USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 Single : A 1 SER N :NH3+ 152:sc=-0.00113 (180deg=-0.337) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0721 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0964 X(o=-0.096,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 63:sc= 1.03 USER MOD Single : A 20 ASN : amide:sc= -2.68! X(o=-2.7!,f=-2.4) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.615 F(o=-1.5,f=-0.62) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.746 F(o=-1.5,f=-0.75) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0988 X(o=-0.099,f=-0.026) USER MOD Single : A 41 THR OG1 : rot 110:sc= 0.443 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= -0.072 (180deg=-0.112) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.308 9.862 10.885 1.00 0.00 N ATOM 2 CA SER A 1 7.937 11.089 10.412 1.00 0.00 C ATOM 3 C SER A 1 9.388 10.836 10.017 1.00 0.00 C ATOM 4 O SER A 1 10.213 11.751 10.023 1.00 0.00 O ATOM 5 CB SER A 1 7.871 12.171 11.491 1.00 0.00 C ATOM 6 OG SER A 1 7.408 11.638 12.719 1.00 0.00 O ATOM 0 H1 SER A 1 6.553 10.097 11.560 1.00 0.00 H new ATOM 0 H2 SER A 1 6.903 9.346 10.078 1.00 0.00 H new ATOM 0 H3 SER A 1 8.019 9.266 11.355 1.00 0.00 H new ATOM 0 HA SER A 1 7.393 11.432 9.532 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.859 12.610 11.631 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.208 12.973 11.166 1.00 0.00 H new ATOM 0 HG SER A 1 7.376 12.349 13.393 1.00 0.00 H new ATOM 12 N ASP A 2 9.694 9.590 9.673 1.00 0.00 N ATOM 13 CA ASP A 2 11.046 9.216 9.274 1.00 0.00 C ATOM 14 C ASP A 2 11.036 8.493 7.930 1.00 0.00 C ATOM 15 O ASP A 2 12.087 8.228 7.348 1.00 0.00 O ATOM 16 CB ASP A 2 11.688 8.326 10.340 1.00 0.00 C ATOM 17 CG ASP A 2 11.999 9.084 11.616 1.00 0.00 C ATOM 18 OD1 ASP A 2 13.186 9.392 11.850 1.00 0.00 O ATOM 19 OD2 ASP A 2 11.054 9.371 12.380 1.00 0.00 O ATOM 0 H ASP A 2 9.024 8.821 9.662 1.00 0.00 H new ATOM 0 HA ASP A 2 11.633 10.129 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.019 7.496 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.607 7.895 9.944 1.00 0.00 H new ATOM 24 N ARG A 3 9.840 8.177 7.444 1.00 0.00 N ATOM 25 CA ARG A 3 9.693 7.484 6.170 1.00 0.00 C ATOM 26 C ARG A 3 9.872 5.979 6.347 1.00 0.00 C ATOM 27 O ARG A 3 10.798 5.384 5.794 1.00 0.00 O ATOM 28 CB ARG A 3 10.708 8.014 5.156 1.00 0.00 C ATOM 29 CG ARG A 3 10.945 9.511 5.258 1.00 0.00 C ATOM 30 CD ARG A 3 10.569 10.225 3.969 1.00 0.00 C ATOM 31 NE ARG A 3 10.241 11.630 4.195 1.00 0.00 N ATOM 32 CZ ARG A 3 9.537 12.367 3.344 1.00 0.00 C ATOM 33 NH1 ARG A 3 9.088 11.835 2.215 1.00 0.00 N ATOM 34 NH2 ARG A 3 9.279 13.638 3.622 1.00 0.00 N ATOM 0 H ARG A 3 8.960 8.390 7.913 1.00 0.00 H new ATOM 0 HA ARG A 3 8.686 7.672 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.656 7.494 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.362 7.777 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.361 9.917 6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.994 9.699 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.396 10.155 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.716 9.723 3.512 1.00 0.00 H new ATOM 0 HE ARG A 3 10.571 12.070 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.283 10.857 1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.547 12.403 1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.621 14.050 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.738 14.204 2.968 1.00 0.00 H new ATOM 48 N THR A 4 8.981 5.368 7.121 1.00 0.00 N ATOM 49 CA THR A 4 9.042 3.934 7.372 1.00 0.00 C ATOM 50 C THR A 4 7.816 3.225 6.811 1.00 0.00 C ATOM 51 O THR A 4 6.727 3.797 6.751 1.00 0.00 O ATOM 52 CB THR A 4 9.151 3.632 8.879 1.00 0.00 C ATOM 53 OG1 THR A 4 9.267 4.852 9.617 1.00 0.00 O ATOM 54 CG2 THR A 4 10.351 2.743 9.168 1.00 0.00 C ATOM 0 H THR A 4 8.208 5.845 7.585 1.00 0.00 H new ATOM 0 HA THR A 4 9.935 3.563 6.869 1.00 0.00 H new ATOM 0 HB THR A 4 8.247 3.107 9.187 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.334 4.650 10.574 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.407 2.544 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.245 1.802 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.262 3.246 8.844 1.00 0.00 H new ATOM 62 N CYS A 5 7.998 1.974 6.399 1.00 0.00 N ATOM 63 CA CYS A 5 6.906 1.185 5.841 1.00 0.00 C ATOM 64 C CYS A 5 5.783 1.013 6.861 1.00 0.00 C ATOM 65 O CYS A 5 6.034 0.888 8.059 1.00 0.00 O ATOM 66 CB CYS A 5 7.417 -0.185 5.392 1.00 0.00 C ATOM 67 SG CYS A 5 6.156 -1.217 4.576 1.00 0.00 S ATOM 0 H CYS A 5 8.892 1.485 6.441 1.00 0.00 H new ATOM 0 HA CYS A 5 6.510 1.718 4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.253 -0.043 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.803 -0.720 6.260 1.00 0.00 H new ATOM 72 N ALA A 6 4.547 1.008 6.376 1.00 0.00 N ATOM 73 CA ALA A 6 3.386 0.849 7.243 1.00 0.00 C ATOM 74 C ALA A 6 3.045 -0.625 7.438 1.00 0.00 C ATOM 75 O ALA A 6 1.949 -0.964 7.886 1.00 0.00 O ATOM 76 CB ALA A 6 2.192 1.597 6.671 1.00 0.00 C ATOM 0 H ALA A 6 4.323 1.112 5.386 1.00 0.00 H new ATOM 0 HA ALA A 6 3.631 1.271 8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.333 1.469 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.432 2.657 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.954 1.202 5.683 1.00 0.00 H new ATOM 82 N ARG A 7 3.989 -1.496 7.099 1.00 0.00 N ATOM 83 CA ARG A 7 3.788 -2.934 7.235 1.00 0.00 C ATOM 84 C ARG A 7 5.002 -3.595 7.881 1.00 0.00 C ATOM 85 O ARG A 7 4.865 -4.409 8.795 1.00 0.00 O ATOM 86 CB ARG A 7 3.517 -3.564 5.868 1.00 0.00 C ATOM 87 CG ARG A 7 2.778 -2.645 4.909 1.00 0.00 C ATOM 88 CD ARG A 7 1.356 -2.379 5.377 1.00 0.00 C ATOM 89 NE ARG A 7 1.057 -3.061 6.633 1.00 0.00 N ATOM 90 CZ ARG A 7 0.646 -4.322 6.706 1.00 0.00 C ATOM 91 NH1 ARG A 7 0.487 -5.036 5.600 1.00 0.00 N ATOM 92 NH2 ARG A 7 0.394 -4.872 7.887 1.00 0.00 N ATOM 0 H ARG A 7 4.901 -1.231 6.728 1.00 0.00 H new ATOM 0 HA ARG A 7 2.924 -3.095 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.466 -3.857 5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.935 -4.475 6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.316 -1.701 4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.757 -3.094 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.211 -1.306 5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.654 -2.707 4.610 1.00 0.00 H new ATOM 0 HE ARG A 7 1.170 -2.540 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.680 -4.617 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.171 -6.004 5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.516 -4.326 8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.078 -5.840 7.942 1.00 0.00 H new ATOM 106 N CYS A 8 6.188 -3.240 7.400 1.00 0.00 N ATOM 107 CA CYS A 8 7.426 -3.798 7.928 1.00 0.00 C ATOM 108 C CYS A 8 8.107 -2.813 8.874 1.00 0.00 C ATOM 109 O CYS A 8 8.945 -3.198 9.689 1.00 0.00 O ATOM 110 CB CYS A 8 8.374 -4.163 6.784 1.00 0.00 C ATOM 111 SG CYS A 8 7.546 -4.890 5.334 1.00 0.00 S ATOM 0 H CYS A 8 6.318 -2.567 6.644 1.00 0.00 H new ATOM 0 HA CYS A 8 7.179 -4.700 8.488 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.910 -3.267 6.471 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.119 -4.867 7.155 1.00 0.00 H new ATOM 116 N GLN A 9 7.741 -1.541 8.757 1.00 0.00 N ATOM 117 CA GLN A 9 8.317 -0.500 9.601 1.00 0.00 C ATOM 118 C GLN A 9 9.791 -0.288 9.273 1.00 0.00 C ATOM 119 O GLN A 9 10.567 0.153 10.120 1.00 0.00 O ATOM 120 CB GLN A 9 8.159 -0.866 11.078 1.00 0.00 C ATOM 121 CG GLN A 9 7.239 0.074 11.842 1.00 0.00 C ATOM 122 CD GLN A 9 6.612 -0.584 13.056 1.00 0.00 C ATOM 123 OE1 GLN A 9 6.824 -0.152 14.189 1.00 0.00 O ATOM 124 NE2 GLN A 9 5.834 -1.634 12.825 1.00 0.00 N ATOM 0 H GLN A 9 7.049 -1.206 8.087 1.00 0.00 H new ATOM 0 HA GLN A 9 7.782 0.429 9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.771 -1.882 11.153 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.141 -0.865 11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.803 0.951 12.159 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.451 0.426 11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.686 -1.958 11.869 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.384 -2.117 13.603 1.00 0.00 H new ATOM 133 N GLU A 10 10.169 -0.604 8.038 1.00 0.00 N ATOM 134 CA GLU A 10 11.551 -0.448 7.601 1.00 0.00 C ATOM 135 C GLU A 10 11.761 0.909 6.933 1.00 0.00 C ATOM 136 O GLU A 10 10.893 1.396 6.208 1.00 0.00 O ATOM 137 CB GLU A 10 11.932 -1.569 6.632 1.00 0.00 C ATOM 138 CG GLU A 10 12.399 -2.838 7.324 1.00 0.00 C ATOM 139 CD GLU A 10 12.629 -3.981 6.353 1.00 0.00 C ATOM 140 OE1 GLU A 10 13.374 -4.919 6.708 1.00 0.00 O ATOM 141 OE2 GLU A 10 12.066 -3.937 5.240 1.00 0.00 O ATOM 0 H GLU A 10 9.539 -0.969 7.324 1.00 0.00 H new ATOM 0 HA GLU A 10 12.192 -0.504 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.072 -1.803 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.722 -1.214 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.323 -2.634 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.657 -3.138 8.064 1.00 0.00 H new ATOM 148 N SER A 11 12.918 1.512 7.183 1.00 0.00 N ATOM 149 CA SER A 11 13.240 2.815 6.611 1.00 0.00 C ATOM 150 C SER A 11 13.108 2.788 5.091 1.00 0.00 C ATOM 151 O SER A 11 13.498 1.817 4.440 1.00 0.00 O ATOM 152 CB SER A 11 14.659 3.231 7.004 1.00 0.00 C ATOM 153 OG SER A 11 14.907 4.584 6.663 1.00 0.00 O ATOM 0 H SER A 11 13.648 1.120 7.777 1.00 0.00 H new ATOM 0 HA SER A 11 12.533 3.544 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.798 3.092 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.382 2.588 6.502 1.00 0.00 H new ATOM 0 HG SER A 11 15.820 4.826 6.926 1.00 0.00 H new ATOM 159 N LEU A 12 12.557 3.859 4.532 1.00 0.00 N ATOM 160 CA LEU A 12 12.373 3.960 3.089 1.00 0.00 C ATOM 161 C LEU A 12 13.544 4.692 2.441 1.00 0.00 C ATOM 162 O LEU A 12 13.495 5.042 1.262 1.00 0.00 O ATOM 163 CB LEU A 12 11.064 4.685 2.771 1.00 0.00 C ATOM 164 CG LEU A 12 9.781 3.887 3.006 1.00 0.00 C ATOM 165 CD1 LEU A 12 9.294 3.265 1.707 1.00 0.00 C ATOM 166 CD2 LEU A 12 10.006 2.815 4.062 1.00 0.00 C ATOM 0 H LEU A 12 12.230 4.670 5.056 1.00 0.00 H new ATOM 0 HA LEU A 12 12.329 2.950 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.019 5.593 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.089 4.996 1.727 1.00 0.00 H new ATOM 0 HG LEU A 12 9.012 4.570 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.380 2.701 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.093 4.052 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.060 2.596 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.083 2.257 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.790 2.135 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.307 3.284 4.999 1.00 0.00 H new ATOM 178 N GLY A 13 14.597 4.921 3.220 1.00 0.00 N ATOM 179 CA GLY A 13 15.766 5.609 2.704 1.00 0.00 C ATOM 180 C GLY A 13 16.042 5.273 1.252 1.00 0.00 C ATOM 181 O GLY A 13 15.669 6.026 0.352 1.00 0.00 O ATOM 0 H GLY A 13 14.661 4.642 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.624 6.685 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.635 5.345 3.307 1.00 0.00 H new ATOM 185 N ARG A 14 16.700 4.142 1.021 1.00 0.00 N ATOM 186 CA ARG A 14 17.029 3.710 -0.332 1.00 0.00 C ATOM 187 C ARG A 14 15.802 3.129 -1.030 1.00 0.00 C ATOM 188 O ARG A 14 15.843 2.016 -1.556 1.00 0.00 O ATOM 189 CB ARG A 14 18.151 2.672 -0.301 1.00 0.00 C ATOM 190 CG ARG A 14 19.540 3.271 -0.447 1.00 0.00 C ATOM 191 CD ARG A 14 20.603 2.368 0.158 1.00 0.00 C ATOM 192 NE ARG A 14 21.865 2.444 -0.573 1.00 0.00 N ATOM 193 CZ ARG A 14 22.703 3.472 -0.489 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.414 4.504 0.290 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.833 3.467 -1.185 1.00 0.00 N ATOM 0 H ARG A 14 17.016 3.507 1.754 1.00 0.00 H new ATOM 0 HA ARG A 14 17.367 4.582 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.099 2.121 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.990 1.951 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.758 3.434 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.570 4.246 