USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 552 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0688) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= -0.938 (180deg=-2.07!) USER MOD Single : A 20 SER OG : rot 26:sc= 0.548 USER MOD Single : A 21 GLN : amide:sc= -2.16 K(o=-2.2,f=-4.4!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.33) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -4.28! C(o=-4.3!,f=-5.3!) USER MOD Single : A 34 SER OG : rot 47:sc= 0.587 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.353 (180deg=-0.967) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -3.79 F(o=-7.5!,f=-3.8) USER MOD Single : A 44 THR OG1 : rot 60:sc= 1.16 USER MOD Single : A 49 ASN : amide:sc= -0.0856 K(o=-0.086,f=-1.7!) USER MOD Single : A 50 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.4) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.503 F(o=-1.7,f=-0.5) USER MOD Single : A 61 SER OG : rot -11:sc= 0.266! USER MOD Single : A 62 ASN : amide:sc= 1.13 K(o=1.1,f=-0.13) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= -0.903 (180deg=-1.77!) USER MOD Single : A 71 SER OG : rot -160:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.131 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.946 -41.866 32.631 1.00 0.00 N ATOM 2 CA GLY A 1 23.749 -42.118 31.850 1.00 0.00 C ATOM 3 C GLY A 1 23.977 -43.139 30.753 1.00 0.00 C ATOM 4 O GLY A 1 24.887 -42.991 29.937 1.00 0.00 O ATOM 0 H1 GLY A 1 24.738 -41.162 33.367 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.262 -42.751 33.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.697 -41.505 32.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.956 -42.469 32.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.405 -41.184 31.407 1.00 0.00 H new ATOM 8 N SER A 2 23.149 -44.179 30.734 1.00 0.00 N ATOM 9 CA SER A 2 23.269 -45.232 29.733 1.00 0.00 C ATOM 10 C SER A 2 22.860 -44.720 28.355 1.00 0.00 C ATOM 11 O SER A 2 23.663 -44.707 27.422 1.00 0.00 O ATOM 12 CB SER A 2 22.404 -46.434 30.120 1.00 0.00 C ATOM 13 OG SER A 2 21.073 -46.036 30.399 1.00 0.00 O ATOM 0 H SER A 2 22.388 -44.315 31.400 1.00 0.00 H new ATOM 0 HA SER A 2 24.313 -45.543 29.691 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.407 -47.164 29.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.830 -46.926 30.994 1.00 0.00 H new ATOM 0 HG SER A 2 20.541 -46.822 30.642 1.00 0.00 H new ATOM 19 N SER A 3 21.604 -44.300 28.235 1.00 0.00 N ATOM 20 CA SER A 3 21.086 -43.791 26.971 1.00 0.00 C ATOM 21 C SER A 3 19.664 -43.265 27.139 1.00 0.00 C ATOM 22 O SER A 3 19.062 -43.399 28.204 1.00 0.00 O ATOM 23 CB SER A 3 21.113 -44.888 25.905 1.00 0.00 C ATOM 24 OG SER A 3 20.417 -46.043 26.344 1.00 0.00 O ATOM 0 H SER A 3 20.927 -44.302 28.998 1.00 0.00 H new ATOM 0 HA SER A 3 21.724 -42.968 26.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.663 -44.516 24.985 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.146 -45.148 25.672 1.00 0.00 H new ATOM 0 HG SER A 3 20.447 -46.729 25.645 1.00 0.00 H new ATOM 30 N GLY A 4 19.131 -42.665 26.079 1.00 0.00 N ATOM 31 CA GLY A 4 17.785 -42.127 26.129 1.00 0.00 C ATOM 32 C GLY A 4 17.517 -41.130 25.019 1.00 0.00 C ATOM 33 O GLY A 4 18.391 -40.340 24.660 1.00 0.00 O ATOM 0 H GLY A 4 19.608 -42.542 25.