USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 410 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 50 HIS HE2 : A 50 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 TYR OH : rot 11:sc= -0.546 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -3.74! C(o=-4.3!,f=-6.5!) USER MOD Set 3.1: A 33 GLN : amide:sc= -12.4! C(o=-11!,f=-6.8!) USER MOD Set 3.2: A 58 SER OG : rot 139:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0868 (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 30:sc= 0.749 USER MOD Single : A 6 SER OG : rot 22:sc= 0.124 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -44:sc= 0.145 USER MOD Single : A 34 ASN : amide:sc= 0.0355 X(o=0.036,f=-0.048) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.23! X(o=-1.2!,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -56:sc= 0.00239 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.244 -30.895 35.328 1.00 0.00 N ATOM 2 CA GLY A 1 -19.170 -30.499 33.933 1.00 0.00 C ATOM 3 C GLY A 1 -17.743 -30.423 33.428 1.00 0.00 C ATOM 4 O GLY A 1 -16.805 -30.783 34.139 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.937 -31.663 35.435 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.310 -31.225 35.645 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.537 -30.081 35.905 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.730 -31.211 33.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.649 -29.528 33.808 1.00 0.00 H new ATOM 8 N SER A 2 -17.578 -29.955 32.194 1.00 0.00 N ATOM 9 CA SER A 2 -16.255 -29.839 31.591 1.00 0.00 C ATOM 10 C SER A 2 -16.228 -28.721 30.553 1.00 0.00 C ATOM 11 O SER A 2 -17.264 -28.149 30.214 1.00 0.00 O ATOM 12 CB SER A 2 -15.849 -31.163 30.943 1.00 0.00 C ATOM 13 OG SER A 2 -16.817 -31.588 29.999 1.00 0.00 O ATOM 0 H SER A 2 -18.344 -29.650 31.593 1.00 0.00 H new ATOM 0 HA SER A 2 -15.543 -29.596 32.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.883 -31.049 30.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.728 -31.926 31.712 1.00 0.00 H new ATOM 0 HG SER A 2 -16.533 -32.436 29.598 1.00 0.00 H new ATOM 19 N SER A 3 -15.036 -28.416 30.052 1.00 0.00 N ATOM 20 CA SER A 3 -14.872 -27.365 29.055 1.00 0.00 C ATOM 21 C SER A 3 -14.164 -27.900 27.813 1.00 0.00 C ATOM 22 O SER A 3 -13.500 -28.934 27.860 1.00 0.00 O ATOM 23 CB SER A 3 -14.080 -26.195 29.642 1.00 0.00 C ATOM 24 OG SER A 3 -14.708 -25.688 30.807 1.00 0.00 O ATOM 0 H SER A 3 -14.169 -28.882 30.320 1.00 0.00 H new ATOM 0 HA SER A 3 -15.863 -27.015 28.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.068 -26.521 29.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.991 -25.403 28.899 1.00 0.00 H new ATOM 0 HG SER A 3 -14.182 -24.942 31.164 1.00 0.00 H new ATOM 30 N GLY A 4 -14.312 -27.185 26.702 1.00 0.00 N ATOM 31 CA GLY A 4 -13.683 -27.602 25.462 1.00 0.00 C ATOM 32 C GLY A 4 -13.976 -26.655 24.316 1.00 0.00 C ATOM 33 O GLY A 4 -14.867 -26.908 23.505 1.00 0.00 O ATOM 0 H GLY A 4 -14.856 -26.325 26.638 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.605 -27.667 25.609 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.030 -28.602 25.201 1.00 0.00 H new ATOM 37 N SER A 5 -13.226 -25.560 24.248 1.00 0.00 N ATOM 38 CA SER A 5 -13.413 -24.569 23.195 1.00 0.00 C ATOM 39 C SER A 5 -12.090 -23.899 22.838 1.00 0.00 C ATOM 40 O SER A 5 -11.534 -23.137 23.628 1.00 0.00 O ATOM 41 CB SER A 5 -14.430 -23.513 23.635 1.00 0.00 C ATOM 42 OG SER A 5 -13.983 -22.824 24.790 1.00 0.00 O ATOM 0 H SER A 5 -12.483 -25.337 24.910 1.00 0.00 H new ATOM 0 HA SER A 5 -13.791 -25.082 22.310 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.595 -22.803 22.825 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.388 -23.990 23.840 1.00 0.00 H new ATOM 0 HG SER A 5 -13.004 -22.789 24.791 1.00 0.00 H new ATOM 48 N SER A 6 -11.592 -24.189 21.640 1.00 0.00 N ATOM 49 CA SER A 6 -10.332 -23.618 21.178 1.00 0.00 C ATOM 50 C SER A 6 -10.458 -22.111 20.981 1.00 0.00 C ATOM 51 O SER A 6 -11.393 -21.633 20.341 1.00 0.00 O ATOM 52 CB SER A 6 -9.898 -24.280 19.868 1.00 0.00 C ATOM 53 OG SER A 6 -10.774 -23.937 18.809 1.00 0.00 O ATOM 0 H SER A 6 -12.041 -24.815 20.972 1.00 0.00 H new ATOM 0 HA SER A 6 -9.576 -23.805 21.940 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.883 -23.970 19.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.879 -25.363 19.993 1.00 0.00 H new ATOM 0 HG SER A 6 -11.245 -23.106 19.030 1.00 0.00 H new ATOM 59 N GLY A 7 -9.507 -21.366 21.538 1.00 0.00 N ATOM 60 CA GLY A 7 -9.529 -19.920 21.414 1.00 0.00 C ATOM 61 C GLY A 7 -8.421 -19.398 20.521 1.00 0.00 C ATOM 62 O GLY A 7 -7.726 -18.445 20.875 1.00 0.00 O ATOM 0 H GLY A 7 -8.722 -21.738 22.073 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.493 -19.607 21.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.436 -19.472 22.403 1.00 0.00 H new ATOM 66 N LEU A 8 -8.254 -20.024 19.362 1.00 0.00 N ATOM 67 CA LEU A 8 -7.220 -19.617 18.415 1.00 0.00 C ATOM 68 C LEU A 8 -7.832 -18.908 17.212 1.00 0.00 C ATOM 69 O LEU A 8 -7.411 -19.120 16.075 1.00 0.00 O ATOM 70 CB LEU A 8 -6.419 -20.835 17.951 1.00 0.00 C ATOM 71 CG LEU A 8 -5.600 -21.549 19.027 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.442 -23.023 18.687 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.239 -20.888 19.188 1.00 0.00 C ATOM 0 H LEU A 8 -8.820 -20.815 19.055 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.551 -18.921 18.921 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.111 -21.554 17.512 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.742 -20.519 17.157 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.134 -21.471 19.974 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.857 -23.515 19.464 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.425 -23.489 18.624 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.931 -23.123 17.729 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.670 -21.409 19.958 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.698 -20.934 18.