0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.769 2.649 1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 14 20.246 1.338 0.159 1.00 0.00 H new ATOM 0 HE ARG A 14 22.117 1.665 -1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 14 21.547 4.511 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.059 5.292 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.059 2.674 -1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.476 4.256 -1.120 1.00 0.00 H new ATOM 209 N LEU A 15 14.712 3.889 -1.029 1.00 0.00 N ATOM 210 CA LEU A 15 13.474 3.449 -1.662 1.00 0.00 C ATOM 211 C LEU A 15 12.720 4.632 -2.263 1.00 0.00 C ATOM 212 O LEU A 15 11.538 4.525 -2.590 1.00 0.00 O ATOM 213 CB LEU A 15 12.586 2.728 -0.646 1.00 0.00 C ATOM 214 CG LEU A 15 11.454 1.880 -1.225 1.00 0.00 C ATOM 215 CD1 LEU A 15 11.890 1.223 -2.524 1.00 0.00 C ATOM 216 CD2 LEU A 15 11.003 0.831 -0.219 1.00 0.00 C ATOM 0 H LEU A 15 14.661 4.812 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 15 13.731 2.758 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.218 2.085 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.150 3.474 0.019 1.00 0.00 H new ATOM 0 HG LEU A 15 10.609 2.535 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.071 0.623 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.161 1.992 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.751 0.582 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.197 0.237 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.841 0.180 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.648 1.324 0.686 1.00 0.00 H new ATOM 228 N SER A 16 13.413 5.757 -2.407 1.00 0.00 N ATOM 229 CA SER A 16 12.809 6.960 -2.968 1.00 0.00 C ATOM 230 C SER A 16 11.348 7.082 -2.545 1.00 0.00 C ATOM 231 O SER A 16 10.427 6.834 -3.324 1.00 0.00 O ATOM 232 CB SER A 16 12.910 6.943 -4.494 1.00 0.00 C ATOM 233 OG SER A 16 14.255 7.086 -4.918 1.00 0.00 O ATOM 0 H SER A 16 14.393 5.861 -2.143 1.00 0.00 H new ATOM 0 HA SER A 16 13.354 7.823 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.502 6.008 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.306 7.749 -4.911 1.00 0.00 H new ATOM 0 HG SER A 16 14.293 7.070 -5.897 1.00 0.00 H new ATOM 239 N PRO A 17 11.129 7.474 -1.282 1.00 0.00 N ATOM 240 CA PRO A 17 9.783 7.638 -0.725 1.00 0.00 C ATOM 241 C PRO A 17 9.050 8.833 -1.326 1.00 0.00 C ATOM 242 O PRO A 17 8.747 9.803 -0.629 1.00 0.00 O ATOM 243 CB PRO A 17 10.041 7.863 0.766 1.00 0.00 C ATOM 244 CG PRO A 17 11.420 8.423 0.833 1.00 0.00 C ATOM 245 CD PRO A 17 12.179 7.786 -0.297 1.00 0.00 C ATOM 0 HA PRO A 17 9.147 6.779 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.313 8.552 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.965 6.931 1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.406 9.508 0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.886 8.199 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.928 8.462 -0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.704 6.888 0.028 1.00 0.00 H new ATOM 253 N LYS A 18 8.767 8.757 -2.622 1.00 0.00 N ATOM 254 CA LYS A 18 8.067 9.831 -3.316 1.00 0.00 C ATOM 255 C LYS A 18 6.854 9.294 -4.069 1.00 0.00 C ATOM 256 O LYS A 18 6.044 10.060 -4.591 1.00 0.00 O ATOM 257 CB LYS A 18 9.014 10.537 -4.290 1.00 0.00 C ATOM 258 CG LYS A 18 10.446 10.038 -4.217 1.00 0.00 C ATOM 259 CD LYS A 18 11.078 10.354 -2.872 1.00 0.00 C ATOM 260 CE LYS A 18 12.285 11.268 -3.025 1.00 0.00 C ATOM 261 NZ LYS A 18 12.439 12.182 -1.860 1.00 0.00 N ATOM 0 H LYS A 18 9.012 7.962 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 18 7.721 10.547 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.643 10.402 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.000 11.607 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.466 8.961 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.033 10.496 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.341 10.828 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.381 9.427 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.186 10.665 -3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.182 11.856 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.272 12.788 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.590 12.776 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.563 11.621 -0.993 1.00 0.00 H new ATOM 275 N THR A 19 6.733 7.971 -4.119 1.00 0.00 N ATOM 276 CA THR A 19 5.620 7.330 -4.807 1.00 0.00 C ATOM 277 C THR A 19 5.266 5.997 -4.158 1.00 0.00 C ATOM 278 O THR A 19 4.523 5.198 -4.726 1.00 0.00 O ATOM 279 CB THR A 19 5.939 7.096 -6.295 1.00 0.00 C ATOM 280 OG1 THR A 19 6.119 5.697 -6.543 1.00 0.00 O ATOM 281 CG2 THR A 19 7.192 7.855 -6.707 1.00 0.00 C ATOM 0 H THR A 19 7.393 7.322 -3.691 1.00 0.00 H new ATOM 0 HA THR A 19 4.769 8.006 -4.728 1.00 0.00 H new ATOM 0 HB THR A 19 5.100 7.465 -6.886 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.282 5.222 -6.360 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.397 7.674 -7.762 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.041 8.922 -6.545 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.037 7.513 -6.110 1.00 0.00 H new ATOM 289 N ASN A 20 5.803 5.764 -2.966 1.00 0.00 N ATOM 290 CA ASN A 20 5.544 4.527 -2.239 1.00 0.00 C ATOM 291 C ASN A 20 4.508 4.747 -1.140 1.00 0.00 C ATOM 292 O ASN A 20 4.520 4.066 -0.114 1.00 0.00 O ATOM 293 CB ASN A 20 6.839 3.984 -1.633 1.00 0.00 C ATOM 294 CG ASN A 20 7.888 3.680 -2.686 1.00 0.00 C ATOM 295 OD1 ASN A 20 7.569 3.196 -3.773 1.00 0.00 O ATOM 296 ND2 ASN A 20 9.145 3.963 -2.369 1.00 0.00 N ATOM 0 H ASN A 20 6.421 6.416 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 20 5.149 3.797 -2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.238 4.711 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.621 3.077 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.893 3.780 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.363 4.363 -1.457 1.00 0.00 H new ATOM 303 N THR A 21 3.614 5.705 -1.361 1.00 0.00 N ATOM 304 CA THR A 21 2.572 6.017 -0.391 1.00 0.00 C ATOM 305 C THR A 21 1.210 