796 O THR A 58 4.964 6.191 8.673 1.00 0.00 O ATOM 797 CB THR A 58 8.211 6.595 9.264 1.00 0.00 C ATOM 798 OG1 THR A 58 7.624 6.973 10.514 1.00 0.00 O ATOM 799 CG2 THR A 58 9.490 7.386 9.038 1.00 0.00 C ATOM 0 H THR A 58 7.007 8.756 8.928 1.00 0.00 H new ATOM 0 HA THR A 58 7.717 6.682 7.165 1.00 0.00 H new ATOM 0 HB THR A 58 8.458 5.534 9.286 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.311 6.969 11.213 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.182 7.202 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.949 7.075 8.100 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.257 8.450 8.992 1.00 0.00 H new ATOM 807 N CYS A 59 6.325 4.590 7.868 1.00 0.00 N ATOM 808 CA CYS A 59 5.315 3.541 7.940 1.00 0.00 C ATOM 809 C CYS A 59 4.819 3.360 9.371 1.00 0.00 C ATOM 810 O CYS A 59 5.598 3.320 10.324 1.00 0.00 O ATOM 811 CB CYS A 59 5.882 2.221 7.413 1.00 0.00 C ATOM 812 SG CYS A 59 4.675 0.858 7.370 1.00 0.00 S ATOM 0 H CYS A 59 7.229 4.281 7.510 1.00 0.00 H new ATOM 0 HA CYS A 59 4.471 3.840 7.318 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.270 2.380 6.407 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.726 1.925 8.037 1.00 0.00 H new ATOM 817 N PRO A 60 3.492 3.246 9.528 1.00 0.00 N ATOM 818 CA PRO A 60 2.862 3.066 10.839 1.00 0.00 C ATOM 819 C PRO A 60 3.148 1.693 11.436 1.00 0.00 C ATOM 820 O PRO A 60 2.645 1.352 12.507 1.00 0.00 O ATOM 821 CB PRO A 60 1.369 3.218 10.539 1.00 0.00 C ATOM 822 CG PRO A 60 1.231 2.844 9.104 1.00 0.00 C ATOM 823 CD PRO A 60 2.504 3.284 8.437 1.00 0.00 C ATOM 0 HA PRO A 60 3.238 3.779 11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.769 2.569 11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.032 4.239 10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.084 1.770 8.993 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.366 3.332 8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.781 2.617 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.411 4.284 8.014 1.00 0.00 H new ATOM 831 N THR A 61 3.961 0.906 10.737 1.00 0.00 N ATOM 832 CA THR A 61 4.314 -0.431 11.198 1.00 0.00 C ATOM 833 C THR A 61 5.810 -0.542 11.468 1.00 0.00 C ATOM 834 O THR A 61 6.237 -0.654 12.618 1.00 0.00 O ATOM 835 CB THR A 61 3.908 -1.504 10.170 1.00 0.00 C ATOM 836 OG1 THR A 61 2.655 -1.159 9.570 1.00 0.00 O ATOM 837 CG2 THR A 61 3.801 -2.871 10.829 1.00 0.00 C ATOM 0 H THR A 61 4.387 1.172 9.849 1.00 0.00 H new ATOM 0 HA THR A 61 3.767 -0.601 12.125 1.00 0.00 H new ATOM 0 HB THR A 61 4.679 -1.548 9.400 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.405 -1.845 8.917 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.513 -3.613 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.765 -3.144 11.259 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.048 -2.837 11.617 1.00 0.00 H new ATOM 845 N CYS A 62 6.603 -0.510 10.403 1.00 0.00 N ATOM 846 CA CYS A 62 8.052 -0.607 10.525 1.00 0.00 C ATOM 847 C CYS A 62 8.667 0.759 10.814 1.00 0.00 C ATOM 848 O CYS A 62 9.754 0.854 11.384 1.00 0.00 O ATOM 849 CB CYS A 62 8.655 -1.189 9.244 1.00 0.00 C ATOM 850 SG CYS A 62 8.080 -0.378 7.717 1.00 0.00 S ATOM 0 H CYS A 62 6.266 -0.418 9.445 1.00 0.00 H new ATOM 0 HA CYS A 62 8.277 -1.271 11.360 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.741 -1.110 9.298 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.414 -2.251 9.192 1.00 0.00 H new ATOM 855 N ARG A 63 7.962 1.814 10.419 1.00 0.00 N ATOM 856 CA ARG A 63 8.438 3.175 10.635 1.00 0.00 C ATOM 857 C ARG A 63 9.796 3.388 9.972 1.00 0.00 C ATOM 858 O ARG A 63 10.733 3.884 10.598 1.00 0.00 O ATOM 859 CB ARG A 63 8.537 3.472 12.132 1.00 0.00 C ATOM 860 CG ARG A 63 7.188 3.533 12.831 1.00 0.00 C ATOM 861 CD ARG A 63 6.604 4.937 12.794 1.00 0.00 C ATOM 862 NE ARG A 63 5.750 5.205 13.947 1.00 0.00 N ATOM 863 CZ ARG A 63 5.172 6.379 14.177 1.00 0.00 C ATOM 864 NH1 ARG A 63 5.357 7.388 13.336 1.00 