USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 11 GLN : amide:sc= 0 X(o=0.037,f=0.037) USER MOD Set 1.2: A 13 THR OG1 : rot 55:sc= 0.0369 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.13 USER MOD Single : A 3 SER OG : rot 56:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00804 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot -32:sc= -0.143 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc=-0.00491 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -0.149 (180deg=-0.776) USER MOD Single : A 45 SER OG : rot 28:sc= 0.0485 USER MOD Single : A 48 HIS : no HD1:sc=-0.00623 X(o=-0.0062,f=-0.0035) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.5) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -139:sc= 0.00704 USER MOD Single : A 65 SER OG : rot 6:sc= -0.0788 USER MOD Single : A 68 SER OG : rot 43:sc= 0.287 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.275 -30.954 9.168 1.00 0.00 N ATOM 2 CA GLY A 1 -25.615 -29.590 8.807 1.00 0.00 C ATOM 3 C GLY A 1 -24.762 -29.061 7.672 1.00 0.00 C ATOM 4 O GLY A 1 -23.536 -29.011 7.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.886 -31.269 9.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.415 -31.576 8.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.280 -30.996 9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.665 -29.545 8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.495 -28.946 9.678 1.00 0.00 H new ATOM 8 N SER A 2 -25.410 -28.665 6.581 1.00 0.00 N ATOM 9 CA SER A 2 -24.701 -28.142 5.419 1.00 0.00 C ATOM 10 C SER A 2 -25.600 -27.212 4.608 1.00 0.00 C ATOM 11 O SER A 2 -26.800 -27.112 4.864 1.00 0.00 O ATOM 12 CB SER A 2 -24.208 -29.290 4.537 1.00 0.00 C ATOM 13 OG SER A 2 -23.370 -30.170 5.266 1.00 0.00 O ATOM 0 H SER A 2 -26.424 -28.696 6.478 1.00 0.00 H new ATOM 0 HA SER A 2 -23.843 -27.572 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.061 -29.840 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.663 -28.888 3.683 1.00 0.00 H new ATOM 0 HG SER A 2 -23.070 -30.896 4.680 1.00 0.00 H new ATOM 19 N SER A 3 -25.009 -26.535 3.629 1.00 0.00 N ATOM 20 CA SER A 3 -25.754 -25.610 2.782 1.00 0.00 C ATOM 21 C SER A 3 -24.904 -25.150 1.602 1.00 0.00 C ATOM 22 O SER A 3 -23.676 -25.193 1.653 1.00 0.00 O ATOM 23 CB SER A 3 -26.216 -24.400 3.596 1.00 0.00 C ATOM 24 OG SER A 3 -27.465 -24.649 4.218 1.00 0.00 O ATOM 0 H SER A 3 -24.017 -26.609 3.402 1.00 0.00 H new ATOM 0 HA SER A 3 -26.628 -26.133 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.470 -24.162 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.298 -23.530 2.945 1.00 0.00 H new ATOM 0 HG SER A 3 -27.401 -25.457 4.768 1.00 0.00 H new ATOM 30 N GLY A 4 -25.569 -24.708 0.539 1.00 0.00 N ATOM 31 CA GLY A 4 -24.860 -24.246 -0.640 1.00 0.00 C ATOM 32 C GLY A 4 -25.532 -23.053 -1.290 1.00 0.00 C ATOM 33 O GLY A 4 -26.743 -23.059 -1.512 1.00 0.00 O ATOM 0 H GLY A 4 -26.586 -24.662 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.840 -23.979 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.793 -25.060 -1.362 1.00 0.00 H new ATOM 37 N SER A 5 -24.746 -22.026 -1.596 1.00 0.00 N ATOM 38 CA SER A 5 -25.273 -20.818 -2.220 1.00 0.00 C ATOM 39 C SER A 5 -24.811 -20.709 -3.670 1.00 0.00 C ATOM 40 O SER A 5 -23.741 -21.199 -4.030 1.00 0.00 O ATOM 41 CB SER A 5 -24.831 -19.580 -1.437 1.00 0.00 C ATOM 42 OG SER A 5 -25.615 -19.407 -0.270 1.00 0.00 O ATOM 0 H SER A 5 -23.741 -22.006 -1.422 1.00 0.00 H new ATOM 0 HA SER A 5 -26.361 -20.878 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.781 -19.676 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.916 -18.697 -2.070 1.00 0.00 H new ATOM 0 HG SER A 5 -25.311 -18.610 0.213 1.00 0.00 H new ATOM 48 N SER A 6 -25.627 -20.064 -4.497 1.00 0.00 N ATOM 49 CA SER A 6 -25.305 -19.893 -5.909 1.00 0.00 C ATOM 50 C SER A 6 -24.685 -18.523 -6.163 1.00 0.00 C ATOM 51 O SER A 6 -24.671 -17.662 -5.284 1.00 0.00 O ATOM 52 CB SER A 6 -26.562 -20.063 -6.764 1.00 0.00 C ATOM 53 OG SER A 6 -26.229 -20.262 -8.127 1.00 0.00 O ATOM 0 H SER A 6 -26.516 -19.651 -4.214 1.00 0.00 H new ATOM 0 HA SER A 6 -24.579 -20.658 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.141 -20.912 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.194 -19.181 -6.666 1.00 0.00 H new ATOM 0 HG SER A 6 -27.050 -20.370 -8.652 1.00 0.00 H new ATOM 59 N GLY A 7 -24.171 -18.328 -7.374 1.00 0.00 N ATOM 60 CA GLY A 7 -23.555 -17.061 -7.724 1.00 0.00 C ATOM 61 C GLY A 7 -24.484 -16.165 -8.518 1.00 0.00 C ATOM 62 O GLY A 7 -24.111 -15.653 -9.574 1.00 0.00 O ATOM 0 H GLY A 7 -24.170 -19.025 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.248 -16.546 -6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.651 -17.248 -8.304 1.00 0.00 H new ATOM 66 N ARG A 8 -25.698 -15.976 -8.012 1.00 0.00 N ATOM 67 CA ARG A 8 -26.684 -15.138 -8.683 1.00 0.00 C ATOM 68 C ARG A 8 -27.189 -14.040 -7.752 1.00 0.00 C ATOM 69 O ARG A 8 -28.392 -13.799 -7.654 1.00 0.00 O ATOM 70 CB ARG A 8 -27.859 -15.988 -9.171 1.00 0.00 C ATOM 71 CG ARG A 8 -27.553 -16.788 -10.426 1.00 0.00 C ATOM 72 CD ARG A 8 -28.777 -17.544 -10.918 1.00 0.00 C ATOM 73 NE ARG A 8 -29.023 -18.754 -10.139 1.00 0.00 N ATOM 74 CZ ARG A 8 -29.803 -19.748 -10.550 1.00 0.00 C ATOM 75 NH1 ARG A 8 -30.409 -19.675 -11.727 1.00 0.00 N ATOM 76 NH2 ARG A 8 -29.978 -20.817 -9.785 1.00 0.00 N ATOM 0 H ARG A 8 -26.022 -16.392 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 8 -26.202 -14.669 -9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.155 -16.673 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.712 -15.337 -9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -27.200 -16.117 -11.209 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.747 -17.493 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -29.650 -16.894 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -28.642 -17.809 -11.967 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.571 -18.841 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -30.277 -18.855 -12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -31.007 -20.439 -12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.513 -20.877 -8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -30.577 -21.579 -10.103 1.00 0.00 H new ATOM 90 N VAL A 9 -26.260 -13.377 -7.070 1.00 0.00 N ATOM 91 CA VAL A 9 -26.610 -12.304 -6.147 1.00 0.00 C ATOM 92 C VAL A 9 -25.582 -11.179 -6.197 1.00 0.00 C ATOM 93 O VAL A 9 -24.385 -11.408 -6.022 1.00 0.00 O ATOM 94 CB VAL A 9 -26.719 -12.821 -4.700 1.00 0.00 C ATOM 95 CG1 VAL A 9 -27.220 -11.721 -3.777 1.00 0.00 C ATOM 96 CG2 VAL A 9 -27.629 -14.038 -4.637 1.00 0.00 C ATOM 0 H VAL A 9 -25.260 -13.564 -7.139 1.00 0.00 H new ATOM 0 HA VAL A 9 -27.580 -11.920 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.727 -13.121 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -27.291 -12.104 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.525 -10.881 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -28.203 -11.388 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -27.695 -14.390 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -28.623 -13.768 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -27.222 -14.830 -5.266 1.00 0.00 H new ATOM 106 N LYS A 10 -26.057 -9.961 -6.437 1.00 0.00 N ATOM 107 CA LYS A 10 -25.180 -8.798 -6.509 1.00 0.00 C ATOM 108 C LYS A 10 -24.687 -8.402 -5.121 1.00 0.00 C ATOM 109 O LYS A 10 -25.482 -8.087 -4.237 1.00 0.00 O ATOM 110 CB LYS A 10 -25.913 -7.621 -7.156 1.00 0.00 C ATOM 111 