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.373 -19.846 19.479 1.00 0.00 H new ATOM 85 N GLU A 9 -8.826 -18.064 17.471 1.00 0.00 N ATOM 86 CA GLU A 9 -9.494 -17.323 16.408 1.00 0.00 C ATOM 87 C GLU A 9 -9.116 -15.846 16.454 1.00 0.00 C ATOM 88 O GLU A 9 -9.747 -15.054 17.152 1.00 0.00 O ATOM 89 CB GLU A 9 -11.012 -17.476 16.526 1.00 0.00 C ATOM 90 CG GLU A 9 -11.788 -16.638 15.524 1.00 0.00 C ATOM 91 CD GLU A 9 -11.774 -17.233 14.129 1.00 0.00 C ATOM 92 OE1 GLU A 9 -11.841 -18.475 14.015 1.00 0.00 O ATOM 93 OE2 GLU A 9 -11.694 -16.459 13.153 1.00 0.00 O ATOM 0 H GLU A 9 -9.186 -17.877 18.407 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.167 -17.734 15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.275 -18.525 16.390 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.319 -17.199 17.534 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.820 -16.538 15.862 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.365 -15.634 15.491 1.00 0.00 H new ATOM 100 N ALA A 10 -8.080 -15.483 15.704 1.00 0.00 N ATOM 101 CA ALA A 10 -7.618 -14.101 15.657 1.00 0.00 C ATOM 102 C ALA A 10 -7.087 -13.746 14.273 1.00 0.00 C ATOM 103 O ALA A 10 -6.010 -14.192 13.876 1.00 0.00 O ATOM 104 CB ALA A 10 -6.545 -13.868 16.711 1.00 0.00 C ATOM 0 H ALA A 10 -7.545 -16.127 15.121 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.468 -13.452 15.868 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.209 -12.832 16.665 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.956 -14.073 17.700 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.701 -14.532 16.524 1.00 0.00 H new ATOM 110 N VAL A 11 -7.850 -12.942 13.539 1.00 0.00 N ATOM 111 CA VAL A 11 -7.456 -12.527 12.198 1.00 0.00 C ATOM 112 C VAL A 11 -7.097 -11.046 12.165 1.00 0.00 C ATOM 113 O VAL A 11 -7.973 -10.183 12.207 1.00 0.00 O ATOM 114 CB VAL A 11 -8.577 -12.796 11.176 1.00 0.00 C ATOM 115 CG1 VAL A 11 -8.166 -12.310 9.794 1.00 0.00 C ATOM 116 CG2 VAL A 11 -8.929 -14.275 11.148 1.00 0.00 C ATOM 0 H VAL A 11 -8.745 -12.565 13.851 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.580 -13.116 11.928 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.465 -12.242 11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.970 -12.508 9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.969 -11.239 9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.265 -12.835 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.722 -14.446 10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.049 -14.853 10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.269 -14.587 12.136 1.00 0.00 H new ATOM 126 N ALA A 12 -5.801 -10.759 12.088 1.00 0.00 N ATOM 127 CA ALA A 12 -5.326 -9.382 12.046 1.00 0.00 C ATOM 128 C ALA A 12 -4.978 -8.964 10.622 1.00 0.00 C ATOM 129 O ALA A 12 -4.570 -9.778 9.793 1.00 0.00 O ATOM 130 CB ALA A 12 -4.119 -9.212 12.958 1.00 0.00 C ATOM 0 H ALA A 12 -5.062 -11.462 12.054 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.129 -8.736 12.400 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.775 -8.179 12.917 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.399 -9.461 13.982 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.318 -9.875 12.629 1.00 0.00 H new ATOM 136 N PRO A 13 -5.141 -7.666 10.328 1.00 0.00 N ATOM 137 CA PRO A 13 -4.850 -7.111 9.003 1.00 0.00 C ATOM 138 C PRO A 13 -3.356 -7.092 8.697 1.00 0.00 C ATOM 139 O PRO A 13 -2.570 -7.767 9.362 1.00 0.00 O ATOM 140 CB PRO A 13 -5.397 -5.684 9.088 1.00 0.00 C ATOM 141 CG PRO A 13 -5.360 -5.350 10.539 1.00 0.00 C ATOM 142 CD PRO A 13 -5.623 -6.639 11.267 1.00 0.00 C ATOM 0 HA PRO A 13 -5.295 -7.706 8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.788 -4.991 8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.412 -5.625 8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.392 -4.934 10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.113 -4.601 10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.089 -6.680 12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.682 -6.765 11.491 1.00 0.00 H new ATOM 150 N GLU A 14 -2.972 -6.315 7.689 1.00 0.00 N ATOM 151 CA GLU A 14 -1.572 -6.210 7.297 1.00 0.00 C ATOM 152 C GLU A 14 -1.379 -5.108 6.260 1.00 0.00 C ATOM 153 O GLU A 14 -2.329 -4.689 5.600 1.00 0.00 O ATOM 154 CB GLU A 14 -1.074 -7.545 6.738 1.00 0.00 C ATOM 155 CG GLU A 14 -2.071 -8.227 5.816 1.00 0.00 C ATOM 156 CD GLU A 14 -1.894 -9.733 5.779 1.00 0.00 C ATOM 157 OE1 GLU A 14 -1.416 -10.300 6.783 1.00 0.00 O ATOM 158 OE2 GLU A 14 -2.234 -10.344 4.744 1.00 0.00 O ATOM 0 H GLU A 14 -3.611 -5.750 7.130 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.991 -5.957 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.144 -7.378 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.842 -8.213 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.084 -7.992 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.961 -7.827 4.808 1.00 0.00 H new ATOM 165 N ARG A 15 -0.141 -4.642 6.124 1.00 0.00 N ATOM 166 CA ARG A 15 0.177 -3.587 5.170 1.00 0.00 C ATOM 167 C ARG A 15 1.668 -3.580 4.844 1.00 0.00 C ATOM 168 O ARG A 15 2.511 -3.925 5.672 1.00 0.00 O ATOM 169 CB ARG A 15 -0.240 -2.224 5.726 1.00 0.00 C ATOM 170 CG ARG A 15 -0.271 -2.169 7.245 1.00 0.00 C ATOM 171 CD ARG A 15 1.132 -2.194 7.832 1.00 0.00 C ATOM 172 NE ARG A 15 1.136 -1.860 9.253 1.00 0.00 N ATOM 173 CZ ARG A 15 2.231 -1.522 9.926 1.00 0.00 C ATOM 174 NH1 ARG A 15 3.403 -1.474 9.308 1.00 0.00 N ATOM 175 NH2 ARG A 15 2.154 -1.232 11.218 1.00 0.00 N ATOM 0 H ARG A 15 0.657 -4.979 6.662 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.378 -3.783 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.449 -1.464 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.228 -1.971 5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.785 -1.263 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.843 -3.014 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.566 -3.184 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.764 -1.489 7.292 1.00 0.00 H new ATOM 0 HE ARG A 15 0.250 -1.888 9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.465 -1.697 8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.242 -1.214 9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.254 -1.268 11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.995 -0.973 11.733 1.00 0.00 H new ATOM 189 N PRO A 16 2.002 -3.180 3.608 1.00 0.00 N ATOM 190 CA PRO A 16 3.391 -3.120 3.144 1.00 0.00 C ATOM 191 C PRO A 16 4.181 -2.007 3.823 1.00 0.00 C ATOM 192 O PRO A 16 3.766 -1.478 4.855 1.00 0.00 O ATOM 193 CB PRO A 16 3.252 -2.839 1.645 1.00 0.00 C ATOM 194 CG PRO A 16 1.933 -2.161 1.508 1.00 0.00 C ATOM 195 CD PRO A 16 1.049 -2.756 2.569 1.00 0.00 C ATOM 0 HA PRO A 16 3.937 -4.036 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.062 -2.205 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.286 -3.761 1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.032 -1.084 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.513 -2.322 0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.335 -2.027 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.472 -3.597 2.186 1.00 0.00 H new ATOM 203 N ARG A 17 5.321 -1.655 3.239 1.00 0.00 N ATOM 204 CA ARG A 17 6.170 -0.605 3.789 1.00 0.00 C ATOM 205 C ARG A 17 6.984 0.069 2.688 1.00 0.00 C ATOM 206 O ARG A 17 7.513 -0.596 1.797 1.00 0.00 O ATOM 207 CB ARG A 17 7.107 -1.181 4.851 1.00 0.00 C ATOM 208 CG ARG A 17 7.498 -0.181 5.927 1.00 0.00 C ATOM 209 CD ARG A 17 6.293 0.253 6.748 1.00 0.00 C ATOM 210 NE ARG A 17 6.662 0.607 8.116 1.00 0.00 N ATOM 211 CZ ARG A 17 6.814 -0.284 9.090 1.00 0.00 C ATOM 212 NH1 ARG A 17 6.631 -1.574 8.847 1.00 0.00 N ATOM 213 NH2 ARG A 17 7.151 0.116 10.309 1.00 0.00 N ATOM 0 H ARG A 17 5.679 -2.082 2.384 1.00 0.00 H new ATOM 0 HA ARG A 17 5.526 0.143 4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.625 -2.038 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.010 -1.550 4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.246 -0.625 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.958 0.692 5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.816 1.108 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.558 -0.552 6.767 1.00 0.00 H new ATOM 0 HE ARG A 17 6.811 1.592 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.373 -1.885 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.748 -2.256 9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.294 1.108 10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.268 -0.568 11.056 1.00 0.00 H new ATOM 227 N CYS A 18 7.080 1.393 2.756 1.00 0.00 N ATOM 228 CA CYS A 18 7.828 2.158 1.766 1.00 0.00 C ATOM 229 C CYS A 18 9.267 1.660 1.668 1.00 0.00 C ATOM 230 O CYS A 18 9.774 1.010 2.583 1.00 0.00 O ATOM 231 CB CYS A 18 7.814 3.645 2.123 1.00 0.00 C ATOM 232 SG CYS A 18 8.173 4.750 0.719 1.00 0.00 S ATOM 0 H CYS A 18 6.649 1.958 3.487 1.00 0.00 H new ATOM 0 HA CYS A 18 7.348 2.020 0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.836 3.900 2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.546 3.826 2.910 1.00 0.00 H new ATOM 237 N ALA A 19 9.920 1.970 0.553 1.00 0.00 N ATOM 238 CA ALA A 19 11.301 1.557 0.337 1.00 0.00 C ATOM 239 C ALA A 19 12.258 2.734 0.498 1.00 0.00 C ATOM 240 O ALA A 19 13.462 2.603 0.276 1.00 0.00 O ATOM 241 CB ALA A 19 11.456 0.934 -1.043 1.00 0.00 C ATOM 0 H ALA A 19 9.515 2.506 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 19 11.553 0.811 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.492 0.630 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.807 0.062 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.180 1.663 -1.805 1.00 0.00 H new ATOM 247 N TYR A 20 11.715 3.883 0.885 1.00 0.00 N ATOM 248 CA TYR A 20 12.520 5.083 1.073 1.00 0.00 C ATOM 249 C TYR A 20 12.391 5.608 2.500 1.00 0.00 C ATOM 250 O TYR A 20 13.375 6.022 3.114 1.00 0.00 O ATOM 251 CB TYR A 20 12.099 6.167 0.079 1.00 0.00 C ATOM 252 CG TYR A 20 12.667 7.532 0.394 1.00 0.00 C ATOM 253 CD1 TYR A 20 12.104 8.331 1.381 1.00 0.00 C ATOM 254 CD2 TYR A 20 13.770 8.022 -0.296 1.00 0.00 C ATOM 255 CE1 TYR A 20 12.620 9.579 1.671 1.00 0.00 C ATOM 256 CE2 TYR A 20 14.293 9.269 -0.012 1.00 0.00 C ATOM 257 CZ TYR A 20 13.715 10.043 0.972 1.00 0.00 C ATOM 258 OH TYR A 20 14.233 11.286 1.258 1.00 0.00 O ATOM 0 H TYR A 20 10.721 4.008 1.075 1.00 0.00 H new ATOM 0 HA TYR A 20 13.563 4.821 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 20 12.416 5.873 -0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 20 11.011 6.231 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.248 7.970 1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.226 7.418 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.169 10.188 2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 20 15.150 9.635 -0.558 1.00 0.00 H new ATOM 0 HH TYR A 20 15.003 11.461 0.677 1.00 0.00 H new ATOM 268 N CYS A 21 11.169 5.588 3.022 1.00 0.00 N ATOM 269 CA CYS A 21 10.907 6.061 4.376 1.00 0.00 C ATOM 270 C CYS A 21 10.434 4.918 5.270 1.00 0.00 C ATOM 271 O CYS A 21 10.328 5.071 6.486 1.00 0.00 O ATOM 272 CB CYS A 21 9.859 7.175 4.356 1.00 0.00 C ATOM 273 SG CYS A 21 8.176 6.605 3.951 1.00 0.00 S ATOM 0 H CYS A 21 10.344 5.249 2.527 1.00 0.00 H new ATOM 0 HA CYS A 21 11.838 6.455 4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.842 7.661 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 21 10.160 7.930 3.630 1.00 0.00 H new ATOM 278 N SER A 22 10.152 3.773 4.657 1.00 0.00 N ATOM 279 CA SER A 22 9.688 2.605 5.395 1.00 0.00 C ATOM 280 C SER A 22 8.375 2.903 6.114 1.00 0.00 C ATOM 281 O SER A 22 8.180 2.508 7.263 1.00 0.00 O ATOM 282 CB SER A 22 10.746 2.160 6.406 1.00 0.00 C ATOM 283 OG SER A 22 12.010 2.002 5.785 1.00 0.00 O ATOM 0 H SER A 22 10.237 3.630 3.651 1.00 0.00 H new ATOM 0 HA SER A 22 9.517 1.800 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.820 2.896 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.442 1.219 6.865 1.00 0.00 H new ATOM 0 HG SER A 22 12.669 1.719 6.452 1.00 0.00 H new ATOM 289 N ALA A 23 7.479 3.605 5.428 1.00 0.00 N ATOM 290 CA ALA A 23 6.184 3.955 5.999 1.00 0.00 C ATOM 291 C ALA A 23 5.060 3.170 5.333 1.00 0.00 C ATOM 292 O ALA A 23 5.207 2.690 4.209 1.00 0.00 O ATOM 293 CB ALA A 23 5.937 5.451 5.867 1.00 0.00 C ATOM 0 H ALA A 23 7.626 3.942 4.477 1.00 0.00 H new ATOM 0 HA ALA A 23 6.197 3.692 7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.967 5.699 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.718 5.997 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.949 5.730 4.813 1.00 0.00 H new ATOM 299 N GLU A 24 3.937 3.043 6.033 1.00 0.00 N ATOM 300 CA GLU A 24 2.788 2.313 5.509 1.00 0.00 C ATOM 301 C GLU A 24 2.545 2.663 4.043 1.00 0.00 C ATOM 302 O GLU A 24 2.117 3.771 3.721 1.00 0.00 O ATOM 303 CB GLU A 24 1.538 2.626 6.333 1.00 0.00 C ATOM 304 CG GLU A 24 1.326 1.677 7.501 1.00 0.00 C ATOM 305 CD GLU A 24 0.303 2.193 8.494 1.00 0.00 C ATOM 306 OE1 GLU A 24 -0.908 2.050 8.227 1.00 0.00 O ATOM 307 OE2 GLU A 24 0.714 2.739 9.539 1.00 0.00 O ATOM 0 H GLU A 24 3.798 3.436 6.964 1.00 0.00 H new ATOM 0 HA GLU A 24 3.003 1.247 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.609 3.645 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.665 2.588 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.002 0.708 7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.275 