0.00 N ATOM 865 NH2 ARG A 63 4.408 6.546 15.249 1.00 0.00 N ATOM 0 H ARG A 63 7.059 1.752 9.948 1.00 0.00 H new ATOM 0 HA ARG A 63 7.721 3.860 10.183 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.148 2.704 12.607 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.053 4.422 12.272 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.498 2.838 12.353 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.299 3.211 13.866 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.414 5.666 12.766 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.027 5.066 11.878 1.00 0.00 H new ATOM 0 HE ARG A 63 5.588 4.449 14.613 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.944 7.263 12.511 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.912 8.289 13.514 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.264 5.772 15.898 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.965 7.448 15.424 1.00 0.00 H new ATOM 879 N LYS A 64 9.895 3.009 8.703 1.00 0.00 N ATOM 880 CA LYS A 64 11.137 3.158 7.954 1.00 0.00 C ATOM 881 C LYS A 64 10.974 4.172 6.826 1.00 0.00 C ATOM 882 O LYS A 64 9.920 4.249 6.194 1.00 0.00 O ATOM 883 CB LYS A 64 11.577 1.809 7.381 1.00 0.00 C ATOM 884 CG LYS A 64 12.891 1.869 6.623 1.00 0.00 C ATOM 885 CD LYS A 64 13.009 0.734 5.620 1.00 0.00 C ATOM 886 CE LYS A 64 14.462 0.364 5.365 1.00 0.00 C ATOM 887 NZ LYS A 64 15.041 -0.420 6.492 1.00 0.00 N ATOM 0 H LYS A 64 9.129 2.596 8.171 1.00 0.00 H new ATOM 0 HA LYS A 64 11.903 3.522 8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.670 1.091 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.799 1.436 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.969 2.824 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.721 1.821 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.470 -0.138 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.537 1.026 4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.533 -0.216 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.047 1.271 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.962 -0.811 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.169 0.200 7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.397 -1.198 6.741 1.00 0.00 H new ATOM 901 N LYS A 65 12.023 4.948 6.577 1.00 0.00 N ATOM 902 CA LYS A 65 11.998 5.955 5.523 1.00 0.00 C ATOM 903 C LYS A 65 11.231 5.450 4.306 1.00 0.00 C ATOM 904 O LYS A 65 11.750 4.659 3.518 1.00 0.00 O ATOM 905 CB LYS A 65 13.425 6.335 5.119 1.00 0.00 C ATOM 906 CG LYS A 65 14.169 7.123 6.183 1.00 0.00 C ATOM 907 CD LYS A 65 13.659 8.551 6.279 1.00 0.00 C ATOM 908 CE LYS A 65 14.192 9.411 5.144 1.00 0.00 C ATOM 909 NZ LYS A 65 15.596 9.844 5.387 1.00 0.00 N ATOM 0 H LYS A 65 12.902 4.899 7.092 1.00 0.00 H new ATOM 0 HA LYS A 65 11.489 6.838 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.984 5.427 4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.390 6.923 4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.055 6.630 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.234 7.131 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.569 8.551 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.958 8.982 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.141 8.851 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.557 10.289 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.916 10.442 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.644 10.385 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.210 9.008 5.458 1.00 0.00 H new ATOM 923 N ILE A 66 9.994 5.913 4.158 1.00 0.00 N ATOM 924 CA ILE A 66 9.158 5.510 3.035 1.00 0.00 C ATOM 925 C ILE A 66 8.620 6.724 2.285 1.00 0.00 C ATOM 926 O ILE A 66 8.078 7.649 2.889 1.00 0.00 O ATOM 927 CB ILE A 66 7.973 4.641 3.498 1.00 0.00 C ATOM 928 CG1 ILE A 66 7.229 5.326 4.647 1.00 0.00 C ATOM 929 CG2 ILE A 66 8.460 3.264 3.922 1.00 0.00 C ATOM 930 CD1 ILE A 66 