CG LYS A 10 -27.282 -7.352 -6.556 1.00 0.00 C ATOM 112 CD LYS A 10 -27.890 -6.072 -7.104 1.00 0.00 C ATOM 113 CE LYS A 10 -28.834 -5.429 -6.099 1.00 0.00 C ATOM 114 NZ LYS A 10 -29.493 -4.215 -6.656 1.00 0.00 N ATOM 0 H LYS A 10 -27.045 -9.754 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 10 -24.317 -9.062 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -25.301 -6.725 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -26.025 -7.816 -8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -27.945 -8.191 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -27.197 -7.280 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -27.096 -5.371 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -28.431 -6.290 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -29.594 -6.151 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -28.280 -5.161 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -30.128 -3.806 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -28.769 -3.516 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -30.043 -4.475 -7.500 1.00 0.00 H new ATOM 128 N GLN A 11 -23.370 -8.420 -4.939 1.00 0.00 N ATOM 129 CA GLN A 11 -22.772 -8.062 -3.658 1.00 0.00 C ATOM 130 C GLN A 11 -21.262 -7.893 -3.791 1.00 0.00 C ATOM 131 O GLN A 11 -20.601 -8.654 -4.500 1.00 0.00 O ATOM 132 CB GLN A 11 -23.087 -9.129 -2.608 1.00 0.00 C ATOM 133 CG GLN A 11 -22.508 -8.822 -1.237 1.00 0.00 C ATOM 134 CD GLN A 11 -23.218 -9.567 -0.124 1.00 0.00 C ATOM 135 OE1 GLN A 11 -22.661 -10.486 0.478 1.00 0.00 O ATOM 136 NE2 GLN A 11 -24.455 -9.174 0.157 1.00 0.00 N ATOM 0 H GLN A 11 -22.698 -8.678 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 11 -23.199 -7.111 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.169 -9.234 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -22.700 -10.089 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -21.450 -9.083 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -22.573 -7.750 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.878 -8.408 -0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -24.982 -9.638 0.897 1.00 0.00 H new ATOM 145 N LEU A 12 -20.722 -6.891 -3.107 1.00 0.00 N ATOM 146 CA LEU A 12 -19.289 -6.621 -3.148 1.00 0.00 C ATOM 147 C LEU A 12 -18.633 -6.951 -1.811 1.00 0.00 C ATOM 148 O LEU A 12 -18.567 -6.108 -0.915 1.00 0.00 O ATOM 149 CB LEU A 12 -19.036 -5.155 -3.506 1.00 0.00 C ATOM 150 CG LEU A 12 -17.623 -4.634 -3.241 1.00 0.00 C ATOM 151 CD1 LEU A 12 -16.604 -5.415 -4.057 1.00 0.00 C ATOM 152 CD2 LEU A 12 -17.535 -3.148 -3.556 1.00 0.00 C ATOM 0 H LEU A 12 -21.255 -6.252 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 12 -18.847 -7.257 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -19.261 -5.016 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.740 -4.538 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.397 -4.775 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -15.604 -5.030 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.649 -6.469 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.827 -5.306 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.523 -2.794 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.782 -2.983 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -18.237 -2.601 -2.928 1.00 0.00 H new ATOM 164 N THR A 13 -18.148 -8.182 -1.683 1.00 0.00 N ATOM 165 CA THR A 13 -17.496 -8.623 -0.456 1.00 0.00 C ATOM 166 C THR A 13 -16.181 -9.333 -0.756 1.00 0.00 C ATOM 167 O THR A 13 -16.150 -10.550 -0.938 1.00 0.00 O ATOM 168 CB THR A 13 -18.404 -9.568 0.353 1.00 0.00 C ATOM 169 OG1 THR A 13 -19.070 -10.480 -0.527 1.00 0.00 O ATOM 170 CG2 THR A 13 -19.434 -8.779 1.149 1.00 0.00 C ATOM 0 H THR A 13 -18.194 -8.892 -2.414 1.00 0.00 H new ATOM 0 HA THR A 13 -17.296 -7.729 0.135 1.00 0.00 H new ATOM 0 HB THR A 13 -17.780 -10.127 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.407 -10.949 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 13 -20.064 -9.468 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.924 -8.107 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 13 -20.053 -8.197 0.467 1.00 0.00 H new ATOM 178 N ASP A 14 -15.098 -8.566 -0.806 1.00 0.00 N ATOM 179 CA ASP A 14 -13.779 -9.123 -1.082 1.00 0.00 C ATOM 180 C ASP A 14 -13.122 -9.627 0.199 1.00 0.00 C ATOM 181 O ASP A 14 -13.201 -8.981 1.243 1.00 0.00 O ATOM 182 CB ASP A 14 -12.888 -8.073 -1.747 1.00 0.00 C ATOM 183 CG ASP A 14 -13.043 -6.701 -1.121 1.00 0.00 C ATOM 184 OD1 ASP A 14 -13.095 -6.619 0.125 1.00 0.00 O ATOM 185 OD2 ASP A 14 -13.111 -5.709 -1.876 1.00 0.00 O ATOM 0 H ASP A 14 -15.107 -7.557 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.903 -9.967 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.847 -8.386 -1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.131 -8.014 -2.808 1.00 0.00 H new ATOM 190 N GLU A 15 -12.476 -10.785 0.111 1.00 0.00 N ATOM 191 CA GLU A 15 -11.808 -11.376 1.265 1.00 0.00 C ATOM 192 C GLU A 15 -10.407 -10.796 1.439 1.00 0.00 C ATOM 193 O GLU A 15 -9.482 -11.496 1.849 1.00 0.00 O ATOM 194 CB GLU A 15 -11.727 -12.897 1.112 1.00 0.00 C ATOM 195 CG GLU A 15 -10.950 -13.344 -0.115 1.00 0.00 C ATOM 196 CD GLU A 15 -9.475 -13.548 0.172 1.00 0.00 C ATOM 197 OE1 GLU A 15 -9.147 -14.072 1.258 1.00 0.00 O ATOM 198 OE2 GLU A 15 -8.648 -13.183 -0.690 1.00 0.00 O ATOM 0 H GLU A 15 -12.401 -11.332 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.394 -11.138 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.259 -13.319 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.737 -13.303 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.375 -14.274 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.064 -12.600 -0.904 1.00 0.00 H new ATOM 205 N GLU A 16 -10.261 -9.513 1.122 1.00 0.00 N ATOM 206 CA GLU A 16 -8.973 -8.840 1.242 1.00 0.00 C ATOM 207 C GLU A 16 -8.941 -7.942 2.475 1.00 0.00 C ATOM 208 O GLU A 16 -9.957 -7.362 2.859 1.00 0.00 O ATOM 209 CB GLU A 16 -8.686 -8.013 -0.013 1.00 0.00 C ATOM 210 CG GLU A 16 -8.871 -8.787 -1.308 1.00 0.00 C ATOM 211 CD GLU A 16 -7.847 -9.892 -1.478 1.00 0.00 C ATOM 212 OE1 GLU A 16 -6.736 -9.763 -0.922 1.00 0.00 O ATOM 213 OE2 GLU A 16 -8.157 -10.886 -2.168 1.00 0.00 O ATOM 0 H GLU A 16 -11.017 -8.920 0.781 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.202 -9.603 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.343 -7.143 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.663 -7.640 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.872 -9.218 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.802 -8.100 -2.151 1.00 0.00 H new ATOM 220 N GLU A 17 -7.768 -7.832 3.090 1.00 0.00 N ATOM 221 CA GLU A 17 -7.605 -7.006 4.280 1.00 0.00 C ATOM 222 C GLU A 17 -6.246 -6.312 4.279 1.00 0.00 C ATOM 223 O GLU A 17 -5.246 -6.881 3.838 1.00 0.00 O ATOM 224 CB GLU A 17 -7.754 -7.857 5.543 1.00 0.00 C ATOM 225 CG GLU A 17 -9.193 -8.220 5.867 1.00 0.00 C ATOM 226 CD GLU A 17 -9.300 -9.413 6.796 1.00 0.00 C ATOM 227 OE1 GLU A 17 -8.897 -9.286 7.972 1.00 0.00 O ATOM 228 OE2 GLU A 17 -9.785 -10.473 6.349 1.00 0.00 O ATOM 0 H GLU A 17 -6.917 -8.304 2.784 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.383 -6.243 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.175 -8.773 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.326 -7.317 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.685 -7.362 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.726 -8.436 4.941 1.00 0.00 H new ATOM 235 N CYS A 18 -6.216 -5.080 4.774 1.00 0.00 N ATOM 