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.068 -42.945 26.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.626 -41.644 27.093 1.00 0.00 H new ATOM 37 N SER A 5 16.306 -41.167 24.471 1.00 0.00 N ATOM 38 CA SER A 5 15.928 -40.264 23.391 1.00 0.00 C ATOM 39 C SER A 5 14.433 -40.362 23.099 1.00 0.00 C ATOM 40 O SER A 5 13.788 -41.354 23.436 1.00 0.00 O ATOM 41 CB SER A 5 16.728 -40.582 22.127 1.00 0.00 C ATOM 42 OG SER A 5 16.551 -41.934 21.738 1.00 0.00 O ATOM 0 H SER A 5 15.570 -41.813 24.758 1.00 0.00 H new ATOM 0 HA SER A 5 16.153 -39.245 23.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.413 -39.923 21.318 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.786 -40.386 22.303 1.00 0.00 H new ATOM 0 HG SER A 5 17.071 -42.112 20.927 1.00 0.00 H new ATOM 48 N SER A 6 13.890 -39.325 22.469 1.00 0.00 N ATOM 49 CA SER A 6 12.472 -39.292 22.134 1.00 0.00 C ATOM 50 C SER A 6 12.162 -38.130 21.195 1.00 0.00 C ATOM 51 O SER A 6 13.012 -37.276 20.945 1.00 0.00 O ATOM 52 CB SER A 6 11.629 -39.173 23.405 1.00 0.00 C ATOM 53 OG SER A 6 10.366 -39.794 23.239 1.00 0.00 O ATOM 0 H SER A 6 14.411 -38.497 22.181 1.00 0.00 H new ATOM 0 HA SER A 6 12.223 -40.224 21.626 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.157 -39.633 24.240 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.491 -38.121 23.656 1.00 0.00 H new ATOM 0 HG SER A 6 9.847 -39.706 24.066 1.00 0.00 H new ATOM 59 N GLY A 7 10.938 -38.106 20.676 1.00 0.00 N ATOM 60 CA GLY A 7 10.537 -37.046 19.770 1.00 0.00 C ATOM 61 C GLY A 7 9.253 -37.369 19.032 1.00 0.00 C ATOM 62 O GLY A 7 9.052 -38.500 18.586 1.00 0.00 O ATOM 0 H GLY A 7 10.217 -38.802 20.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.406 -36.122 20.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.333 -36.869 19.047 1.00 0.00 H new ATOM 66 N LEU A 8 8.381 -36.375 18.904 1.00 0.00 N ATOM 67 CA LEU A 8 7.107 -36.559 18.216 1.00 0.00 C ATOM 68 C LEU A 8 6.926 -35.516 17.118 1.00 0.00 C ATOM 69 O LEU A 8 7.416 -34.391 17.228 1.00 0.00 O ATOM 70 CB LEU A 8 5.950 -36.475 19.212 1.00 0.00 C ATOM 71 CG LEU A 8 5.725 -37.709 20.086 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.399 -38.920 19.226 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.947 -37.980 20.951 1.00 0.00 C ATOM 0 H LEU A 8 8.532 -35.434 19.267 1.00 0.00 H new ATOM 0 HA LEU A 8 7.110 -37.547 17.756 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.120 -35.619 19.865 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.033 -36.276 18.657 1.00 0.00 H new ATOM 0 HG LEU A 8 4.876 -37.516 20.742 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.242 -39.789 19.865 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.494 -38.725 18.651 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.227 -39.116 18.545 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.769 -38.862 21.566 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.814 -38.152 20.313 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.135 -37.121 21.594 1.00 0.00 H new ATOM 85 N LEU A 9 6.217 -35.895 16.060 1.00 0.00 N ATOM 86 CA LEU A 9 5.968 -34.992 14.942 1.00 0.00 C ATOM 87 C LEU A 9 4.559 -34.412 15.014 1.00 0.00 C ATOM 88 O LEU A 9 3.631 -35.068 15.485 1.00 0.00 O ATOM 89 CB LEU A 9 6.163 -35.726 13.614 1.00 0.00 C ATOM 90 