5.755 4.993 4.695 1.00 0.00 C ATOM 0 H ILE A 66 9.549 6.567 4.802 1.00 0.00 H new ATOM 0 HA ILE A 66 9.789 4.924 2.367 1.00 0.00 H new ATOM 0 HB ILE A 66 7.282 4.519 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.690 5.036 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.347 6.406 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.611 2.662 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.950 2.776 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.168 3.366 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.292 5.513 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.280 5.308 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.629 3.918 4.820 1.00 0.00 H new ATOM 942 N ASN A 67 8.774 6.714 0.965 1.00 0.00 N ATOM 943 CA ASN A 67 8.303 7.814 0.132 1.00 0.00 C ATOM 944 C ASN A 67 8.182 7.380 -1.326 1.00 0.00 C ATOM 945 O ASN A 67 9.109 6.799 -1.891 1.00 0.00 O ATOM 946 CB ASN A 67 9.254 9.008 0.243 1.00 0.00 C ATOM 947 CG ASN A 67 9.128 9.726 1.573 1.00 0.00 C ATOM 948 OD1 ASN A 67 8.212 10.522 1.777 1.00 0.00 O ATOM 949 ND2 ASN A 67 10.051 9.446 2.485 1.00 0.00 N ATOM 0 H ASN A 67 9.221 5.956 0.449 1.00 0.00 H new ATOM 0 HA ASN A 67 7.316 8.109 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.280 8.665 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.049 9.709 -0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.018 9.898 3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.793 8.779 2.272 1.00 0.00 H new ATOM 956 N HIS A 68 7.033 7.666 -1.929 1.00 0.00 N ATOM 957 CA HIS A 68 6.790 7.307 -3.322 1.00 0.00 C ATOM 958 C HIS A 68 6.663 8.554 -4.191 1.00 0.00 C ATOM 959 O HIS A 68 5.565 9.076 -4.390 1.00 0.00 O ATOM 960 CB HIS A 68 5.523 6.458 -3.438 1.00 0.00 C ATOM 961 CG HIS A 68 4.283 7.169 -2.989 1.00 0.00 C ATOM 962 ND1 HIS A 68 3.263 7.519 -3.848 1.00 0.00 N ATOM 963 CD2 HIS A 68 3.902 7.593 -1.761 1.00 0.00 C ATOM 964 CE1 HIS A 68 2.309 8.129 -3.169 1.00 0.00 C ATOM 965 NE2 HIS A 68 2.671 8.187 -1.900 1.00 0.00 N ATOM 0 H HIS A 68 6.255 8.145 -1.475 1.00 0.00 H new ATOM 0 HA HIS A 68 7.642 6.726 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.398 6.146 -4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.647 5.552 -2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.461 7.485 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.389 8.515 -3.581 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.125 8.605 -1.146 1.00 0.00 H new ATOM 973 N LYS A 69 7.792 9.028 -4.705 1.00 0.00 N ATOM 974 CA LYS A 69 7.808 10.214 -5.553 1.00 0.00 C ATOM 975 C LYS A 69 8.979 10.169 -6.530 1.00 0.00 C ATOM 976 O LYS A 69 9.844 9.305 -6.393 1.00 0.00 O ATOM 977 CB LYS A 69 7.895 11.479 -4.696 1.00 0.00 C ATOM 978 CG LYS A 69 9.261 11.695 -4.067 1.00 0.00 C ATOM 979 CD LYS A 69 9.368 13.067 -3.424 1.00 0.00 C ATOM 980 CE LYS A 69 8.892 13.044 -1.979 1.00 0.00 C ATOM 981 NZ LYS A 69 9.576 14.078 -1.154 1.00 0.00 N ATOM 0 H LYS A 69 8.709 8.609 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 69 6.880 10.233 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.647 12.343 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.145 11.425 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.443 10.925 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.034 11.587 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.403 13.408 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.775 13.784 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.815 13.209 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.076 12.058 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.225 14.030 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.602 13.906 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.380 15.021 -1.547 1.00 0.00 H new TER 995 LYS A 69 HETATM 996 ZN ZN A 201 -6.963 0.194 6.298 1.00 0.00 ZN HETATM 997 ZN ZN A 401 6.107 -0.990 6.885 1.00 0.00 ZN