236 CA CYS A 18 -4.982 -4.306 4.830 1.00 0.00 C ATOM 237 C CYS A 18 -3.932 -5.017 5.679 1.00 0.00 C ATOM 238 O CYS A 18 -4.257 -5.896 6.479 1.00 0.00 O ATOM 239 CB CYS A 18 -5.254 -2.912 5.398 1.00 0.00 C ATOM 240 SG CYS A 18 -3.771 -1.863 5.537 1.00 0.00 S ATOM 0 H CYS A 18 -7.034 -4.595 5.143 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.598 -4.208 3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.984 -2.409 4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.707 -3.015 6.384 1.00 0.00 H new ATOM 245 N CYS A 19 -2.674 -4.631 5.500 1.00 0.00 N ATOM 246 CA CYS A 19 -1.576 -5.232 6.250 1.00 0.00 C ATOM 247 C CYS A 19 -1.215 -4.379 7.462 1.00 0.00 C ATOM 248 O CYS A 19 -0.996 -4.900 8.556 1.00 0.00 O ATOM 249 CB CYS A 19 -0.352 -5.405 5.350 1.00 0.00 C ATOM 250 SG CYS A 19 0.804 -6.677 5.912 1.00 0.00 S ATOM 0 H CYS A 19 -2.388 -3.905 4.843 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.901 -6.211 6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.687 -5.653 4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.175 -4.453 5.285 1.00 0.00 H new ATOM 0 HG CYS A 19 0.789 -6.733 7.211 1.00 0.00 H new ATOM 256 N ILE A 20 -1.152 -3.068 7.259 1.00 0.00 N ATOM 257 CA ILE A 20 -0.817 -2.144 8.335 1.00 0.00 C ATOM 258 C ILE A 20 -1.885 -2.156 9.423 1.00 0.00 C ATOM 259 O ILE A 20 -1.663 -2.669 10.520 1.00 0.00 O ATOM 260 CB ILE A 20 -0.650 -0.705 7.810 1.00 0.00 C ATOM 261 CG1 ILE A 20 0.626 -0.588 6.975 1.00 0.00 C ATOM 262 CG2 ILE A 20 -0.625 0.281 8.968 1.00 0.00 C ATOM 263 CD1 ILE A 20 0.963 0.834 6.583 1.00 0.00 C ATOM 0 H ILE A 20 -1.329 -2.621 6.359 1.00 0.00 H new ATOM 0 HA ILE A 20 0.130 -2.481 8.756 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.501 -0.465 7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.459 -1.008 7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.516 -1.189 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.506 1.293 8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.560 0.212 9.525 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.209 0.045 9.629 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.879 0.841 5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.148 1.252 5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.105 1.435 7.481 1.00 0.00 H new ATOM 275 N CYS A 21 -3.045 -1.589 9.111 1.00 0.00 N ATOM 276 CA CYS A 21 -4.150 -1.535 10.061 1.00 0.00 C ATOM 277 C CYS A 21 -4.893 -2.867 10.107 1.00 0.00 C ATOM 278 O CYS A 21 -5.415 -3.262 11.149 1.00 0.00 O ATOM 279 CB CYS A 21 -5.118 -0.411 9.686 1.00 0.00 C ATOM 280 SG CYS A 21 -6.002 -0.684 8.117 1.00 0.00 S ATOM 0 H CYS A 21 -3.245 -1.160 8.207 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.737 -1.335 11.050 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.848 -0.293 10.486 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.563 0.525 9.620 1.00 0.00 H new ATOM 285 N MET A 22 -4.937 -3.553 8.970 1.00 0.00 N ATOM 286 CA MET A 22 -5.615 -4.842 8.881 1.00 0.00 C ATOM 287 C MET A 22 -6.900 -4.837 9.702 1.00 0.00 C ATOM 288 O MET A 22 -7.296 -5.862 10.257 1.00 0.00 O ATOM 289 CB MET A 22 -4.691 -5.962 9.362 1.00 0.00 C ATOM 290 CG MET A 22 -4.208 -5.779 10.792 1.00 0.00 C ATOM 291 SD MET A 22 -3.334 -7.226 11.420 1.00 0.00 S ATOM 292 CE MET A 22 -1.786 -6.488 11.937 1.00 0.00 C ATOM 0 H MET A 22 -4.512 -3.239 8.098 1.00 0.00 H new ATOM 0 HA MET A 22 -5.873 -5.018 7.837 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.216 -6.914 9.283 1.00 0.00 H new ATOM 0 HB3 MET A 22 -3.827 -6.019 8.700 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.549 -4.912 10.841 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.062 -5.567 11.436 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.135 -7.259 12.349 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.300 -6.024 11.079 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.980 -5.732 12.698 1.00 0.00 H new ATOM 302 N ASP A 23 -7.546 -3.679 9.775 1.00 0.00 N ATOM 303 CA ASP A 23 -8.788 -3.542 10.528 1.00 0.00 C ATOM 304 C ASP A 23 -9.946 -3.179 9.605 1.00 0.00 C ATOM 305 O ASP A 23 -10.850 -2.437 9.988 1.00 0.00 O ATOM 306 CB ASP A 23 -8.634 -2.479 11.617 1.00 0.00 C ATOM 307 CG ASP A 23 -9.500 -2.762 12.829 1.00 0.00 C ATOM 308 OD1 ASP A 23 -10.727 -2.917 12.658 1.00 0.00 O ATOM 309 OD2 ASP A 23 -8.950 -2.829 13.948 1.00 0.00 O ATOM 0 H ASP A 23 -7.231 -2.821 9.322 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.008 -4.501 10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.590 -2.427 11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.895 -1.503 11.208 1.00 0.00 H new ATOM 314 N GLY A 24 -9.913 -3.707 8.385 1.00 0.00 N ATOM 315 CA GLY A 24 -10.964 -3.426 7.425 1.00 0.00 C ATOM 316 C GLY A 24 -10.779 -4.180 6.124 1.00 0.00 C ATOM 317 O GLY A 24 -10.878 -5.407 6.090 1.00 0.00 O ATOM 0 H GLY A 24 -9.176 -4.325 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.928 -3.689 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.988 -2.356 7.220 1.00 0.00 H new ATOM 321 N ARG A 25 -10.510 -3.446 5.049 1.00 0.00 N ATOM 322 CA ARG A 25 -10.313 -4.053 3.738 1.00 0.00 C ATOM 323 C ARG A 25 -9.045 -3.521 3.077 1.00 0.00 C ATOM 324 O ARG A 25 -8.332 -2.699 3.652 1.00 0.00 O ATOM 325 CB ARG A 25 -11.521 -3.783 2.840 1.00 0.00 C ATOM 326 CG ARG A 25 -11.501 -2.409 2.189 1.00 0.00 C ATOM 327 CD ARG A 25 -12.884 -2.002 1.705 1.00 0.00 C ATOM 328 NE ARG A 25 -13.195 -2.570 0.396 1.00 0.00 N ATOM 329 CZ ARG A 25 -14.121 -2.076 -0.418 1.00 0.00 C ATOM 330 NH1 ARG A 25 -14.822 -1.009 -0.060 1.00 0.00 N ATOM 331 NH2 ARG A 25 -14.346 -2.649 -1.594 1.00 0.00 N ATOM 0 H ARG A 25 -10.423 -2.430 5.060 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.206 -5.129 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.561 -4.544 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.432 -3.883 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.133 -1.672 2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.807 -2.413 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.632 -2.328 2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.944 -0.915 1.652 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.673 -3.391 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.651 -0.565 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.533 -0.632 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.808 -3.469 -1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.057 -2.269 -2.219 1.00 0.00 H new ATOM 345 N ALA A 26 -8.771 -3.995 1.867 1.00 0.00 N ATOM 346 CA ALA A 26 -7.590 -3.566 1.127 1.00 0.00 C ATOM 347 C ALA A 26 -7.972 -3.012 -0.241 1.00 0.00 C ATOM 348 O ALA A 26 -8.909 -3.494 -0.878 1.00 0.00 O ATOM 349 CB ALA A 26 -6.612 -4.722 0.977 1.00 0.00 C ATOM 0 H ALA A 26 -9.351 -4.677 1.377 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.107 -2.768 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.735 -4.387 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.306 -5.070 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.093 -5.538 0.437 1.00 0.00 H new ATOM 355 N ASP A 27 -7.240 -1.997 -0.688 1.00 0.00 N ATOM 356 CA ASP A 27 -7.501 -1.378 -1.982 1.00 0.00 C ATOM 357 C ASP A 27 -6.496 -1.854 -3.026 1.00 0.00 C ATOM 358 O ASP A 27 -6.814 -1.948 -4.212 1.00 0.00 O ATOM 359 CB ASP A 27 -7.447 0.146 -1.862 1.00 0.00 C ATOM 360 CG ASP A 27 -8.794 0.747 -1.510 1.00 0.00 C ATOM 361 OD1 ASP A 27 -9.801 0.354 -2.135 1.00 0.00 O ATOM 362 OD2 ASP A 27 -8.841 1.612 -0.609 1.00 0.00 O ATOM 0 H ASP A 27 -6.461 -1.586 