1.519 8.012 1.00 0.00 H new ATOM 314 N ALA A 25 2.822 1.710 3.160 1.00 0.00 N ATOM 315 CA ALA A 25 2.632 1.916 1.729 1.00 0.00 C ATOM 316 C ALA A 25 1.223 1.524 1.300 1.00 0.00 C ATOM 317 O ALA A 25 0.574 0.700 1.944 1.00 0.00 O ATOM 318 CB ALA A 25 3.665 1.124 0.940 1.00 0.00 C ATOM 0 H ALA A 25 3.179 0.788 3.410 1.00 0.00 H new ATOM 0 HA ALA A 25 2.765 2.977 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.511 1.287 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.666 1.454 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.558 0.063 1.164 1.00 0.00 H new ATOM 324 N SER A 26 0.754 2.121 0.209 1.00 0.00 N ATOM 325 CA SER A 26 -0.582 1.837 -0.303 1.00 0.00 C ATOM 326 C SER A 26 -0.525 1.429 -1.772 1.00 0.00 C ATOM 327 O SER A 26 -1.301 0.587 -2.225 1.00 0.00 O ATOM 328 CB SER A 26 -1.485 3.061 -0.137 1.00 0.00 C ATOM 329 OG SER A 26 -2.047 3.108 1.164 1.00 0.00 O ATOM 0 H SER A 26 1.279 2.804 -0.337 1.00 0.00 H new ATOM 0 HA SER A 26 -0.996 1.008 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.910 3.969 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.282 3.032 -0.880 1.00 0.00 H new ATOM 0 HG SER A 26 -2.618 3.900 1.245 1.00 0.00 H new ATOM 335 N LYS A 27 0.399 2.032 -2.512 1.00 0.00 N ATOM 336 CA LYS A 27 0.561 1.732 -3.929 1.00 0.00 C ATOM 337 C LYS A 27 1.942 1.149 -4.208 1.00 0.00 C ATOM 338 O LYS A 27 2.940 1.593 -3.640 1.00 0.00 O ATOM 339 CB LYS A 27 0.351 2.996 -4.766 1.00 0.00 C ATOM 340 CG LYS A 27 -0.924 3.747 -4.424 1.00 0.00 C ATOM 341 CD LYS A 27 -2.153 2.873 -4.609 1.00 0.00 C ATOM 342 CE LYS A 27 -3.372 3.699 -4.993 1.00 0.00 C ATOM 343 NZ LYS A 27 -3.871 4.515 -3.852 1.00 0.00 N ATOM 0 H LYS A 27 1.048 2.732 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.189 0.991 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.203 3.661 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.330 2.724 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.876 4.096 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.007 4.631 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.959 2.129 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.356 2.329 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.118 4.355 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.165 3.036 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.702 5.063 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.137 3.887 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.123 5.165 -3.537 1.00 0.00 H new ATOM 357 N ARG A 28 1.993 0.153 -5.087 1.00 0.00 N ATOM 358 CA ARG A 28 3.252 -0.490 -5.441 1.00 0.00 C ATOM 359 C ARG A 28 3.808 0.081 -6.742 1.00 0.00 C ATOM 360 O ARG A 28 3.111 0.790 -7.469 1.00 0.00 O ATOM 361 CB ARG A 28 3.057 -2.001 -5.577 1.00 0.00 C ATOM 362 CG ARG A 28 3.058 -2.738 -4.248 1.00 0.00 C ATOM 363 CD ARG A 28 3.234 -4.236 -4.441 1.00 0.00 C ATOM 364 NE ARG A 28 1.952 -4.928 -4.548 1.00 0.00 N ATOM 365 CZ ARG A 28 1.237 -4.981 -5.667 1.00 0.00 C ATOM 366 NH1 ARG A 28 1.676 -4.387 -6.768 1.00 0.00 N ATOM 367 NH2 ARG A 28 0.080 -5.630 -5.685 1.00 0.00 N ATOM 0 H ARG A 28 1.177 -0.226 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 28 3.968 -0.293 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.113 -2.192 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.849 -2.406 -6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.861 -2.354 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.122 -2.545 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.821 -4.419 -5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.798 -4.646 -3.603 1.00 0.00 H new ATOM 0 HE ARG A 28 1.586 -5.396 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.565 -3.887 -6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.125 -4.430 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.261 -6.088 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.469 -5.671 -6.544 1.00 0.00 H new ATOM 381 N CYS A 29 5.067 -0.231 -7.030 1.00 0.00 N ATOM 382 CA CYS A 29 5.717 0.251 -8.242 1.00 0.00 C ATOM 383 C CYS A 29 4.902 -0.114 -9.479 1.00 0.00 C ATOM 384 O CYS A 29 4.751 -1.290 -9.811 1.00 0.00 O ATOM 385 CB CYS A 29 7.127 -0.332 -8.356 1.00 0.00 C ATOM 386 SG CYS A 29 8.200 0.542 -9.541 1.00 0.00 S ATOM 0 H CYS A 29 5.658 -0.816 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 29 5.784 1.337 -8.181 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.597 -0.312 -7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.053 -1.378 -8.653 1.00 0.00 H new ATOM 391 N SER A 30 4.378 0.902 -10.158 1.00 0.00 N ATOM 392 CA SER A 30 3.575 0.688 -11.356 1.00 0.00 C ATOM 393 C SER A 30 4.442 0.194 -12.510 1.00 0.00 C ATOM 394 O SER A 30 3.948 -0.056 -13.609 1.00 0.00 O ATOM 395 CB SER A 30 2.863 1.982 -11.756 1.00 0.00 C ATOM 396 OG SER A 30 1.808 1.723 -12.666 1.00 0.00 O ATOM 0 H SER A 30 4.495 1.881 -9.899 1.00 0.00 H new ATOM 0 HA SER A 30 2.829 -0.075 -11.132 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.468 2.473 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.578 2.669 -12.209 1.00 0.00 H new ATOM 0 HG SER A 30 2.112 1.087 -13.347 1.00 0.00 H new ATOM 402 N ARG A 31 5.738 0.055 -12.250 1.00 0.00 N ATOM 403 CA ARG A 31 6.675 -0.408 -13.267 1.00 0.00 C ATOM 404 C ARG A 31 6.836 -1.924 -13.207 1.00 0.00 C ATOM 405 O ARG A 31 6.800 -2.604 -14.233 1.00 0.00 O ATOM 406 CB ARG A 31 8.035 0.268 -13.083 1.00 0.00 C ATOM 407 CG ARG A 31 8.002 1.772 -13.297 1.00 0.00 C ATOM 408 CD ARG A 31 9.054 2.478 -12.456 1.00 0.00 C ATOM 409 NE ARG A 31 8.887 3.929 -12.475 1.00 0.00 N ATOM 410 CZ ARG A 31 9.386 4.714 -13.423 1.00 0.00 C ATOM 411 NH1 ARG A 31 10.079 4.191 -14.425 1.00 0.00 N ATOM 412 NH2 ARG A 31 9.191 6.025 -13.370 1.00 0.00 N ATOM 0 H ARG A 31 6.163 0.256 -11.345 1.00 0.00 H new ATOM 0 HA ARG A 31 6.274 -0.141 -14.245 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.401 0.061 -12.077 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.748 -0.174 -13.779 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.168 1.994 -14.351 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.014 2.155 -13.042 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.996 2.120 -11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.046 2.222 -12.827 1.00 0.00 H new ATOM 0 HE ARG A 31 8.358 4.363 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.230 3.183 -14.469 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.461 4.796 -15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.658 6.431 -12.601 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.574 6.627 -14.098 1.00 0.00 H new ATOM 426 N CYS A 32 7.015 -2.448 -11.999 1.00 0.00 N ATOM 427 CA CYS A 32 7.183 -3.883 -11.804 1.00 0.00 C ATOM 428 C CYS A 32 6.182 -4.414 -10.781 1.00 0.00 C ATOM 429 O CYS A 32 5.864 -5.602 -10.770 1.00 0.00 O ATOM 430 CB CYS A 32 8.609 -4.193 -11.347 1.00 0.00 C ATOM 431 SG CYS A 32 9.116 -3.307 -9.838 1.00 0.00 S ATOM 0 H CYS A 32 7.047 -1.900 -11.140 1.00 0.00 H new ATOM 0 HA CYS A 32 6.999 -4.378 -12.757 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.698 -5.265 -11.173 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.300 -3.942 -12.152 1.00 0.00 H new ATOM 436 N GLN A 33 5.691 -3.524 -9.925 1.00 0.00 N ATOM 437 CA GLN A 33 4.727 -3.903 -8.899 1.00 0.00 C ATOM 438 C GLN A 33 5.346 -4.882 -7.907 1.00 0.00 C ATOM 439 O GLN A 33 4.650 -5.714 -7.325 1.00 0.00 O ATOM 440 CB GLN A 33 3.485 -4.523 -9.540 1.00 0.00 C ATOM 441 CG GLN A 33 2.998 -3.776 -10.771 1.00 0.00 C ATOM 442 CD GLN A 33 3.678 -4.243 -12.043 1.00 0.00 C ATOM 443 OE1 GLN A 33 3.391 -5.326 -12.553 1.00 0.00 O ATOM 444 NE2 GLN A 33 4.586 -3.425 -12.564 1.00 0.00 N ATOM 0 H GLN A 33 5.945 -2.536 -9.922 1.00 0.00 H new ATOM 0 HA GLN A 33 4.436 -3.002 -8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.705 -5.555 -9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.683 -4.553 -8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.921 -3.909 -10.870 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.177 -2.709 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.793 -2.536 -12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.076 -3.686 -13.420 1.00 0.00 H new ATOM 453 N ASN A 34 6.657 -4.778 -7.719 1.00 0.00 N ATOM 454 CA ASN A 34 7.370 -5.656 -6.798 1.00 0.00 C ATOM 455 C ASN A 34 7.877 -4.878 -5.587 1.00 0.00 C ATOM 456 O ASN A 34 8.509 -5.443 -4.695 1.00 0.00 O ATOM 457 CB ASN A 34 8.541 -6.334 -7.510 1.00 0.00 C ATOM 458 CG ASN A 34 8.117 -7.580 -8.265 1.00 0.00 C ATOM 459 OD1 ASN A 34 8.527 -8.691 -7.930 1.00 0.00 O ATOM 460 ND2 ASN A 34 7.292 -7.398 -9.289 1.00 0.00 N ATOM 0 H ASN A 34 7.248 -4.094 -8.192 1.00 0.00 H new ATOM 0 HA ASN A 34 6.674 -6.420 -6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.997 -5.629 -8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.304 -6.598 -6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.972 -8.198 -9.835 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.978 -6.458 -9.530 1.00 0.00 H new ATOM 467 N GLU A 35 7.595 -3.579 -5.565 1.00 0.00 N ATOM 468 CA GLU A 35 8.023 -2.724 -4.464 1.00 0.00 C ATOM 469 C GLU A 35 6.850 -1.919 -3.913 1.00 0.00 C ATOM 470 O GLU A 35 5.799 -1.821 -4.545 1.00 0.00 O ATOM 471 CB GLU A 35 9.133 -1.778 -4.926 1.00 0.00 C ATOM 472 CG GLU A 35 9.813 -1.036 -3.788 1.00 0.00 C ATOM 473 CD GLU A 35 10.271 -1.962 -2.678 1.00 0.00 C ATOM 474 OE1 GLU A 35 9.455 -2.258 -1.780 1.00 0.00 O ATOM 475 OE2 GLU A 35 11.443 -2.390 -2.707 1.00 0.00 O ATOM 0 H GLU A 35 7.073 -3.096 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 35 8.408 -3.363 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.882 -2.350 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.714 -1.052 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.672 -0.490 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.124 -0.297 -3.378 1.00 0.00 H new ATOM 482 N TRP A 36 7.039 -1.345 -2.730 1.00 0.00 N ATOM 483 CA TRP A 36 5.997 -0.548 -2.092 1.00 0.00 C ATOM 484 C TRP A 36 6.490 0.866 -1.809 1.00 0.00 C ATOM 485 O TRP A 36 7.681 1.087 -1.592 1.00 0.00 O ATOM 486 CB TRP A 36 5.541 -1.213 -0.792 1.00 0.00 C ATOM 487 CG TRP A 36 4.706 -2.438 -1.013 1.00 0.00 C ATOM 488 CD1 TRP A 36 5.127 -3.737 -0.964 1.00 0.00 C ATOM 489 CD2 TRP A 36 3.308 -2.479 -1.318 1.00 0.00 C ATOM 490 NE1 TRP A 36 4.075 -4.582 -1.221 1.00 0.00 N ATOM 491 CE2 TRP A 36 2.948 -3.835 -1.440 1.00 0.00 C ATOM 492 CE3 TRP A 36 2.325 -1.502 -1.498 1.00 0.00 C ATOM 493 CZ2 TRP A 36 1.647 -4.236 -1.735 1.00 0.00 C ATOM 494 CZ3 TRP A 36 1.035 -1.902 -1.791 1.00 0.00 C ATOM 495 CH2 TRP A 36 0.705 -3.259 -1.906 1.00 0.00 C ATOM 0 H TRP A 36 7.903 -1.416 -2.193 1.00 0.00 H new ATOM 0 HA TRP A 36 5.151 -0.487 -2.776 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.418 -1.481 -0.202 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.970 -0.494 -0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.138 -4.053 -0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.125 -5.600 -1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 36 2.569 -0.454 -1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.391 -5.281 -1.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.268 -1.156 -1.934 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.313 -3.539 -2.134 1.00 0.00 H new ATOM 506 N TYR A 37 5.566 1.821 -1.811 1.00 0.00 N ATOM 507 CA TYR A 37 5.908 3.216 -1.556 1.00 0.00 C ATOM 508 C TYR A 37 4.700 3.986 -1.033 1.00 0.00 C ATOM 509 O TYR A 37 3.628 3.968 -1.638 1.00 0.00 O ATOM 510 CB TYR A 37 6.435 3.875 -2.831 1.00 0.00 C ATOM 511 CG TYR A 37 7.721 3.265 -3.342 1.00 0.00 C ATOM 512 CD1 TYR A 37 8.952 3.679 -2.850 1.00 0.00 C ATOM 513 CD2 TYR A 37 7.704 2.276 -4.317 1.00 0.00 C ATOM 514 CE1 TYR A 37 10.130 3.125 -3.314 1.00 0.00 C ATOM 515 CE2 TYR A 37 8.876 1.715 -4.786 1.00 0.00 C ATOM 516 CZ TYR A 37 10.086 2.143 -4.282 1.00 0.00 C ATOM 517 OH TYR A 37 11.256 1.588 -4.747 1.00 0.00 O ATOM 0 H TYR A 37 4.575 1.655 -1.986 1.00 0.00 H new ATOM 0 HA TYR A 37 6.688 3.239 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.674 3.802 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.596 4.936 -2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.989 4.447 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.758 1.940 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.079 3.459 -2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.845 0.946 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 37 12.001 1.868 -4.175 1.00 0.00 H new ATOM 527 N CYS A 38 4.882 4.664 0.096 1.00 0.00 N ATOM 528 CA CYS A 38 3.808 5.442 0.702 1.00 0.00 C ATOM 529 C CYS A 38 3.382 6.586 -0.213 1.00 0.00 C ATOM 530 O CYS A 38 2.200 6.926 -0.288 1.00 0.00 O ATOM 531 CB CYS A 38 4.255 5.997 2.056 1.00 0.00 C ATOM 532 SG CYS A 38 5.411 7.399 1.940 1.00 0.00 S ATOM 0 H CYS A 38 5.763 4.690 0.609 1.00 0.00 H new ATOM 0 HA CYS A 38 2.953 4.782 