5.527 -0.869 1.00 0.00 C ATOM 306 O THR A 21 0.551 6.182 -1.677 1.00 0.00 O ATOM 307 CB THR A 21 2.493 7.531 -0.118 1.00 0.00 C ATOM 308 OG1 THR A 21 3.780 8.027 0.270 1.00 0.00 O ATOM 309 CG2 THR A 21 1.478 7.832 0.973 1.00 0.00 C ATOM 0 H THR A 21 3.591 6.279 -2.204 1.00 0.00 H new ATOM 0 HA THR A 21 2.837 5.502 0.532 1.00 0.00 H new ATOM 0 HB THR A 21 2.174 8.027 -1.035 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.722 8.990 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.440 8.907 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.494 7.480 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.771 7.325 1.892 1.00 0.00 H new ATOM 317 N CYS A 22 0.792 4.370 -0.365 1.00 0.00 N ATOM 318 CA CYS A 22 -0.491 3.791 -0.740 1.00 0.00 C ATOM 319 C CYS A 22 -1.556 4.875 -0.881 1.00 0.00 C ATOM 320 O CYS A 22 -1.734 5.705 0.010 1.00 0.00 O ATOM 321 CB CYS A 22 -0.933 2.759 0.301 1.00 0.00 C ATOM 322 SG CYS A 22 -2.370 1.761 -0.206 1.00 0.00 S ATOM 0 H CYS A 22 1.325 3.815 0.305 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.370 3.296 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.097 2.092 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.173 3.276 1.230 1.00 0.00 H new ATOM 327 N ARG A 23 -2.261 4.861 -2.008 1.00 0.00 N ATOM 328 CA ARG A 23 -3.308 5.843 -2.267 1.00 0.00 C ATOM 329 C ARG A 23 -4.597 5.467 -1.543 1.00 0.00 C ATOM 330 O ARG A 23 -5.583 6.202 -1.587 1.00 0.00 O ATOM 331 CB ARG A 23 -3.568 5.957 -3.770 1.00 0.00 C ATOM 332 CG ARG A 23 -2.444 5.398 -4.628 1.00 0.00 C ATOM 333 CD ARG A 23 -2.442 6.018 -6.016 1.00 0.00 C ATOM 334 NE ARG A 23 -1.613 7.219 -6.079 1.00 0.00 N ATOM 335 CZ ARG A 23 -0.305 7.221 -5.847 1.00 0.00 C ATOM 336 NH1 ARG A 23 0.319 6.092 -5.541 1.00 0.00 N ATOM 337 NH2 ARG A 23 0.381 8.355 -5.923 1.00 0.00 N ATOM 0 H ARG A 23 -2.126 4.181 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.969 6.808 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.493 5.432 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.721 7.006 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.486 5.586 -4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.552 4.317 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.077 5.288 -6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.464 6.267 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.063 8.104 -6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.205 5.219 -5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.323 6.096 -5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.096 9.225 -6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.385 8.356 -5.745 1.00 0.00 H new ATOM 351 N GLY A 24 -4.582 4.317 -0.877 1.00 0.00 N ATOM 352 CA GLY A 24 -5.755 3.862 -0.154 1.00 0.00 C ATOM 353 C GLY A 24 -5.754 4.311 1.294 1.00 0.00 C ATOM 354 O GLY A 24 -6.757 4.819 1.795 1.00 0.00 O ATOM 0 H GLY A 24 -3.778 3.692 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.651 4.239 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.803 2.774 -0.194 1.00 0.00 H new ATOM 358 N CYS A 25 -4.625 4.124 1.968 1.00 0.00 N ATOM 359 CA CYS A 25 -4.497 4.511 3.368 1.00 0.00 C ATOM 360 C CYS A 25 -3.641 5.766 3.509 1.00 0.00 C ATOM 361 O CYS A 25 -3.709 6.466 4.519 1.00 0.00 O ATOM 362 CB CYS A 25 -3.884 3.368 4.181 1.00 0.00 C ATOM 363 SG CYS A 25 -2.513 2.512 3.343 1.00 0.00 S ATOM 0 H CYS A 25 -3.785 3.707 1.567 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.494 4.727 3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.525 3.764 5.131 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.664 2.642 4.413 1.00 0.00 H new ATOM 368 N ASN A 26 -2.836 6.044 2.489 1.00 0.00 N ATOM 369 CA ASN A 26 -1.965 7.215 2.499 1.00 0.00 C ATOM 370 C ASN A 26 -0.713 6.954 3.330 1.00 0.00 C ATOM 371 O ASN A 26 -0.048 7.889 3.779 1.00 0.00 O ATOM 372 CB ASN A 26 -2.715 8.428 3.052 1.00 0.00 C ATOM 373 CG ASN A 26 -2.337 9.714 2.343 1.00 0.00 C ATOM 374 OD1 ASN A 26 -1.611 10.546 2.890 1.00 0.00 O ATOM 375 ND2 ASN A 26 -2.827 9.883 1.120 1.00 0.00 N ATOM 0 H ASN A 26 -2.768 5.475 1.645 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.661 7.421 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.788 8.264 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.504 8.528 4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.606 10.729 0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.424 9.167 0.707 1.00 0.00 H new ATOM 382 N HIS A 27 -0.396 5.680 3.530 1.00 0.00 N ATOM 383 CA HIS A 27 0.778 5.296 4.305 1.00 0.00 C ATOM 384 C HIS A 27 1.884 4.772 3.393 1.00 0.00 C ATOM 385 O HIS A 27 1.629 4.372 2.258 1.00 0.00 O ATOM 386 CB HIS A 27 0.407 4.232 5.340 1.00 0.00 C ATOM 387 CG HIS A 27 -0.623 4.690 6.326 1.00 0.00 C ATOM 388 ND1 HIS A 27 -1.731 4.074 6.800 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -0.577 5.922 6.945 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -2.328 4.934 7.687 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -1.612 6.042 7.757 1.00 0.00 N flip ATOM 0 H HIS A 27 -0.936 4.895 3.166 1.00 0.00 H new ATOM 0 HA HIS A 27 1.147 6.182 4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.035 3.348 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 27 1.306 3.932 5.879 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.186 6.671 6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.236 4.737 8.238 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.823 6.853 8.339 1.00 0.00 H new ATOM 399 N LEU A 28 3.113 4.779 3.899 1.00 0.00 N ATOM 400 CA LEU A 28 4.258 4.305 3.131 1.00 0.00 C ATOM 401 C LEU A 28 4.273 2.781 3.058 1.00 0.00 C ATOM 402 O LEU A 28 3.822 2.101 3.979 1.00 0.00 O ATOM 403 CB LEU A 28 5.561 4.809 3.755 1.00 0.00 C ATOM 404 CG LEU A 28 5.996 6.219 3.353 1.00 0.00 C ATOM 405 CD1 LEU A 28 7.281 6.604 4.069 1.00 0.00 C ATOM 406 CD2 LEU A 28 6.176 6.310 1.845 1.00 0.00 C ATOM 0 H LEU A 28 3.341 5.108 4.837 1.00 0.00 H new ATOM 0 HA LEU A 28 4.171 4.698 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.457 4.778 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.359 4.115 3.491 