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.499 -1.675 -2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.719 0.422 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.098 0.570 -2.804 1.00 0.00 H new ATOM 367 N LEU A 28 -5.282 -2.152 -2.577 1.00 0.00 N ATOM 368 CA LEU A 28 -4.228 -2.618 -3.472 1.00 0.00 C ATOM 369 C LEU A 28 -3.437 -3.757 -2.836 1.00 0.00 C ATOM 370 O LEU A 28 -3.348 -3.856 -1.612 1.00 0.00 O ATOM 371 CB LEU A 28 -3.288 -1.466 -3.829 1.00 0.00 C ATOM 372 CG LEU A 28 -2.449 -0.904 -2.680 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.342 -1.876 -2.302 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.867 0.450 -3.057 1.00 0.00 C ATOM 0 H LEU A 28 -5.003 -2.079 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.697 -2.991 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.612 -1.805 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.883 -0.655 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.097 -0.770 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.756 -1.459 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.781 -2.823 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.695 -2.043 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.273 0.834 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.233 0.341 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.677 1.146 -3.277 1.00 0.00 H new ATOM 386 N ILE A 29 -2.863 -4.612 -3.675 1.00 0.00 N ATOM 387 CA ILE A 29 -2.077 -5.742 -3.194 1.00 0.00 C ATOM 388 C ILE A 29 -0.683 -5.743 -3.812 1.00 0.00 C ATOM 389 O ILE A 29 -0.510 -5.405 -4.984 1.00 0.00 O ATOM 390 CB ILE A 29 -2.767 -7.082 -3.508 1.00 0.00 C ATOM 391 CG1 ILE A 29 -4.256 -7.007 -3.163 1.00 0.00 C ATOM 392 CG2 ILE A 29 -2.097 -8.214 -2.744 1.00 0.00 C ATOM 393 CD1 ILE A 29 -5.118 -7.921 -4.006 1.00 0.00 C ATOM 0 H ILE A 29 -2.927 -4.544 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.993 -5.631 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.670 -7.283 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.390 -7.262 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.599 -5.980 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.596 -9.155 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.048 -8.278 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.166 -8.021 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.161 -7.816 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.013 -7.653 -5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.802 -8.954 -3.862 1.00 0.00 H new ATOM 405 N LEU A 30 0.310 -6.129 -3.018 1.00 0.00 N ATOM 406 CA LEU A 30 1.690 -6.177 -3.487 1.00 0.00 C ATOM 407 C LEU A 30 2.108 -7.610 -3.803 1.00 0.00 C ATOM 408 O LEU A 30 1.542 -8.575 -3.290 1.00 0.00 O ATOM 409 CB LEU A 30 2.628 -5.580 -2.436 1.00 0.00 C ATOM 410 CG LEU A 30 2.647 -4.054 -2.342 1.00 0.00 C ATOM 411 CD1 LEU A 30 3.518 -3.602 -1.181 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.137 -3.446 -3.648 1.00 0.00 C ATOM 0 H LEU A 30 0.185 -6.413 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 30 1.758 -5.588 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.350 -5.981 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.641 -5.924 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 30 1.630 -3.707 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.520 -2.513 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.123 -4.009 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.537 -3.960 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.144 -2.359 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.146 -3.800 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.472 -3.742 -4.459 1.00 0.00 H new ATOM 424 N PRO A 31 3.124 -7.753 -4.667 1.00 0.00 N ATOM 425 CA PRO A 31 3.643 -9.064 -5.069 1.00 0.00 C ATOM 426 C PRO A 31 4.379 -9.769 -3.934 1.00 0.00 C ATOM 427 O PRO A 31 4.918 -10.861 -4.114 1.00 0.00 O ATOM 428 CB PRO A 31 4.610 -8.730 -6.207 1.00 0.00 C ATOM 429 CG PRO A 31 5.032 -7.325 -5.945 1.00 0.00 C ATOM 430 CD PRO A 31 3.846 -6.646 -5.317 1.00 0.00 C ATOM 0 HA PRO A 31 2.844 -9.747 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.465 -9.406 -6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.125 -8.823 -7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.896 -7.294 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.323 -6.826 -6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.152 -5.888 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.228 -6.146 -6.063 1.00 0.00 H new ATOM 438 N CYS A 32 4.397 -9.138 -2.765 1.00 0.00 N ATOM 439 CA CYS A 32 5.066 -9.704 -1.600 1.00 0.00 C ATOM 440 C CYS A 32 4.051 -10.139 -0.547 1.00 0.00 C ATOM 441 O CYS A 32 4.409 -10.414 0.598 1.00 0.00 O ATOM 442 CB CYS A 32 6.037 -8.686 -0.999 1.00 0.00 C ATOM 443 SG CYS A 32 5.327 -7.023 -0.777 1.00 0.00 S ATOM 0 H CYS A 32 3.955 -8.234 -2.599 1.00 0.00 H new ATOM 0 HA CYS A 32 5.625 -10.582 -1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.381 -9.055 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.914 -8.612 -1.642 1.00 0.00 H new ATOM 448 N ALA A 33 2.784 -10.199 -0.944 1.00 0.00 N ATOM 449 CA ALA A 33 1.718 -10.602 -0.036 1.00 0.00 C ATOM 450 C ALA A 33 1.444 -9.520 1.004 1.00 0.00 C ATOM 451 O ALA A 33 1.209 -9.817 2.176 1.00 0.00 O ATOM 452 CB ALA A 33 2.074 -11.915 0.647 1.00 0.00 C ATOM 0 H ALA A 33 2.471 -9.974 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 33 0.810 -10.744 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.269 -12.204 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.212 -12.691 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.997 -11.792 1.214 1.00 0.00 H new ATOM 458 N HIS A 34 1.476 -8.265 0.568 1.00 0.00 N ATOM 459 CA HIS A 34 1.231 -7.139 1.462 1.00 0.00 C ATOM 460 C HIS A 34 0.280 -6.133 0.820 1.00 0.00 C ATOM 461 O HIS A 34 0.613 -5.502 -0.183 1.00 0.00 O ATOM 462 CB HIS A 34 2.548 -6.453 1.825 1.00 0.00 C ATOM 463 CG HIS A 34 3.425 -7.275 2.720 1.00 0.00 C ATOM 464 ND1 HIS A 34 4.794 -7.342 2.577 1.00 0.00 N ATOM 465 CD2 HIS A 34 3.119 -8.066 3.775 1.00 0.00 C ATOM 466 CE1 HIS A 34 5.293 -8.140 3.504 1.00 0.00 C ATOM 467 NE2 HIS A 34 4.298 -8.592 4.244 1.00 0.00 N ATOM 0 H HIS A 34 1.669 -8.002 -0.398 1.00 0.00 H new ATOM 0 HA HIS A 34 0.767 -7.522 2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.092 -6.222 0.909 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.331 -5.504 2.315 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.132 -8.249 4.174 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.338 -8.381 3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.390 -9.229 5.036 1.00 0.00 H new ATOM 475 N SER A 35 -0.904 -5.989 1.405 1.00 0.00 N ATOM 476 CA SER A 35 -1.905 -5.063 0.888 1.00 0.00 C ATOM 477 C SER A 35 -2.010 -3.826 1.774 1.00 0.00 C ATOM 478 O SER A 35 -1.654 -3.860 2.952 1.00 0.00 O ATOM 479 CB SER A 35 -3.268 -5.753 0.793 1.00 0.00 C ATOM 480 OG SER A 35 -3.121 -7.135 0.517 1.00 0.00 O ATOM 0 H SER A 35 -1.194 -6.502 2.238 1.00 0.00 H new ATOM 0 HA SER A 35 -1.594 -4.750 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.812 -5.621 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.863 -5.284 0.010 1.00 0.00 H new ATOM 0 HG SER A 35 -4.005 -7.554 0.463 1.00 0.00 H new ATOM 486 N PHE A 36 -2.501 -2.733 1.198 1.00 0.00 N ATOM 487 CA PHE A 36 -2.652 -1.483 1.934 1.00 0.00 C ATOM 488 C PHE A 36 -3.948 -0.778 1.547 1.00 0.00 C ATOM 489 O PHE A 36 -4.217 -0.550 0.367 1.00 0.00 O ATOM 490 CB PHE A 36 -1.459 -0.563 1.669 1.00 0.00 C ATOM 491 CG PHE A 36 -0.130 -1.213 1.931 1.00 0.00 C ATOM 492 CD1 PHE A 36 0.352 -2.200 1.086 1.00 0.00 C ATOM 493 CD2 PHE A 36 0.636 -0.838 3.022 1.00 0.00 C ATOM 494 CE1 PHE A 36 1.574 -2.801 1.325 1.00 0.00 C ATOM 495 CE2 PHE A 36 1.859 -1.434 3.265 1.00 0.00 C ATOM 496 CZ PHE A 36 2.328 -2.417 2.416 1.00 0.00 C ATOM 0 H PHE A 36 -2.801 -2.688 0.224 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.691 -1.719 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.492 -0.228 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.550 0.325 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.234 -2.503 0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.274 -0.071 3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.938 -3.570 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.448 -1.131 4.118 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.283 -2.885 2.605 1.00 0.00 H new ATOM 506 N CYS A 37 -4.750 -0.435 2.549 1.00 0.00 N ATOM 507 CA CYS A 37 -6.019 0.244 2.316 1.00 0.00 C ATOM 508 C CYS A 37 -5.798 1.723 2.013 1.00 0.00 C ATOM 509 O CYS A 37 -4.807 2.312 2.443 1.00 0.00 O ATOM 510 CB CYS A 37 -6.933 0.093 3.534 1.00 0.00 C ATOM 511 SG CYS A 37 -6.372 1.011 5.004 1.00 0.00 S ATOM 0 H CYS A 37 -4.543 -0.616 3.531 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.496 -0.218 1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.934 0.432 3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.011 -0.964 3.787 1.00 0.00 H new ATOM 516 N GLN A 38 -6.728 2.315 1.272 1.00 0.00 N ATOM 517 CA GLN A 38 -6.634 3.725 0.911 1.00 0.00 C ATOM 518 C GLN A 38 -6.219 4.567 2.113 1.00 0.00 C ATOM 519 O GLN A 38 -5.222 5.288 2.064 1.00 0.00 O ATOM 520 CB GLN A 38 -7.972 4.223 0.362 1.00 0.00 C ATOM 521 CG GLN A 38 -8.009 5.723 0.118 1.00 0.00 C ATOM 522 CD GLN A 38 -7.307 6.123 -1.165 1.00 0.00 C ATOM 523 OE1 GLN A 38 -7.811 5.883 -2.263 1.00 0.00 O ATOM 524 NE2 GLN A 38 -6.137 6.737 -1.033 1.00 0.00 N ATOM 0 H GLN A 38 -7.555 1.841 0.910 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.872 3.827 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.187 3.706 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.764 3.958 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.046 6.055 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.541 6.236 0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.757 6.916 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.619 7.030 -1.861 1.00 0.00 H new ATOM 533 N LYS A 39 -6.991 4.473 3.190 1.00 0.00 N ATOM 534 CA LYS A 39 -6.704 5.225 4.406 1.00 0.00 C ATOM 535 C LYS A 39 -5.202 5.290 4.664 1.00 0.00 C ATOM 536 O LYS A 39 -4.601 6.364 4.629 1.00 0.00 O ATOM 537 CB LYS A 39 -7.411 4.588 5.604 1.00 0.00 C ATOM 538 CG LYS A 39 -8.822 5.104 5.822 1.00 0.00 C ATOM 539 CD LYS A 39 -9.646 4.139 6.658 1.00 0.00 C ATOM 540 CE LYS A 39 -11.137 4.325 6.417 1.00 0.00 C ATOM 541 NZ LYS A 39 -11.956 3.494 7.341 1.00 0.00 N ATOM 0 H LYS A 39 -7.821 3.883 3.246 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.076 6.241 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.446 3.508 5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.823 4.773 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.783 6.074 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.307 5.258 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.363 3.114 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.425 4.291 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.397 5.376 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.374 4.062 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.965 3.649 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.726 2.489 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.749 3.762 8.324 1.00 0.00 H new ATOM 555 N CYS A 40 -4.600 4.133 4.921 1.00 0.00 N ATOM 556 CA CYS A 40 -3.168 4.057 5.184 1.00 0.00 C ATOM 557 C CYS A 40 -2.371 4.671 4.036 1.00 0.00 C ATOM 558 O CYS A 40 -1.600 5.611 4.236 1.00 0.00 O ATOM 559 CB CYS A 40 -2.743 2.602 5.393 1.00 0.00 C ATOM 560 SG CYS A 40 -3.433 1.835 6.894 1.00 0.00 S ATOM 0 H CYS A 40 -5.082 3.235 4.953 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.960 4.623 6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.049 2.017 4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.655 2.556 5.441 1.00 0.00 H new ATOM 565 N ILE A 41 -2.563 4.134 2.836 1.00 0.00 N ATOM 566 CA ILE A 41 -1.864 4.630 1.657 1.00 0.00 C ATOM 567 C ILE A 41 -1.818 6.155 1.646 1.00 0.00 C ATOM 568 O ILE A 41 -0.818 6.753 1.249 1.00 0.00 O ATOM 569 CB ILE A 41 -2.530 4.138 0.359 1.00 0.00 C ATOM 570 CG1 ILE A 41 -2.529 2.609 0.308 1.00 0.00 C ATOM 571 CG2 ILE A 41 -1.815 4.714 -0.854 1.00 0.00 C ATOM 572 CD1 ILE A 41 -3.518 2.037 -0.683 1.00 0.00 C ATOM 0 H ILE A 41 -3.197 3.356 2.655 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.848 4.239 1.705 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.564 4.483 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.528 2.263 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.756 2.220 1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.297 4.357 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.862 5.802 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.773 4.396 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.462 0.949 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.526 2.353 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.279 2.396 -1.684 1.00 0.00 H new ATOM 584 N ASP A 42 -2.906 6.777 2.086 1.00 0.00 N ATOM 585 CA ASP A 42 -2.990 8.232 2.129 1.00 0.00 C ATOM 586 C ASP A 42 -2.078 8.797 3.213 1.00 0.00 C ATOM 587 O ASP A 42 -1.228 9.646 2.945 1.00 0.00 O ATOM 588 CB ASP A 42 -4.433 8.674 2.378 1.00 0.00 C ATOM 589 CG ASP A 42 -4.600 10.178 2.301 1.00 0.00 C ATOM 590 OD1 ASP A 42 -4.396 10.742 1.205 1.00 0.00 O ATOM 591 OD2 ASP A 42 -4.932 10.793 3.336 1.00 0.00 O ATOM 0 H ASP A 42 -3.742 6.296 2.418 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.661 8.619 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.086 8.201 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.752 8.326 3.360 1.00 0.00 H new ATOM 596 N LYS A 43 -2.261 8.321 4.440 1.00 0.00 N ATOM 597 CA LYS A 43 -1.455 8.777 5.567 1.00 0.00 C ATOM 598 C LYS A 43 0.026 8.795 5.204 1.00 0.00 C ATOM 599 O LYS A 43 0.701 9.813 5.361 1.00 0.00 O ATOM 600 CB LYS A 43 -1.682 7.875 6.782 1.00 0.00 C ATOM 601 CG LYS A 43 -3.095 7.945 7.336 1.00 0.00 C ATOM 602 CD LYS A 43 -3.341 9.251 8.071 1.00 0.00 C ATOM 603 CE LYS A 43 -2.810 9.198 9.495 1.00 0.00 C ATOM 604 NZ LYS A 43 -3.486 8.144 10.300 1.00 0.00 N ATOM 0 H LYS A 43 -2.961 7.619 4.680 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.763 9.793 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.460 6.844 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.979 8.153 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.812 7.844 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.263 7.108 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.861 10.068 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.410 9.464 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.737 9.008 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.953 10.167 9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.450 8.400 11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.478 8.060 9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.003 7.234 10.156 1.00 0.00 H new ATOM 618 N TRP A 44 0.525 7.665 4.717 1.00 0.00 N ATOM 619 CA TRP A 44 1.927 7.553 4.330 1.00 0.00 C ATOM 620 C TRP A 44 2.090 7.706 2.822 1.00 0.00 C ATOM 621 O TRP A 44 1.492 6.961 2.045 1.00 0.00 O ATOM 622 CB TRP A 44 2.496 6.207 4.783 1.00 0.00 C ATOM 623 CG TRP A 44 2.288 5.108 3.785 1.00 0.00 C ATOM 624 CD1 TRP A 44 1.218 4.264 3.707 1.00 0.00 C ATOM 625 CD2 TRP A 44 3.175 4.734 2.726 1.00 0.00 C ATOM 626 NE1 TRP A 44 1.386 3.388 2.662 1.00 0.00 N ATOM 627 CE2 TRP A 44 2.578 3.655 2.044 1.00 0.00 C ATOM 628 CE3 TRP A 44 4.415 5.205 2.285 1.00 0.00 C ATOM 629 CZ2 TRP A 44 3.180 3.043 0.948 1.00 0.00 C ATOM 630 CZ3 TRP A 44 5.011 4.596 1.198 1.00 0.00 C ATOM 631 CH2 TRP A 44 4.394 3.525 0.539 1.00 0.00 C ATOM 0 H TRP A 44 -0.020 6.813 4.581 1.00 0.00 H new ATOM 0 HA TRP A 44 2.478 8.356 4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.563 6.318 4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.031 5.923 5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.365 4.282 4.369 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.729 2.657 2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.899 6.031 2.