0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.374 6.311 2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.727 5.197 2.627 1.00 0.00 H new ATOM 537 N CYS A 39 4.350 7.174 -0.906 1.00 0.00 N ATOM 538 CA CYS A 39 4.075 8.280 -1.816 1.00 0.00 C ATOM 539 C CYS A 39 4.872 8.132 -3.108 1.00 0.00 C ATOM 540 O CYS A 39 5.763 7.287 -3.206 1.00 0.00 O ATOM 541 CB CYS A 39 4.411 9.614 -1.147 1.00 0.00 C ATOM 542 SG CYS A 39 3.088 10.269 -0.102 1.00 0.00 S ATOM 0 H CYS A 39 5.332 6.904 -0.855 1.00 0.00 H new ATOM 0 HA CYS A 39 3.013 8.261 -2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.309 9.489 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.646 10.347 -1.919 1.00 0.00 H new ATOM 0 HG CYS A 39 3.467 11.397 0.421 1.00 0.00 H new ATOM 548 N ARG A 40 4.544 8.956 -4.098 1.00 0.00 N ATOM 549 CA ARG A 40 5.226 8.914 -5.385 1.00 0.00 C ATOM 550 C ARG A 40 6.676 9.371 -5.247 1.00 0.00 C ATOM 551 O ARG A 40 7.588 8.743 -5.784 1.00 0.00 O ATOM 552 CB ARG A 40 4.498 9.795 -6.402 1.00 0.00 C ATOM 553 CG ARG A 40 5.129 9.779 -7.784 1.00 0.00 C ATOM 554 CD ARG A 40 4.614 8.616 -8.618 1.00 0.00 C ATOM 555 NE ARG A 40 4.718 8.882 -10.051 1.00 0.00 N ATOM 556 CZ ARG A 40 5.837 8.722 -10.749 1.00 0.00 C ATOM 557 NH1 ARG A 40 6.942 8.299 -10.149 1.00 0.00 N ATOM 558 NH2 ARG A 40 5.853 8.984 -12.049 1.00 0.00 N ATOM 0 H ARG A 40 3.810 9.661 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 40 5.219 7.883 -5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.462 9.464 -6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.478 10.820 -6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.914 10.718 -8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.213 9.709 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.179 7.717 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.574 8.418 -8.361 1.00 0.00 H new ATOM 0 HE ARG A 40 3.886 9.208 -10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.934 8.096 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.800 8.177 -10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.005 9.309 -12.514 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.713 8.861 -12.584 1.00 0.00 H new ATOM 572 N GLU A 41 6.879 10.468 -4.525 1.00 0.00 N ATOM 573 CA GLU A 41 8.217 11.009 -4.318 1.00 0.00 C ATOM 574 C GLU A 41 9.190 9.909 -3.901 1.00 0.00 C ATOM 575 O GLU A 41 10.246 9.735 -4.510 1.00 0.00 O ATOM 576 CB GLU A 41 8.188 12.109 -3.255 1.00 0.00 C ATOM 577 CG GLU A 41 9.231 13.192 -3.472 1.00 0.00 C ATOM 578 CD GLU A 41 9.154 14.294 -2.432 1.00 0.00 C ATOM 579 OE1 GLU A 41 8.654 14.026 -1.320 1.00 0.00 O ATOM 580 OE2 GLU A 41 9.593 15.424 -2.732 1.00 0.00 O ATOM 0 H GLU A 41 6.134 10.999 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 41 8.559 11.435 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.199 12.566 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.342 11.659 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.224 12.744 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.100 13.624 -4.464 1.00 0.00 H new ATOM 587 N CYS A 42 8.826 9.170 -2.858 1.00 0.00 N ATOM 588 CA CYS A 42 9.665 8.088 -2.358 1.00 0.00 C ATOM 589 C CYS A 42 10.021 7.113 -3.477 1.00 0.00 C ATOM 590 O CYS A 42 11.193 6.811 -3.700 1.00 0.00 O ATOM 591 CB CYS A 42 8.953 7.344 -1.226 1.00 0.00 C ATOM 592 SG CYS A 42 9.008 8.205 0.379 1.00 0.00 S ATOM 0 H CYS A 42 7.955 9.301 -2.343 1.00 0.00 H new ATOM 0 HA CYS A 42 10.587 8.525 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.912 7.188 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 42 9.404 6.358 -1.113 1.00 0.00 H new ATOM 597 N GLN A 43 9.001 6.626 -4.176 1.00 0.00 N ATOM 598 CA GLN A 43 9.206 5.686 -5.272 1.00 0.00 C ATOM 599 C GLN A 43 10.158 6.264 -6.314 1.00 0.00 C ATOM 600 O GLN A 43 10.663 5.543 -7.175 1.00 0.00 O ATOM 601 CB GLN A 43 7.869 5.332 -5.925 1.00 0.00 C ATOM 602 CG GLN A 43 7.991 4.309 -7.043 1.00 0.00 C ATOM 603 CD GLN A 43 6.686 4.099 -7.786 1.00 0.00 C ATOM 604 OE1 GLN A 43 5.646 4.632 -7.400 1.00 0.00 O ATOM 605 NE2 GLN A 43 6.735 3.318 -8.859 1.00 0.00 N ATOM 0 H GLN A 43 8.025 6.866 -4.003 1.00 0.00 H new ATOM 0 HA GLN A 43 9.653 4.780 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.192 4.946 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.416 6.240 -6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.757 4.635 -7.747 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.325 3.359 -6.626 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.619 2.896 -9.143 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.888 3.140 -9.399 1.00 0.00 H new ATOM 614 N VAL A 44 10.398 7.568 -6.231 1.00 0.00 N ATOM 615 CA VAL A 44 11.290 8.243 -7.166 1.00 0.00 C ATOM 616 C VAL A 44 12.654 8.500 -6.537 1.00 0.00 C ATOM 617 O VAL A 44 13.682 8.449 -7.213 1.00 0.00 O ATOM 618 CB VAL A 44 10.695 9.582 -7.642 1.00 0.00 C ATOM 619 CG1 VAL A 44 11.558 10.190 -8.737 1.00 0.00 C ATOM 620 CG2 VAL A 44 9.265 9.389 -8.123 1.00 0.00 C ATOM 0 H VAL A 44 9.987 8.179 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 44 11.409 7.581 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 44 10.679 10.273 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.122 11.135 -9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.563 10.366 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.608 9.505 -9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.861 10.345 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.252 8.682 -8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.656 9.002 -7.306 1.00 0.00 H new ATOM 630 N LYS A 45 12.657 8.776 -5.237 1.00 0.00 N ATOM 631 CA LYS A 45 13.896 9.040 -4.514 1.00 0.00 C ATOM 632 C LYS A 45 14.739 7.774 -4.399 1.00 0.00 C ATOM 633 O LYS A 45 15.938 7.787 -4.680 1.00 0.00 O ATOM 634 CB LYS A 45 13.588 9.589 -3.119 1.00 0.00 C ATOM 635 CG LYS A 45 12.908 10.947 -3.136 1.00 0.00 C ATOM 636 CD LYS A 45 12.784 11.526 -1.736 1.00 0.00 C ATOM 637 CE LYS A 45 11.919 12.777 -1.725 1.00 0.00 C ATOM 638 NZ LYS A 45 12.330 13.726 -0.654 1.00 0.00 N ATOM 0 H LYS A 45 11.815 8.823 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 45 14.464 9.783 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.951 8.880 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.517 9.664 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.477 11.632 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.917 10.853 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.354 10.779 