1.00 0.00 H new ATOM 0 HG LEU A 28 5.215 6.919 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.576 7.610 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.119 6.577 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.070 5.901 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.486 7.320 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.939 5.599 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.233 6.076 1.351 1.00 0.00 H new ATOM 418 N VAL A 29 4.796 2.252 1.956 1.00 0.00 N ATOM 419 CA VAL A 29 4.873 0.809 1.764 1.00 0.00 C ATOM 420 C VAL A 29 6.013 0.440 0.822 1.00 0.00 C ATOM 421 O VAL A 29 6.024 0.837 -0.344 1.00 0.00 O ATOM 422 CB VAL A 29 3.554 0.246 1.201 1.00 0.00 C ATOM 423 CG1 VAL A 29 3.087 -0.944 2.023 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.487 1.330 1.162 1.00 0.00 C ATOM 0 H VAL A 29 5.172 2.801 1.183 1.00 0.00 H new ATOM 0 HA VAL A 29 5.058 0.369 2.744 1.00 0.00 H new ATOM 0 HB VAL A 29 3.731 -0.096 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.154 -1.328 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.846 -1.726 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.926 -0.633 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.562 0.916 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.311 1.704 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.823 2.149 0.526 1.00 0.00 H new ATOM 434 N CYS A 30 6.972 -0.323 1.334 1.00 0.00 N ATOM 435 CA CYS A 30 8.119 -0.747 0.539 1.00 0.00 C ATOM 436 C CYS A 30 7.669 -1.322 -0.801 1.00 0.00 C ATOM 437 O CYS A 30 6.474 -1.459 -1.059 1.00 0.00 O ATOM 438 CB CYS A 30 8.938 -1.789 1.304 1.00 0.00 C ATOM 439 SG CYS A 30 8.017 -3.305 1.716 1.00 0.00 S ATOM 0 H CYS A 30 6.978 -0.661 2.296 1.00 0.00 H new ATOM 0 HA CYS A 30 8.741 0.127 0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.811 -2.058 0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.307 -1.340 2.226 1.00 0.00 H new ATOM 444 N ARG A 31 8.636 -1.657 -1.649 1.00 0.00 N ATOM 445 CA ARG A 31 8.340 -2.217 -2.963 1.00 0.00 C ATOM 446 C ARG A 31 8.058 -3.713 -2.866 1.00 0.00 C ATOM 447 O ARG A 31 8.047 -4.419 -3.874 1.00 0.00 O ATOM 448 CB ARG A 31 9.507 -1.968 -3.921 1.00 0.00 C ATOM 449 CG ARG A 31 10.739 -2.802 -3.610 1.00 0.00 C ATOM 450 CD ARG A 31 11.730 -2.782 -4.763 1.00 0.00 C ATOM 451 NE ARG A 31 13.007 -2.188 -4.377 1.00 0.00 N ATOM 452 CZ ARG A 31 14.005 -1.975 -5.227 1.00 0.00 C ATOM 453 NH1 ARG A 31 13.875 -2.305 -6.504 1.00 0.00 N ATOM 454 NH2 ARG A 31 15.137 -1.429 -4.799 1.00 0.00 N ATOM 0 H ARG A 31 9.631 -1.551 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 31 7.449 -1.722 -3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.182 -2.181 -4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.775 -0.912 -3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.220 -2.421 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.441 -3.830 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.896 -3.800 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.306 -2.221 -5.596 1.00 0.00 H new ATOM 0 HE ARG A 31 13.140 -1.922 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.007 -2.724 -6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.643 -2.140 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.240 -1.173 -3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.903 -1.266 -5.452 1.00 0.00 H new ATOM 468 N ASP A 32 7.831 -4.188 -1.647 1.00 0.00 N ATOM 469 CA ASP A 32 7.547 -5.600 -1.418 1.00 0.00 C ATOM 470 C ASP A 32 6.188 -5.781 -0.747 1.00 0.00 C ATOM 471 O ASP A 32 5.676 -6.896 -0.649 1.00 0.00 O ATOM 472 CB ASP A 32 8.643 -6.229 -0.555 1.00 0.00 C ATOM 473 CG ASP A 32 8.301 -7.642 -0.124 1.00 0.00 C ATOM 474 OD1 ASP A 32 7.586 -8.336 -0.876 1.00 0.00 O ATOM 475 OD2 ASP A 32 8.749 -8.053 0.967 1.00 0.00 O ATOM 0 H ASP A 32 7.838 -3.617 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 32 7.523 -6.101 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.580 -6.239 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.805 -5.612 0.329 1.00 0.00 H new ATOM 480 N CYS A 33 5.611 -4.676 -0.286 1.00 0.00 N ATOM 481 CA CYS A 33 4.313 -4.711 0.376 1.00 0.00 C ATOM 482 C CYS A 33 3.219 -4.169 -0.541 1.00 0.00 C ATOM 483 O CYS A 33 2.100 -3.906 -0.101 1.00 0.00 O ATOM 484 CB CYS A 33 4.357 -3.899 1.672 1.00 0.00 C ATOM 485 SG CYS A 33 5.246 -4.719 3.034 1.00 0.00 S ATOM 0 H CYS A 33 6.022 -3.745 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 33 4.081 -5.749 0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.830 -2.938 1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.336 -3.691 1.992 1.00 0.00 H new ATOM 490 N ARG A 34 3.552 -4.007 -1.817 1.00 0.00 N ATOM 491 CA ARG A 34 2.599 -3.496 -2.795 1.00 0.00 C ATOM 492 C ARG A 34 1.976 -4.636 -3.594 1.00 0.00 C ATOM 493 O ARG A 34 2.665 -5.571 -4.003 1.00 0.00 O ATOM 494 CB ARG A 34 3.288 -2.513 -3.743 1.00 0.00 C ATOM 495 CG ARG A 34 4.489 -1.813 -3.129 1.00 0.00 C ATOM 496 CD ARG A 34 5.274 -1.033 -4.172 1.00 0.00 C ATOM 497 NE ARG A 34 6.012 -1.914 -5.073 1.00 0.00 N ATOM 498 CZ ARG A 34 6.704 -1.481 -6.120 1.00 0.00 C ATOM 499 NH1 ARG A 34 6.755 -0.185 -6.397 1.00 0.00 N ATOM 500 NH2 ARG A 34 7.350 -2.344 -6.895 1.00 0.00 N ATOM 0 H ARG A 34 4.474 -4.222 -2.198 1.00 0.00 H new ATOM 0 HA ARG A 34 1.806 -2.977 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.608 -3.048 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.565 -1.762 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.154 -1.136 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.140 -2.550 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.590 -0.413 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.970 -0.359 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 34 5.995 -2.917 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.262 0.483 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.288 0.144 -7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.315 -3.342 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.881 -2.009 -7.699 1.00 0.00 H new ATOM 514 N ILE A 35 0.667 -4.554 -3.811 1.00 0.00 N ATOM 515 CA ILE A 35 -0.049 -5.578 -4.560 1.00 0.00 C ATOM 516 C ILE A 35 -0.472 -5.061 -5.932 1.00 0.00 C ATOM 517 O ILE A 35 -1.480 -4.367 -6.059 1.00 0.00 O ATOM 518 CB ILE A 35 -1.298 -6.063 -3.799 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.926 -7.188 -2.832 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.366 -6.529 -4.777 1.00 0.00 C ATOM 521 CD1 ILE A 35 -0.166 -6.711 -1.614 1.00 0.00 C ATOM 0 H ILE A 35 0.081 -3.788 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 35 0.638 -6.415 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.701 -5.231 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.836 -7.693 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.323 -7.926 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.242 -6.869 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.647 -5.703 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.975 -7.350 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.065 -7.562 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.761 -6.232 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.775 -5.995 -1.062 1.00 0.00 H new ATOM 533 N GLN A 36 0.304 -5.408 -6.954 1.00 0.00 N ATOM 534 CA GLN A 36 0.009 -4.979 -8.315 1.00 0.00 C ATOM 535 C GLN A 36 -1.493 -4.992 -8.577 1.00 0.00 C ATOM 536 O GLN A 36 -2.082 -6.045 -8.819 1.00 0.00 O ATOM 537 CB GLN A 36 0.721 -5.885 -9.323 1.00 0.00 C ATOM 538 CG GLN A 36 1.923 -5.230 -9.984 1.00 0.00 C ATOM 539 CD GLN A 36 1.651 -3.799 -10.404 1.00 0.00 C ATOM 540 OE1 GLN A 36 0.420 -3.528 -10.821 1.00 0.00 O flip ATOM 541 NE2 GLN A 36 2.539 -2.947 -10.357 1.00 0.00 N flip ATOM 0 H GLN A 36 1.141 -5.984 -6.865 1.00 0.00 H new ATOM 0 HA GLN A 36 0.371 -3.958 -8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.045 -6.794 -8.817 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.011 -6.186 -10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.767 -5.248 -9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.214 -5.812 -10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.471 -3.200 -10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.342 -1.989 -10.645 1.00 0.00 H new ATOM 550 N GLU A 37 -2.109 -3.815 -8.523 1.00 0.00 N ATOM 551 CA GLU A 37 -3.543 -3.692 -8.753 1.00 0.00 C ATOM 552 C GLU A 37 -3.853 -3.635 -10.246 1.00 0.00 C ATOM 553 O GLU A 37 -2.974 -3.360 -11.063 1.00 0.00 O ATOM 554 CB GLU A 37 -4.088 -2.441 -8.060 1.00 0.00 C ATOM 555 CG GLU A 37 -4.277 -2.609 -6.562 1.00 0.00 C ATOM 556 CD GLU A 37 -5.348 -3.627 -6.219 1.00 0.00 C ATOM 557 OE1 GLU A 37 -6.488 -3.211 -5.925 1.00 0.00 O ATOM 558 OE2 GLU A 37 -5.044 -4.838 -6.243 1.00 0.00 O ATOM 0 H GLU A 37 -1.637 -2.933 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.028 -4.573 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.407 -1.610 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.044 -2.173 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.332 -2.916 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.541 -1.647 -6.123 1.00 0.00 H new ATOM 565 N SER A 38 -5.108 -3.896 -10.595 1.00 0.00 N ATOM 566 CA SER A 38 -5.533 -3.879 -11.990 1.00 0.00 C ATOM 567 C SER A 38 -6.093 -2.513 -12.370 1.00 0.00 C ATOM 568 O SER A 38 -6.719 -2.356 -13.418 1.00 0.00 O ATOM 569 CB SER A 38 -6.586 -4.962 -12.237 1.00 0.00 C ATOM 570 OG SER A 38 -6.045 -6.040 -12.980 1.00 0.00 O ATOM 0 H SER A 38 -5.849 -4.122 -9.931 1.00 0.00 H new ATOM 0 HA SER A 38 -4.661 -4.081 -12.613 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.966 -5.328 -11.283 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.433 -4.535 -12.774 1.00 0.00 H new ATOM 0 HG SER A 38 -6.737 -6.719 -13.123 1.00 0.00 H new ATOM 576 N ASN A 39 -5.863 -1.526 -11.510 1.00 0.00 N ATOM 577 CA ASN A 39 -6.344 -0.171 -11.755 1.00 0.00 C ATOM 578 C ASN A 39 -5.204 0.740 -12.197 1.00 0.00 C ATOM 579 O ASN A 39 -5.232 1.947 -11.959 1.00 0.00 O ATOM 580 CB ASN A 39 -7.004 0.393 -10.495 1.00 0.00 C ATOM 581 CG ASN A 39 -8.012 1.482 -10.808 1.00 0.00 C ATOM 582 OD1 ASN A 39 -9.127 1.204 -11.248 1.00 0.00 O ATOM 583 ND2 ASN A 39 -7.622 2.732 -10.582 1.00 0.00 N ATOM 0 H ASN A 39 -5.347 -1.639 -10.638 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.082 -0.213 -12.556 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.501 -0.414 -9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.235 0.792 -9.833 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.257 3.507 -10.774 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.688 2.917 -10.216 1.00 0.00 H new ATOM 590 N GLY A 40 -4.201 0.154 -12.844 1.00 0.00 N ATOM 591 CA GLY A 40 -3.065 0.927 -13.309 1.00 0.00 C ATOM 592 C GLY A 40 -2.222 1.462 -12.170 1.00 0.00 C ATOM 593 O GLY A 40 -1.383 2.343 -12.367 1.00 0.00 O ATOM 0 H GLY A 40 -4.155 -0.843 -13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.445 0.304 -13.954 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.420 1.760 -13.916 1.00 0.00 H new ATOM 597 N THR A 41 -2.444 0.932 -10.971 1.00 0.00 N ATOM 598 CA THR A 41 -1.701 1.365 -9.794 1.00 0.00 C ATOM 599 C THR A 41 -1.390 0.188 -8.876 1.00 0.00 C ATOM 600 O THR A 41 -1.359 -0.962 -9.315 1.00 0.00 O ATOM 601 CB THR A 41 -2.478 2.431 -8.999 1.00 0.00 C ATOM 602 OG1 THR A 41 -1.597 3.108 -8.095 1.00 0.00 O ATOM 603 CG2 THR A 41 -3.622 1.798 -8.221 1.00 0.00 C ATOM 0 H THR A 41 -3.133 0.202 -10.790 1.00 0.00 H new ATOM 0 HA THR A 41 -0.768 1.799 -10.152 1.00 0.00 H new ATOM 0 HB THR A 41 -2.893 3.149 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.457 4.028 -8.402 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.156 2.570 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.307 1.309 -8.914 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.224 1.061 -7.524 1.00 0.00 H new ATOM 611 N TRP A 42 -1.163 0.483 -7.601 1.00 0.00 N ATOM 612 CA TRP A 42 -0.856 -0.553 -6.621 1.00 0.00 C ATOM 613 C TRP A 42 -1.443 -0.204 -5.259 1.00 0.00 C ATOM 614 O TRP A 42 -1.647 0.968 -4.941 1.00 0.00 O ATOM 615 CB TRP A 42 0.657 -0.742 -6.505 1.00 0.00 C ATOM 616 CG TRP A 42 1.375 0.490 -6.043 1.00 0.00 C ATOM 617 CD1 TRP A 42 2.083 1.365 -6.817 1.00 0.00 C ATOM 618 CD2 TRP A 42 1.457 0.982 -4.701 1.00 0.00 C ATOM 619 NE1 TRP A 42 2.600 2.371 -6.038 1.00 0.00 N ATOM 620 CE2 TRP A 42 2.230 2.160 -4.736 1.00 0.00 C ATOM 621 CE3 TRP A 42 0.951 0.544 -3.474 1.00 0.00 C ATOM 622 CZ2 TRP A 42 2.507 2.900 -3.590 1.00 0.00 C ATOM 623 CZ3 TRP A 42 1.228 1.281 -2.339 1.00 0.00 C ATOM 624 CH2 TRP A 42 1.999 2.449 -2.403 1.00 0.00 C ATOM 0 H TRP A 42 -1.186 1.430 -7.222 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.306 -1.485 -6.962 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.862 -1.556 -5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.054 -1.043 -7.474 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.217 1.278 -7.885 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.167 3.149 -6.374 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.354 -0.354 -3.