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.706 2.217 0.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.970 4.952 0.850 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.886 3.071 -0.308 1.00 0.00 H new ATOM 642 N SER A 45 2.902 8.675 2.413 1.00 0.00 N ATOM 643 CA SER A 45 3.140 8.927 0.997 1.00 0.00 C ATOM 644 C SER A 45 4.583 9.362 0.758 1.00 0.00 C ATOM 645 O SER A 45 5.090 10.264 1.425 1.00 0.00 O ATOM 646 CB SER A 45 2.179 9.999 0.480 1.00 0.00 C ATOM 647 OG SER A 45 2.409 11.242 1.122 1.00 0.00 O ATOM 0 H SER A 45 3.407 9.299 3.043 1.00 0.00 H new ATOM 0 HA SER A 45 2.964 7.999 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.302 10.114 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.150 9.683 0.651 1.00 0.00 H new ATOM 0 HG SER A 45 3.348 11.299 1.397 1.00 0.00 H new ATOM 653 N ASP A 46 5.238 8.715 -0.199 1.00 0.00 N ATOM 654 CA ASP A 46 6.622 9.035 -0.529 1.00 0.00 C ATOM 655 C ASP A 46 6.907 8.761 -2.002 1.00 0.00 C ATOM 656 O ASP A 46 6.066 8.215 -2.716 1.00 0.00 O ATOM 657 CB ASP A 46 7.578 8.224 0.347 1.00 0.00 C ATOM 658 CG ASP A 46 7.732 8.814 1.736 1.00 0.00 C ATOM 659 OD1 ASP A 46 7.887 10.048 1.842 1.00 0.00 O ATOM 660 OD2 ASP A 46 7.697 8.040 2.715 1.00 0.00 O ATOM 0 H ASP A 46 4.833 7.966 -0.760 1.00 0.00 H new ATOM 0 HA ASP A 46 6.779 10.097 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.212 7.201 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.555 8.176 -0.134 1.00 0.00 H new ATOM 665 N ARG A 47 8.098 9.144 -2.451 1.00 0.00 N ATOM 666 CA ARG A 47 8.493 8.942 -3.840 1.00 0.00 C ATOM 667 C ARG A 47 9.268 7.637 -4.000 1.00 0.00 C ATOM 668 O ARG A 47 10.065 7.486 -4.926 1.00 0.00 O ATOM 669 CB ARG A 47 9.344 10.116 -4.326 1.00 0.00 C ATOM 670 CG ARG A 47 8.526 11.305 -4.803 1.00 0.00 C ATOM 671 CD ARG A 47 8.028 11.104 -6.226 1.00 0.00 C ATOM 672 NE ARG A 47 7.414 12.314 -6.767 1.00 0.00 N ATOM 673 CZ ARG A 47 7.071 12.456 -8.042 1.00 0.00 C ATOM 674 NH1 ARG A 47 7.281 11.470 -8.903 1.00 0.00 N ATOM 675 NH2 ARG A 47 6.517 13.588 -8.459 1.00 0.00 N ATOM 0 H ARG A 47 8.806 9.596 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 47 7.588 8.884 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.000 10.438 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.985 9.777 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.676 11.454 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.133 12.209 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.861 10.804 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.303 10.290 -6.245 1.00 0.00 H new ATOM 0 HE ARG A 47 7.239 13.092 -6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.707 10.599 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.016 11.582 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.355 14.349 -7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.254 13.696 -9.438 1.00 0.00 H new ATOM 689 N HIS A 48 9.028 6.697 -3.092 1.00 0.00 N ATOM 690 CA HIS A 48 9.703 5.405 -3.132 1.00 0.00 C ATOM 691 C HIS A 48 8.768 4.319 -3.657 1.00 0.00 C ATOM 692 O HIS A 48 7.574 4.316 -3.356 1.00 0.00 O ATOM 693 CB HIS A 48 10.211 5.027 -1.741 1.00 0.00 C ATOM 694 CG HIS A 48 11.432 5.786 -1.323 1.00 0.00 C ATOM 695 ND1 HIS A 48 12.575 5.174 -0.852 1.00 0.00 N ATOM 696 CD2 HIS A 48 11.687 7.115 -1.308 1.00 0.00 C ATOM 697 CE1 HIS A 48 13.478 6.094 -0.564 1.00 0.00 C ATOM 698 NE2 HIS A 48 12.964 7.281 -0.833 1.00 0.00 N ATOM 0 H HIS A 48 8.371 6.806 -2.319 1.00 0.00 H new ATOM 0 HA HIS A 48 10.552 5.488 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.418 5.202 -1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.432 3.960 -1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.011 7.900 -1.613 1.00 0.00 H new ATOM 0 HE1 HIS A 48 14.468 5.908 -0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.439 8.175 -0.708 1.00 0.00 H new ATOM 706 N ARG A 49 9.318 3.401 -4.445 1.00 0.00 N ATOM 707 CA ARG A 49 8.532 2.312 -5.013 1.00 0.00 C ATOM 708 C ARG A 49 8.849 0.992 -4.316 1.00 0.00 C ATOM 709 O ARG A 49 8.803 -0.073 -4.931 1.00 0.00 O ATOM 710 CB ARG A 49 8.805 2.187 -6.513 1.00 0.00 C ATOM 711 CG ARG A 49 10.264 1.922 -6.847 1.00 0.00 C ATOM 712 CD ARG A 49 10.562 0.431 -6.895 1.00 0.00 C ATOM 713 NE ARG A 49 11.663 0.122 -7.803 1.00 0.00 N ATOM 714 CZ ARG A 49 11.861 -1.078 -8.336 1.00 0.00 C ATOM 715 NH1 ARG A 49 11.036 -2.077 -8.054 1.00 0.00 N ATOM 716 NH2 ARG A 49 12.886 -1.281 -9.154 1.00 0.00 N ATOM 0 H ARG A 49 10.304 3.390 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 49 7.477 2.540 -4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.196 1.379 -6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.488 3.105 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.506 2.374 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.901 2.398 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.808 0.078 -5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.669 -0.107 -7.212 1.00 0.00 H new ATOM 0 HE ARG A 49 12.316 0.869 -8.041 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.247 -1.925 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.191 -2.998 -8.465 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.523 -0.515 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.037 -2.203 -9.563 1.00 0.00 H new ATOM 730 N ASN A 50 9.171 1.070 -3.029 1.00 0.00 N ATOM 731 CA ASN A 50 9.497 -0.118 -2.249 1.00 0.00 C ATOM 732 C ASN A 50 8.463 -0.348 -1.150 1.00 0.00 C ATOM 733 O ASN A 50 7.970 0.601 -0.538 1.00 0.00 O ATOM 734 CB ASN A 50 10.891 0.017 -1.633 1.00 0.00 C ATOM 735 CG ASN A 50 11.967 0.231 -2.679 1.00 0.00 C ATOM 736 OD1 ASN A 50 12.245 -0.653 -3.490 1.00 0.00 O ATOM 737 ND2 ASN A 50 12.579 1.410 -2.666 1.00 0.00 N ATOM 0 H ASN A 50 9.213 1.944 -2.504 1.00 0.00 H new ATOM 0 HA ASN A 50 9.485 -0.977 -2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.897 0.853 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.120 -0.881 -1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.312 1.612 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.316 2.113 -1.976 1.00 0.00 H new ATOM 744 N CYS A 51 8.139 -1.613 -0.905 1.00 0.00 N ATOM 745 CA CYS A 51 7.165 -1.969 0.120 1.00 0.00 C ATOM 746 C CYS A 51 7.569 -1.399 1.476 1.00 0.00 C ATOM 747 O CYS A 51 8.666 -1.646 1.980 1.00 0.00 O ATOM 748 CB CYS A 51 7.025 -3.489 0.214 1.00 0.00 C ATOM 749 SG CYS A 51 5.576 -4.045 1.167 1.00 0.00 S ATOM 0 