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.775 11.764 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.984 13.272 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.876 12.496 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.716 14.565 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.244 13.262 0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.318 14.014 -0.806 1.00 0.00 H new ATOM 652 N HIS A 46 14.105 6.681 -3.986 1.00 0.00 N ATOM 653 CA HIS A 46 14.797 5.406 -3.837 1.00 0.00 C ATOM 654 C HIS A 46 15.044 4.760 -5.197 1.00 0.00 C ATOM 655 O HIS A 46 15.767 3.769 -5.301 1.00 0.00 O ATOM 656 CB HIS A 46 13.984 4.461 -2.951 1.00 0.00 C ATOM 657 CG HIS A 46 14.596 3.102 -2.805 1.00 0.00 C ATOM 658 ND1 HIS A 46 14.059 1.969 -3.379 1.00 0.00 N ATOM 659 CD2 HIS A 46 15.708 2.698 -2.146 1.00 0.00 C ATOM 660 CE1 HIS A 46 14.813 0.927 -3.078 1.00 0.00 C ATOM 661 NE2 HIS A 46 15.820 1.342 -2.331 1.00 0.00 N ATOM 0 H HIS A 46 13.113 6.653 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 46 15.760 5.597 -3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.873 4.908 -1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 46 12.983 4.357 -3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 46 16.381 3.325 -1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.636 -0.092 -3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 46 16.561 0.751 -1.953 1.00 0.00 H new ATOM 669 N TRP A 47 14.440 5.326 -6.234 1.00 0.00 N ATOM 670 CA TRP A 47 14.595 4.804 -7.587 1.00 0.00 C ATOM 671 C TRP A 47 16.041 4.401 -7.853 1.00 0.00 C ATOM 672 O TRP A 47 16.332 3.233 -8.104 1.00 0.00 O ATOM 673 CB TRP A 47 14.146 5.847 -8.613 1.00 0.00 C ATOM 674 CG TRP A 47 14.225 5.360 -10.028 1.00 0.00 C ATOM 675 CD1 TRP A 47 15.027 5.849 -11.019 1.00 0.00 C ATOM 676 CD2 TRP A 47 13.471 4.291 -10.610 1.00 0.00 C ATOM 677 NE1 TRP A 47 14.818 5.148 -12.182 1.00 0.00 N ATOM 678 CE2 TRP A 47 13.869 4.186 -11.957 1.00 0.00 C ATOM 679 CE3 TRP A 47 12.501 3.410 -10.124 1.00 0.00 C ATOM 680 CZ2 TRP A 47 13.329 3.238 -12.821 1.00 0.00 C ATOM 681 CZ3 TRP A 47 11.966 2.470 -10.983 1.00 0.00 C ATOM 682 CH2 TRP A 47 12.381 2.388 -12.319 1.00 0.00 C ATOM 0 H TRP A 47 13.838 6.147 -6.165 1.00 0.00 H new ATOM 0 HA TRP A 47 13.967 3.918 -7.682 1.00 0.00 H new ATOM 0 HB2 TRP A 47 13.120 6.143 -8.395 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.764 6.739 -8.508 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.723 6.667 -10.905 1.00 0.00 H new ATOM 0 HE1 TRP A 47 15.292 5.317 -13.069 1.00 0.00 H new ATOM 0 HE3 TRP A 47 12.176 3.463 -9.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.647 3.175 -13.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.214 1.786 -10.618 1.00 0.00 H new ATOM 0 HH2 TRP A 47 11.945 1.640 -12.965 1.00 0.00 H new ATOM 693 N GLU A 48 16.942 5.377 -7.797 1.00 0.00 N ATOM 694 CA GLU A 48 18.359 5.121 -8.032 1.00 0.00 C ATOM 695 C GLU A 48 18.767 3.762 -7.473 1.00 0.00 C ATOM 696 O GLU A 48 19.671 3.109 -7.994 1.00 0.00 O ATOM 697 CB GLU A 48 19.211 6.223 -7.398 1.00 0.00 C ATOM 698 CG GLU A 48 20.699 6.070 -7.664 1.00 0.00 C ATOM 699 CD GLU A 48 21.521 7.177 -7.032 1.00 0.00 C ATOM 700 OE1 GLU A 48 21.075 7.735 -6.008 1.00 0.00 O ATOM 701 OE2 GLU A 48 22.609 7.485 -7.562 1.00 0.00 O ATOM 0 H GLU A 48 16.717 6.350 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 48 18.527 5.116 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.880 7.190 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.041 6.228 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 21.036 5.107 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.873 6.062 -8.740 1.00 0.00 H new ATOM 708 N LYS A 49 18.094 3.341 -6.407 1.00 0.00 N ATOM 709 CA LYS A 49 18.384 2.060 -5.775 1.00 0.00 C ATOM 710 C LYS A 49 17.414 0.985 -6.254 1.00 0.00 C ATOM 711 O LYS A 49 17.795 -0.171 -6.441 1.00 0.00 O ATOM 712 CB LYS A 49 18.307 2.189 -4.252 1.00 0.00 C ATOM 713 CG LYS A 49 19.217 3.266 -3.687 1.00 0.00 C ATOM 714 CD LYS A 49 18.646 3.866 -2.413 1.00 0.00 C ATOM 715 CE LYS A 49 19.659 4.762 -1.716 1.00 0.00 C ATOM 716 NZ LYS A 49 19.556 6.176 -2.174 1.00 0.00 N ATOM 0 H LYS A 49 17.343 3.869 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 49 19.395 1.765 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.278 2.407 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.567 1.231 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.200 2.842 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.357 4.052 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.752 4.442 -2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.341 3.066 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.503 4.717 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.666 4.390 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.262 6.755 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.730 6.223 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.604 6.539 -1.968 1.00 0.00 H new ATOM 730 N HIS A 50 16.158 1.373 -6.452 1.00 0.00 N ATOM 731 CA HIS A 50 15.134 0.442 -6.912 1.00 0.00 C ATOM 732 C HIS A 50 15.383 0.030 -8.359 1.00 0.00 C ATOM 733 O HIS A 50 15.534 -1.153 -8.661 1.00 0.00 O ATOM 734 CB HIS A 50 13.747 1.072 -6.781 1.00 0.00 C ATOM 735 CG HIS A 50 12.634 0.166 -7.210 1.00 0.00 C ATOM 736 ND1 HIS A 50 12.459 -1.104 -6.702 1.00 0.00 N ATOM 737 CD2 HIS A 50 11.635 0.353 -8.105 1.00 0.00 C ATOM 738 CE1 HIS A 50 11.402 -1.659 -7.266 1.00 0.00 C ATOM 739 NE2 HIS A 50 10.883 -0.796 -8.121 1.00 0.00 N ATOM 0 H HIS A 50 15.825 2.325 -6.301 1.00 0.00 H new ATOM 0 HA HIS A 50 15.182 -0.449 -6.286 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.587 1.365 -5.743 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.713 1.983 -7.378 1.00 0.00 H new ATOM 0 HD1 HIS A 50 13.053 -1.546 -6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.462 1.240 -8.696 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.025 -2.651 -7.063 1.00 0.00 H new ATOM 747 N GLY A 51 15.426 1.016 -9.251 1.00 0.00 N ATOM 748 CA GLY A 51 15.657 0.735 -10.656 1.00 0.00 C ATOM 749 C GLY A 51 16.585 -0.444 -10.867 1.00 0.00 C ATOM 750 O GLY A 51 16.445 -1.190 -11.837 1.00 0.00 O ATOM 0 H GLY A 51 15.305 2.003 -9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.703 0.535 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.081 1.618 -11.135 1.00 0.00 H new ATOM 754 N LYS A 52 17.539 -0.614 -9.958 1.00 0.00 N ATOM 755 CA LYS A 52 