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.103 3.800 -3.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.843 0.951 -1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.196 3.004 -1.498 1.00 0.00 H new ATOM 635 N ARG A 43 -1.714 -1.228 -4.455 1.00 0.00 N ATOM 636 CA ARG A 43 -2.279 -1.028 -3.127 1.00 0.00 C ATOM 637 C ARG A 43 -1.637 -1.973 -2.115 1.00 0.00 C ATOM 638 O ARG A 43 -1.508 -3.171 -2.363 1.00 0.00 O ATOM 639 CB ARG A 43 -3.793 -1.248 -3.155 1.00 0.00 C ATOM 640 CG ARG A 43 -4.558 -0.129 -3.842 1.00 0.00 C ATOM 641 CD ARG A 43 -5.206 0.805 -2.834 1.00 0.00 C ATOM 642 NE ARG A 43 -6.389 1.466 -3.380 1.00 0.00 N ATOM 643 CZ ARG A 43 -7.557 0.859 -3.550 1.00 0.00 C ATOM 644 NH1 ARG A 43 -7.700 -0.417 -3.217 1.00 0.00 N ATOM 645 NH2 ARG A 43 -8.587 1.528 -4.054 1.00 0.00 N ATOM 0 H ARG A 43 -1.551 -2.204 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.073 -0.002 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.006 -2.188 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.156 -1.350 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.880 0.437 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.324 -0.555 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.485 0.241 -1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.483 1.558 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.313 2.448 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.911 -0.934 -2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.599 -0.881 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.481 2.509 -4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.484 1.061 -4.184 1.00 0.00 H new ATOM 659 N CYS A 44 -1.234 -1.424 -0.973 1.00 0.00 N ATOM 660 CA CYS A 44 -0.604 -2.215 0.077 1.00 0.00 C ATOM 661 C CYS A 44 -1.340 -3.536 0.277 1.00 0.00 C ATOM 662 O CYS A 44 -2.459 -3.716 -0.202 1.00 0.00 O ATOM 663 CB CYS A 44 -0.575 -1.430 1.389 1.00 0.00 C ATOM 664 SG CYS A 44 -2.212 -1.200 2.154 1.00 0.00 S ATOM 0 H CYS A 44 -1.333 -0.433 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 44 0.419 -2.432 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.075 -1.947 2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.131 -0.452 1.205 1.00 0.00 H new ATOM 669 N LYS A 45 -0.704 -4.459 0.991 1.00 0.00 N ATOM 670 CA LYS A 45 -1.296 -5.764 1.258 1.00 0.00 C ATOM 671 C LYS A 45 -2.430 -5.649 2.273 1.00 0.00 C ATOM 672 O LYS A 45 -3.135 -6.621 2.543 1.00 0.00 O ATOM 673 CB LYS A 45 -0.232 -6.735 1.774 1.00 0.00 C ATOM 674 CG LYS A 45 1.185 -6.348 1.385 1.00 0.00 C ATOM 675 CD LYS A 45 2.133 -7.531 1.482 1.00 0.00 C ATOM 676 CE LYS A 45 2.160 -8.332 0.190 1.00 0.00 C ATOM 677 NZ LYS A 45 2.847 -9.642 0.364 1.00 0.00 N ATOM 0 H LYS A 45 0.223 -4.327 1.396 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.705 -6.147 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.299 -6.791 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.446 -7.733 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.190 -5.959 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.535 -5.546 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.137 -7.176 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.827 -8.177 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.140 -8.500 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.667 -7.756 -0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.844 -10.158 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.828 -9.482 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.348 -10.202 1.084 1.00 0.00 H new ATOM 691 N VAL A 46 -2.599 -4.455 2.832 1.00 0.00 N ATOM 692 CA VAL A 46 -3.647 -4.213 3.815 1.00 0.00 C ATOM 693 C VAL A 46 -4.903 -3.657 3.154 1.00 0.00 C ATOM 694 O VAL A 46 -6.001 -3.749 3.704 1.00 0.00 O ATOM 695 CB VAL A 46 -3.178 -3.231 4.906 1.00 0.00 C ATOM 696 CG1 VAL A 46 -4.130 -3.257 6.093 1.00 0.00 C ATOM 697 CG2 VAL A 46 -1.759 -3.560 5.344 1.00 0.00 C ATOM 0 H VAL A 46 -2.023 -3.640 2.620 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.877 -5.174 4.275 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.181 -2.224 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.783 -2.557 6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.129 -2.970 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.161 -4.263 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.444 -2.857 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.727 -4.574 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.088 -3.486 4.489 1.00 0.00 H new ATOM 707 N CYS A 47 -4.735 -3.081 1.968 1.00 0.00 N ATOM 708 CA CYS A 47 -5.855 -2.510 1.229 1.00 0.00 C ATOM 709 C CYS A 47 -6.315 -3.456 0.123 1.00 0.00 C ATOM 710 O CYS A 47 -7.499 -3.777 0.020 1.00 0.00 O ATOM 711 CB CYS A 47 -5.461 -1.160 0.628 1.00 0.00 C ATOM 712 SG CYS A 47 -5.406 0.204 1.835 1.00 0.00 S ATOM 0 H CYS A 47 -3.834 -2.997 1.498 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.681 -2.363 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.482 -1.255 0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.169 -0.905 -0.160 1.00 0.00 H new ATOM 717 N ALA A 48 -5.372 -3.898 -0.701 1.00 0.00 N ATOM 718 CA ALA A 48 -5.681 -4.808 -1.797 1.00 0.00 C ATOM 719 C ALA A 48 -6.117 -6.172 -1.272 1.00 0.00 C ATOM 720 O ALA A 48 -6.940 -6.852 -1.887 1.00 0.00 O ATOM 721 CB ALA A 48 -4.476 -4.955 -2.716 1.00 0.00 C ATOM 0 H ALA A 48 -4.387 -3.641 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.509 -4.385 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.720 -5.637 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.210 -3.981 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.633 -5.352 -2.150 1.00 0.00 H new ATOM 727 N LYS A 49 -5.561 -6.567 -0.132 1.00 0.00 N ATOM 728 CA LYS A 49 -5.893 -7.849 0.477 1.00 0.00 C ATOM 729 C LYS A 49 -6.324 -7.667 1.929 1.00 0.00 C ATOM 730 O LYS A 49 -5.882 -6.739 2.604 1.00 0.00 O ATOM 731 CB LYS A 49 -4.694 -8.798 0.406 1.00 0.00 C ATOM 732 CG LYS A 49 -4.890 -9.955 -0.558 1.00 0.00 C ATOM 733 CD LYS A 49 -5.022 -11.278 0.178 1.00 0.00 C ATOM 734 CE LYS A 49 -3.678 -11.976 0.313 1.00 0.00 C ATOM 735 NZ LYS A 49 -2.983 -11.601 1.576 1.00 0.00 N ATOM 0 H LYS A 49 -4.878 -6.017 0.389 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.724 -8.281 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.811 -8.233 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.496 -9.195 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.782 -9.782 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.046 -10.003 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.444 -11.105 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.717 -11.925 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.825 -13.056 0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.048 -11.719 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.042 -12.044 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.880 -10.567 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.541 -11.930 2.390 1.00 0.00 H new ATOM 749 N GLU A 50 -7.189 -8.559 2.401 1.00 0.00 N ATOM 750 CA GLU A 50 -7.678 -8.495 3.774 1.00 0.00 C ATOM 751 C GLU A 50 -7.448 -9.820 4.496 1.00 0.00 C ATOM 752 O GLU A 50 -8.203 -10.188 5.397 1.00 0.00 O ATOM 753 CB GLU A 50 -9.167 -8.145 3.793 1.00 0.00 C ATOM 754 CG GLU A 50 -9.544 -7.143 4.870 1.00 0.00 C ATOM 755 CD GLU A 50 -11.035 -6.873 4.923 1.00 0.00 C ATOM 756 OE1 GLU A 50 -11.761 -7.394 4.051 1.00 0.00 O ATOM 757 OE2 GLU A 50 -11.475 -6.141 5.833 1.00 0.00 O ATOM 0 H GLU A 50 -7.565 -9.333 1.854 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.122 -7.715 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.449 -7.743 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.744 -9.058 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.212 -7.515 5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.016 -6.207 4.690 1.00 0.00 H new ATOM 764 N ILE A 51 -6.400 -10.531 4.094 1.00 0.00 N ATOM 765 CA ILE A 51 -6.070 -11.814 4.703 1.00 0.00 C ATOM 766 C ILE A 51 -7.312 -12.684 4.860 1.00 0.00 C ATOM 767 O ILE A 51 -7.861 -12.805 5.955 1.00 0.00 O ATOM 768 CB ILE A 51 -5.407 -11.629 6.080 1.00 0.00 C ATOM 769 CG1 ILE A 51 -4.446 -10.439 6.054 1.00 0.00 C ATOM 770 CG2 ILE A 51 -4.676 -12.898 6.490 1.00 0.00 C ATOM 771 CD1 ILE A 51 -3.212 -10.677 5.212 1.00 0.00 C ATOM 0 H ILE A 51 -5.765 -10.241 3.350 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.366 -12.309 4.034 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.185 -11.426 6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.973 -9.565 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.141 -10.207 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.212 -12.752 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.385 -13.724 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.906 -13.129 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.576 -9.792 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.662 -11.531 5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.507 -10.879 4.183 1.00 0.00 H new ATOM 783 N GLU A 52 -7.748 -13.289 3.759 1.00 0.00 N ATOM 784 CA GLU A 52 -8.925 -14.149 3.777 1.00 0.00 C ATOM 785 C GLU A 52 -10.051 -13.514 4.588 1.00 0.00 C ATOM 786 O GLU A 52 -10.848 -12.736 4.061 1.00 0.00 O ATOM 787 CB GLU A 52 -8.574 -15.520 4.359 1.00 0.00 C ATOM 788 CG GLU A 52 -9.788 -16.387 4.648 1.00 0.00 C ATOM 789 CD GLU A 52 -9.525 -17.861 4.400 1.00 0.00 C ATOM 790 OE1 GLU A 52 -9.297 -18.233 3.230 1.00 0.00 O ATOM 791 OE2 GLU A 52 -9.547 -18.640 5.375 1.00 0.00 O ATOM 0 H GLU A 52 -7.304 -13.199 2.845 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.266 -14.275 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.921 -16.045 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.010 -15.380 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.092 -16.246 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.620 -16.060 4.024 1.00 0.00 H new ATOM 798 N LEU A 53 -10.111 -13.851 5.871 1.00 0.00 N ATOM 799 CA LEU A 53 -11.140 -13.314 6.756 1.00 0.00 C ATOM 800 C LEU A 53 -11.033 -11.796 6.858 1.00 0.00 C ATOM 801 O LEU A 53 -11.454 -11.099 5.936 1.00 0.00 O ATOM 802 CB LEU A 53 -11.021 -13.940 8.146 1.00 0.00 C ATOM 803 CG LEU A 53 -12.333 -14.378 8.800 1.00 0.00 C ATOM 804 CD1 LEU A 53 -13.485 -13.512 8.315 1.00 0.00 C ATOM 805 CD2 LEU A 53 -12.608 -15.846 8.512 1.00 0.00 C ATOM 0 H LEU A 53 -9.460 -14.493 6.322 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.114 -13.563 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.365 -14.808 8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.532 -13.223 8.805 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.240 -14.252 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.410 -13.838 8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.291 -12.471 8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.580 -13.606 7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.545 -16.140 8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.682 -15.998 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.795 -16.453 8.909 1.00 0.00 H new TER 817 LEU A 53 HETATM 818 ZN ZN A 201 6.935 -3.264 3.781 1.00 0.00 ZN HETATM 819 ZN ZN A 202 -3.173 0.893 1.803 1.00 0.00 ZN