H CYS A 51 8.537 -2.409 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 51 6.204 -1.539 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.963 -3.900 -0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.926 -3.898 0.671 1.00 0.00 H new ATOM 754 N PRO A 52 6.664 -0.617 2.083 1.00 0.00 N ATOM 755 CA PRO A 52 6.903 0.003 3.390 1.00 0.00 C ATOM 756 C PRO A 52 6.925 -1.019 4.522 1.00 0.00 C ATOM 757 O PRO A 52 7.304 -0.701 5.649 1.00 0.00 O ATOM 758 CB PRO A 52 5.716 0.956 3.552 1.00 0.00 C ATOM 759 CG PRO A 52 4.640 0.368 2.705 1.00 0.00 C ATOM 760 CD PRO A 52 5.337 -0.280 1.541 1.00 0.00 C ATOM 0 HA PRO A 52 7.874 0.497 3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.405 1.027 4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.970 1.964 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.057 -0.362 3.266 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.946 1.137 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.806 -1.168 1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.411 0.396 0.689 1.00 0.00 H new ATOM 768 N ILE A 53 6.516 -2.245 4.213 1.00 0.00 N ATOM 769 CA ILE A 53 6.491 -3.313 5.205 1.00 0.00 C ATOM 770 C ILE A 53 7.761 -4.154 5.140 1.00 0.00 C ATOM 771 O ILE A 53 8.538 -4.200 6.094 1.00 0.00 O ATOM 772 CB ILE A 53 5.270 -4.231 5.012 1.00 0.00 C ATOM 773 CG1 ILE A 53 3.982 -3.405 4.981 1.00 0.00 C ATOM 774 CG2 ILE A 53 5.210 -5.272 6.120 1.00 0.00 C ATOM 775 CD1 ILE A 53 3.515 -2.962 6.350 1.00 0.00 C ATOM 0 H ILE A 53 6.198 -2.523 3.285 1.00 0.00 H new ATOM 0 HA ILE A 53 6.425 -2.835 6.182 1.00 0.00 H new ATOM 0 HB ILE A 53 5.371 -4.748 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.139 -2.525 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.194 -3.993 4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.342 -5.913 5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.116 -5.877 6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.129 -4.772 7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.598 -2.382 6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.325 -3.838 6.971 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.285 -2.347 6.816 1.00 0.00 H new ATOM 787 N CYS A 54 7.967 -4.817 4.007 1.00 0.00 N ATOM 788 CA CYS A 54 9.143 -5.656 3.814 1.00 0.00 C ATOM 789 C CYS A 54 10.390 -4.983 4.382 1.00 0.00 C ATOM 790 O CYS A 54 11.321 -5.654 4.827 1.00 0.00 O ATOM 791 CB CYS A 54 9.344 -5.956 2.327 1.00 0.00 C ATOM 792 SG CYS A 54 8.091 -7.071 1.618 1.00 0.00 S ATOM 0 H CYS A 54 7.334 -4.789 3.208 1.00 0.00 H new ATOM 0 HA CYS A 54 8.982 -6.593 4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.334 -5.017 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.330 -6.399 2.187 1.00 0.00 H new ATOM 797 N ARG A 55 10.399 -3.655 4.362 1.00 0.00 N ATOM 798 CA ARG A 55 11.531 -2.891 4.874 1.00 0.00 C ATOM 799 C ARG A 55 12.005 -3.452 6.211 1.00 0.00 C ATOM 800 O ARG A 55 13.189 -3.740 6.391 1.00 0.00 O ATOM 801 CB ARG A 55 11.150 -1.418 5.032 1.00 0.00 C ATOM 802 CG ARG A 55 11.193 -0.634 3.731 1.00 0.00 C ATOM 803 CD ARG A 55 10.755 0.808 3.934 1.00 0.00 C ATOM 804 NE ARG A 55 11.867 1.665 4.337 1.00 0.00 N ATOM 805 CZ ARG A 55 11.755 2.976 4.519 1.00 0.00 C ATOM 806 NH1 ARG A 55 10.588 3.577 4.335 1.00 0.00 N ATOM 807 NH2 ARG A 55 12.813 3.689 4.886 1.00 0.00 N ATOM 0 H ARG A 55 9.636 -3.085 3.997 1.00 0.00 H new ATOM 0 HA ARG A 55 12.347 -2.973 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.146 -1.354 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.825 -0.952 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.205 -0.654 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.546 -1.112 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.320 1.189 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.974 0.846 4.693 1.00 0.00 H new ATOM 0 HE ARG A 55 12.779 1.233 4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.773 3.033 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.505 4.584 4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.713 3.230 5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.726 4.696 5.026 1.00 0.00 H new ATOM 821 N LEU A 56 11.074 -3.603 7.147 1.00 0.00 N ATOM 822 CA LEU A 56 11.396 -4.129 8.469 1.00 0.00 C ATOM 823 C LEU A 56 10.938 -5.578 8.605 1.00 0.00 C ATOM 824 O LEU A 56 11.569 -6.374 9.300 1.00 0.00 O ATOM 825 CB LEU A 56 10.742 -3.271 9.554 1.00 0.00 C ATOM 826 CG LEU A 56 9.256 -2.965 9.362 1.00 0.00 C ATOM 827 CD1 LEU A 56 8.582 -2.734 10.706 1.00 0.00 C ATOM 828 CD2 LEU A 56 9.073 -1.757 8.456 1.00 0.00 C ATOM 0 H LEU A 56 10.090 -3.369 7.015 1.00 0.00 H new ATOM 0 HA LEU A 56 12.479 -4.097 8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.868 -3.774 10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.282 -2.326 9.617 1.00 0.00 H new ATOM 0 HG LEU A 56 8.785 -3.825 8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.525 -2.518 10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.683 -3.628 11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.055 -1.891 11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.009 -1.554 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.558 -0.889 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.521 -1.961 7.483 1.00 0.00 H new ATOM 840 N GLN A 57 9.839 -5.911 7.936 1.00 0.00 N ATOM 841 CA GLN A 57 9.299 -7.264 7.982 1.00 0.00 C ATOM 842 C GLN A 57 9.711 -8.057 6.746 1.00 0.00 C ATOM 843 O GLN A 57 8.869 -8.452 5.941 1.00 0.00 O ATOM 844 CB GLN A 57 7.774 -7.224 8.090 1.00 0.00 C ATOM 845 CG GLN A 57 7.272 -6.641 9.402 1.00 0.00 C ATOM 846 CD GLN A 57 5.810 -6.246 9.344 1.00 0.00 C ATOM 847 OE1 GLN A 57 5.460 -5.083 9.547 1.00 0.00 O ATOM 848 NE2 GLN A 57 4.946 -7.216 9.066 1.00 0.00 N ATOM 0 H GLN A 57 9.306 -5.263 7.356 1.00 0.00 H new ATOM 0 HA GLN A 57 9.706 -7.760 8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.375 -6.635 7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.383 -8.235 7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.416 -7.371 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.870 -5.767 9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.280 -8.166 8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.948 -7.011 9.014 1.00 0.00 H new ATOM 857 N MET A 58 11.013 -8.286 6.603 1.00 0.00 N ATOM 858 CA MET A 58 11.536 -9.033 5.466 1.00 0.00 C ATOM 859 C MET A 58 10.784 -10.348 5.285 1.00 0.00 C ATOM 860 O MET A 58 10.155 -10.849 6.218 1.00 0.00 O ATOM 861 CB MET A 58 13.030 -9.309 5.653 1.00 0.00 C ATOM 862 CG MET A 58 13.923 -8.190 5.140 1.00 0.00 C ATOM 863 SD MET A 58 15.588 -8.758 4.745 1.00 0.00 S ATOM 864 CE MET A 58 15.669 -8.376 2.997 1.00 0.00 C ATOM 0 H MET A 58 11.724 -7.965 7.260 1.00 0.00 H new ATOM 0 HA MET A 58 11.394 -8.428 4.571 1.00 0.00 H new ATOM 0 HB2 MET A 58 13.232 -9.468 6.712 1.00 0.00 H new ATOM 0 HB3 MET A 58 13.288 -10.234 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 58 13.473 -7.750 4.250 1.00 0.00 H new ATOM 0 HG3 MET A 58 13.980 -7.402 5.891 1.00 0.00 H new ATOM 0 HE1 MET A 58 16.643 -8.670 2.605 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.886 -8.920 2.469 1.00 0.00 H new ATOM 0 HE3 MET A 58 15.528 -7.305 2.852 1.00 0.00 H new ATOM 874 N THR A 59 10.851 -10.903 4.079 1.00 0.00 N ATOM 875 CA THR A 59 10.175 -12.158 3.776 1.00 0.00 C ATOM 876 C THR A 59 11.171 -13.230 3.349 1.00 0.00 C ATOM 877 O THR A 59 11.907 -13.056 2.379 1.00 0.00 O ATOM 878 CB THR A 59 9.125 -11.976 2.664 1.00 0.00 C ATOM 879 OG1 THR A 59 8.261 -10.879 2.980 1.00 0.00 O ATOM 