18.496 -1.711 -10.047 1.00 0.00 C ATOM 756 C LYS A 52 17.781 -3.040 -10.270 1.00 0.00 C ATOM 757 O LYS A 52 18.111 -3.788 -11.191 1.00 0.00 O ATOM 758 CB LYS A 52 19.342 -1.782 -8.774 1.00 0.00 C ATOM 759 CG LYS A 52 20.176 -0.537 -8.528 1.00 0.00 C ATOM 760 CD LYS A 52 21.468 -0.867 -7.799 1.00 0.00 C ATOM 761 CE LYS A 52 21.290 -0.802 -6.290 1.00 0.00 C ATOM 762 NZ LYS A 52 22.422 -1.447 -5.569 1.00 0.00 N ATOM 0 H LYS A 52 17.670 -0.005 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 52 19.149 -1.522 -10.899 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.685 -1.944 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 52 20.004 -2.646 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.406 -0.058 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.599 0.179 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.803 -1.864 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 52 22.248 -0.169 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.208 0.239 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.357 -1.292 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.263 -1.382 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.485 -2.447 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.310 -0.963 -5.813 1.00 0.00 H new ATOM 776 N THR A 53 16.798 -3.328 -9.422 1.00 0.00 N ATOM 777 CA THR A 53 16.036 -4.566 -9.527 1.00 0.00 C ATOM 778 C THR A 53 14.690 -4.328 -10.201 1.00 0.00 C ATOM 779 O THR A 53 14.005 -5.272 -10.594 1.00 0.00 O ATOM 780 CB THR A 53 15.800 -5.199 -8.143 1.00 0.00 C ATOM 781 OG1 THR A 53 14.872 -4.406 -7.394 1.00 0.00 O ATOM 782 CG2 THR A 53 17.107 -5.321 -7.373 1.00 0.00 C ATOM 0 H THR A 53 16.511 -2.720 -8.655 1.00 0.00 H new ATOM 0 HA THR A 53 16.627 -5.250 -10.135 1.00 0.00 H new ATOM 0 HB THR A 53 15.389 -6.198 -8.290 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.726 -4.816 -6.516 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.915 -5.771 -6.399 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.801 -5.949 -7.932 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.542 -4.331 -7.236 1.00 0.00 H new ATOM 790 N CYS A 54 14.315 -3.060 -10.331 1.00 0.00 N ATOM 791 CA CYS A 54 13.050 -2.696 -10.958 1.00 0.00 C ATOM 792 C CYS A 54 12.848 -3.464 -12.261 1.00 0.00 C ATOM 793 O CYS A 54 13.784 -4.060 -12.794 1.00 0.00 O ATOM 794 CB CYS A 54 13.004 -1.191 -11.228 1.00 0.00 C ATOM 795 SG CYS A 54 11.363 -0.574 -11.722 1.00 0.00 S ATOM 0 H CYS A 54 14.870 -2.266 -10.010 1.00 0.00 H new ATOM 0 HA CYS A 54 12.245 -2.960 -10.272 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.324 -0.662 -10.331 1.00 0.00 H new ATOM 0 HB3 CYS A 54 13.722 -0.951 -12.013 1.00 0.00 H new ATOM 800 N SER A 55 11.620 -3.445 -12.769 1.00 0.00 N ATOM 801 CA SER A 55 11.294 -4.142 -14.008 1.00 0.00 C ATOM 802 C SER A 55 11.586 -5.635 -13.884 1.00 0.00 C ATOM 803 O SER A 55 12.087 -6.260 -14.818 1.00 0.00 O ATOM 804 CB SER A 55 12.086 -3.551 -15.175 1.00 0.00 C ATOM 805 OG SER A 55 11.447 -3.814 -16.411 1.00 0.00 O ATOM 0 H SER A 55 10.834 -2.955 -12.342 1.00 0.00 H new ATOM 0 HA SER A 55 10.229 -4.012 -14.199 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.192 -2.475 -15.039 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.092 -3.971 -15.186 1.00 0.00 H new ATOM 0 HG SER A 55 11.316 -4.780 -16.512 1.00 0.00 H new ATOM 811 N GLY A 56 11.268 -6.200 -12.723 1.00 0.00 N ATOM 812 CA GLY A 56 11.504 -7.614 -12.497 1.00 0.00 C ATOM 813 C GLY A 56 10.630 -8.493 -13.369 1.00 0.00 C ATOM 814 O GLY A 56 10.711 -8.463 -14.597 1.00 0.00 O ATOM 0 H GLY A 56 10.851 -5.704 -11.935 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.552 -7.840 -12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.318 -7.847 -11.449 1.00 0.00 H new ATOM 818 N PRO A 57 9.771 -9.301 -12.729 1.00 0.00 N ATOM 819 CA PRO A 57 8.863 -10.210 -13.435 1.00 0.00 C ATOM 820 C PRO A 57 7.760 -9.464 -14.179 1.00 0.00 C ATOM 821 O PRO A 57 6.858 -10.078 -14.749 1.00 0.00 O ATOM 822 CB PRO A 57 8.269 -11.062 -12.311 1.00 0.00 C ATOM 823 CG PRO A 57 8.371 -10.208 -11.094 1.00 0.00 C ATOM 824 CD PRO A 57 9.621 -9.389 -11.267 1.00 0.00 C ATOM 0 HA PRO A 57 9.380 -10.790 -14.200 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.233 -11.329 -12.522 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.820 -11.994 -12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.495 -9.567 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.426 -10.818 -10.192 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.521 -8.403 -10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.483 -9.868 -10.803 1.00 0.00 H new ATOM 832 N SER A 58 7.838 -8.137 -14.169 1.00 0.00 N ATOM 833 CA SER A 58 6.844 -7.308 -14.840 1.00 0.00 C ATOM 834 C SER A 58 6.317 -7.999 -16.094 1.00 0.00 C ATOM 835 O SER A 58 5.119 -8.252 -16.220 1.00 0.00 O ATOM 836 CB SER A 58 7.445 -5.950 -15.206 1.00 0.00 C ATOM 837 OG SER A 58 6.430 -4.998 -15.475 1.00 0.00 O ATOM 0 H SER A 58 8.579 -7.613 -13.704 1.00 0.00 H new ATOM 0 HA SER A 58 6.011 -7.155 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.073 -5.595 -14.389 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.088 -6.057 -16.080 1.00 0.00 H new ATOM 0 HG SER A 58 6.675 -4.137 -15.075 1.00 0.00 H new ATOM 843 N SER A 59 7.222 -8.300 -17.020 1.00 0.00 N ATOM 844 CA SER A 59 6.850 -8.958 -18.267 1.00 0.00 C ATOM 845 C SER A 59 6.258 -10.338 -17.997 1.00 0.00 C ATOM 846 O SER A 59 6.975 -11.338 -17.968 1.00 0.00 O ATOM 847 CB SER A 59 8.067 -9.083 -19.185 1.00 0.00 C ATOM 848 OG SER A 59 8.188 -7.950 -20.028 1.00 0.00 O ATOM 0 H SER A 59 8.218 -8.099 -16.930 1.00 0.00 H new ATOM 0 HA SER A 59 6.094 -8.347 -18.760 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.970 -9.191 -18.584 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.978 -9.984 -19.792 1.00 0.00 H new ATOM 0 HG SER A 59 8.974 -8.053 -20.604 1.00 0.00 H new ATOM 854 N GLY A 60 4.944 -10.384 -17.800 1.00 0.00 N ATOM 855 CA GLY A 60 4.277 -11.646 -17.535 1.00 0.00 C ATOM 856 C GLY A 60 5.094 -12.556 -16.639 1.00 0.00 C ATOM 857 O GLY A 60 5.333 -12.204 -15.485 1.00 0.00 O ATOM 0 H GLY A 60 4.329 -9.570 -17.819 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.312 -11.452 -17.068 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.078 -12.154 -18.479 1.00 0.00 H new TER 861 GLY A 60 HETATM 862 ZN ZN A 201 9.742 -1.093 -10.139 1.00 0.00 ZN HETATM 863 ZN ZN A 401 7.651 6.850 1.701 1.00 0.00 ZN