880 CG2 THR A 59 8.301 -13.242 2.486 1.00 0.00 C ATOM 0 H THR A 59 11.367 -10.503 3.296 1.00 0.00 H new ATOM 0 HA THR A 59 9.674 -12.476 4.690 1.00 0.00 H new ATOM 0 HB THR A 59 9.649 -11.768 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.598 -10.769 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.566 -13.090 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.958 -14.069 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.787 -13.476 3.419 1.00 0.00 H new ATOM 888 N GLY A 60 11.189 -14.340 4.081 1.00 0.00 N ATOM 889 CA GLY A 60 12.099 -15.424 3.762 1.00 0.00 C ATOM 890 C GLY A 60 11.520 -16.386 2.743 1.00 0.00 C ATOM 891 O GLY A 60 11.569 -17.601 2.930 1.00 0.00 O ATOM 0 H GLY A 60 10.590 -14.507 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.031 -15.010 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.344 -15.969 4.674 1.00 0.00 H new ATOM 895 N ALA A 61 10.969 -15.841 1.664 1.00 0.00 N ATOM 896 CA ALA A 61 10.378 -16.659 0.612 1.00 0.00 C ATOM 897 C ALA A 61 9.311 -17.591 1.176 1.00 0.00 C ATOM 898 O ALA A 61 9.191 -18.740 0.753 1.00 0.00 O ATOM 899 CB ALA A 61 11.457 -17.459 -0.102 1.00 0.00 C ATOM 0 H ALA A 61 10.919 -14.836 1.495 1.00 0.00 H new ATOM 0 HA ALA A 61 9.899 -15.994 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.002 -18.065 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.182 -16.777 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.961 -18.109 0.613 1.00 0.00 H new ATOM 905 N ASN A 62 8.538 -17.088 2.133 1.00 0.00 N ATOM 906 CA ASN A 62 7.481 -17.877 2.755 1.00 0.00 C ATOM 907 C ASN A 62 6.131 -17.584 2.108 1.00 0.00 C ATOM 908 O ASN A 62 5.428 -18.497 1.676 1.00 0.00 O ATOM 909 CB ASN A 62 7.414 -17.584 4.256 1.00 0.00 C ATOM 910 CG ASN A 62 8.454 -18.357 5.043 1.00 0.00 C ATOM 911 OD1 ASN A 62 8.231 -19.505 5.428 1.00 0.00 O ATOM 912 ND2 ASN A 62 9.599 -17.729 5.286 1.00 0.00 N ATOM 0 H ASN A 62 8.624 -16.138 2.494 1.00 0.00 H new ATOM 0 HA ASN A 62 7.714 -18.932 2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.557 -16.516 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.421 -17.834 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.337 -18.199 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.740 -16.777 4.948 1.00 0.00 H new ATOM 919 N GLU A 63 5.776 -16.305 2.044 1.00 0.00 N ATOM 920 CA GLU A 63 4.510 -15.892 1.449 1.00 0.00 C ATOM 921 C GLU A 63 4.569 -15.981 -0.073 1.00 0.00 C ATOM 922 O GLU A 63 3.811 -16.727 -0.692 1.00 0.00 O ATOM 923 CB GLU A 63 4.162 -14.464 1.874 1.00 0.00 C ATOM 924 CG GLU A 63 3.401 -14.388 3.187 1.00 0.00 C ATOM 925 CD GLU A 63 4.310 -14.497 4.396 1.00 0.00 C ATOM 926 OE1 GLU A 63 5.131 -15.436 4.439 1.00 0.00 O ATOM 927 OE2 GLU A 63 4.201 -13.640 5.299 1.00 0.00 O ATOM 0 H GLU A 63 6.347 -15.537 2.397 1.00 0.00 H new ATOM 0 HA GLU A 63 3.733 -16.569 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.082 -13.886 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.566 -13.996 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.855 -13.446 3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.661 -15.188 3.220 1.00 0.00 H new ATOM 934 N SER A 64 5.476 -15.214 -0.670 1.00 0.00 N ATOM 935 CA SER A 64 5.633 -15.202 -2.119 1.00 0.00 C ATOM 936 C SER A 64 7.030 -15.665 -2.519 1.00 0.00 C ATOM 937 O SER A 64 8.007 -15.407 -1.814 1.00 0.00 O ATOM 938 CB SER A 64 5.370 -13.799 -2.670 1.00 0.00 C ATOM 939 OG SER A 64 5.596 -13.750 -4.068 1.00 0.00 O ATOM 0 H SER A 64 6.113 -14.593 -0.172 1.00 0.00 H new ATOM 0 HA SER A 64 4.906 -15.894 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.342 -13.507 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.018 -13.080 -2.168 1.00 0.00 H new ATOM 0 HG SER A 64 6.055 -12.915 -4.296 1.00 0.00 H new ATOM 945 N SER A 65 7.118 -16.350 -3.654 1.00 0.00 N ATOM 946 CA SER A 65 8.396 -16.853 -4.147 1.00 0.00 C ATOM 947 C SER A 65 8.381 -16.974 -5.668 1.00 0.00 C ATOM 948 O SER A 65 7.322 -17.089 -6.283 1.00 0.00 O ATOM 949 CB SER A 65 8.710 -18.211 -3.518 1.00 0.00 C ATOM 950 OG SER A 65 9.024 -18.076 -2.143 1.00 0.00 O ATOM 0 H SER A 65 6.320 -16.570 -4.250 1.00 0.00 H new ATOM 0 HA SER A 65 9.173 -16.142 -3.864 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.854 -18.876 -3.635 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.547 -18.673 -4.042 1.00 0.00 H new ATOM 0 HG SER A 65 8.878 -17.148 -1.864 1.00 0.00 H new ATOM 956 N GLY A 66 9.567 -16.948 -6.269 1.00 0.00 N ATOM 957 CA GLY A 66 9.670 -17.057 -7.712 1.00 0.00 C ATOM 958 C GLY A 66 10.132 -15.766 -8.359 1.00 0.00 C ATOM 959 O GLY A 66 10.110 -14.698 -7.747 1.00 0.00 O ATOM 0 H GLY A 66 10.458 -16.853 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.367 -17.856 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.700 -17.339 -8.122 1.00 0.00 H new ATOM 963 N PRO A 67 10.564 -15.856 -9.626 1.00 0.00 N ATOM 964 CA PRO A 67 11.043 -14.696 -10.383 1.00 0.00 C ATOM 965 C PRO A 67 9.918 -13.727 -10.732 1.00 0.00 C ATOM 966 O PRO A 67 9.141 -13.969 -11.655 1.00 0.00 O ATOM 967 CB PRO A 67 11.626 -15.318 -11.654 1.00 0.00 C ATOM 968 CG PRO A 67 10.901 -16.610 -11.810 1.00 0.00 C ATOM 969 CD PRO A 67 10.618 -17.097 -10.416 1.00 0.00 C ATOM 0 HA PRO A 67 11.760 -14.105 -9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.473 -14.671 -12.518 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.700 -15.476 -11.561 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.976 -16.473 -12.371 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.504 -17.332 -12.361 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.678 -17.647 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.399 -17.768 -10.058 1.00 0.00 H new ATOM 977 N SER A 68 9.838 -12.628 -9.987 1.00 0.00 N ATOM 978 CA SER A 68 8.805 -11.624 -10.216 1.00 0.00 C ATOM 979 C SER A 68 8.762 -11.214 -11.685 1.00 0.00 C ATOM 980 O SER A 68 9.735 -10.685 -12.222 1.00 0.00 O ATOM 981 CB SER A 68 9.056 -10.395 -9.340 1.00 0.00 C ATOM 982 OG SER A 68 10.361 -9.882 -9.543 1.00 0.00 O ATOM 0 H SER A 68 10.475 -12.411 -9.221 1.00 0.00 H new ATOM 0 HA SER A 68 7.843 -12.061 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.319 -9.625 -9.569 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.925 -10.660 -8.291 1.00 0.00 H new ATOM 0 HG SER A 68 10.567 -9.882 -10.501 1.00 0.00 H new ATOM 988 N SER A 69 7.627 -11.463 -12.330 1.00 0.00 N ATOM 989 CA SER A 69 7.457 -11.124 -13.738 1.00 0.00 C ATOM 990 C SER A 69 7.172 -9.635 -13.908 1.00 0.00 C ATOM 991 O SER A 69 7.880 -8.935 -14.630 1.00 0.00 O ATOM 992 CB SER A 69 6.319 -11.946 -14.348 1.00 0.00 C ATOM 993 OG SER A 69 6.559 -13.335 -14.204 1.00 0.00 O ATOM 0 H SER A 69 6.811 -11.898 -11.900 1.00 0.00 H new ATOM 0 HA SER A 69 8.386 -11.360 -14.258 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.378 -11.684 -13.865 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.214 -11.700 -15.405 1.00 0.00 H new ATOM 0 HG SER A 69 5.817 -13.838 -14.600 1.00 0.00 H new ATOM 999 N GLY A 70 6.128 -9.158 -13.236 1.00 0.00 N ATOM 1000 CA GLY A 70 5.767 -7.756 -13.325 1.00 0.00 C ATOM 1001 C GLY A 70 6.953 -6.837 -13.112 1.00 0.00 C ATOM 1002 O GLY A 70 7.806 -7.142 -12.281 1.00 0.00 O ATOM 0 H GLY A 70 5.526 -9.718 -12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.329 -7.558 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.001 -7.533 -12.582 1.00 0.00 H new TER 1006 GLY A 70 HETATM 1007 ZN ZN A 201 -4.755 0.183 6.280 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 5.994 -6.383 1.381 1.00 0.00 ZN