CG LEU A 9 7.482 -36.482 13.452 1.00 0.00 C ATOM 91 CD1 LEU A 9 7.393 -37.856 14.098 1.00 0.00 C ATOM 92 CD2 LEU A 9 7.849 -36.605 11.980 1.00 0.00 C ATOM 0 H LEU A 9 5.804 -36.822 15.953 1.00 0.00 H new ATOM 0 HA LEU A 9 6.682 -34.171 15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.344 -36.434 13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.082 -35.000 12.805 1.00 0.00 H new ATOM 0 HG LEU A 9 8.267 -35.917 13.955 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.341 -38.379 13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.178 -37.745 15.161 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.596 -38.430 13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.790 -37.146 11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.064 -37.147 11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.956 -35.610 11.547 1.00 0.00 H new ATOM 104 N GLU A 10 4.408 -33.178 14.542 1.00 0.00 N ATOM 105 CA GLU A 10 3.111 -32.511 14.552 1.00 0.00 C ATOM 106 C GLU A 10 2.871 -31.769 13.241 1.00 0.00 C ATOM 107 O GLU A 10 3.680 -30.936 12.830 1.00 0.00 O ATOM 108 CB GLU A 10 3.024 -31.535 15.727 1.00 0.00 C ATOM 109 CG GLU A 10 2.524 -32.172 17.013 1.00 0.00 C ATOM 110 CD GLU A 10 1.085 -32.639 16.911 1.00 0.00 C ATOM 111 OE1 GLU A 10 0.845 -33.685 16.273 1.00 0.00 O ATOM 112 OE2 GLU A 10 0.199 -31.958 17.469 1.00 0.00 O ATOM 0 H GLU A 10 5.166 -32.621 14.149 1.00 0.00 H new ATOM 0 HA GLU A 10 2.340 -33.273 14.664 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.010 -31.104 15.904 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.361 -30.713 15.457 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.160 -33.020 17.265 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.612 -31.454 17.828 1.00 0.00 H new ATOM 119 N ILE A 11 1.755 -32.077 12.589 1.00 0.00 N ATOM 120 CA ILE A 11 1.408 -31.439 11.325 1.00 0.00 C ATOM 121 C ILE A 11 0.411 -30.305 11.537 1.00 0.00 C ATOM 122 O ILE A 11 -0.395 -30.338 12.467 1.00 0.00 O ATOM 123 CB ILE A 11 0.813 -32.451 10.329 1.00 0.00 C ATOM 124 CG1 ILE A 11 1.778 -33.619 10.117 1.00 0.00 C ATOM 125 CG2 ILE A 11 0.500 -31.769 9.005 1.00 0.00 C ATOM 126 CD1 ILE A 11 1.086 -34.922 9.784 1.00 0.00 C ATOM 0 H ILE A 11 1.076 -32.764 12.915 1.00 0.00 H new ATOM 0 HA ILE A 11 2.332 -31.035 10.911 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.116 -32.843 10.743 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.468 -33.368 9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.375 -33.754 11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.080 -32.497 8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.220 -30.968 9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.416 -31.353 8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.832 -35.705 9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.416 -35.197 10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.511 -34.804 8.866 1.00 0.00 H new ATOM 138 N LYS A 12 0.470 -29.302 10.667 1.00 0.00 N ATOM 139 CA LYS A 12 -0.429 -28.158 10.756 1.00 0.00 C ATOM 140 C LYS A 12 -0.387 -27.332 9.474 1.00 0.00 C ATOM 141 O LYS A 12 0.646 -26.756 9.130 1.00 0.00 O ATOM 142 CB LYS A 12 -0.055 -27.281 11.953 1.00 0.00 C ATOM 143 CG LYS A 12 -0.957 -26.070 12.125 1.00 0.00 C ATOM 144 CD LYS A 12 -2.231 -26.426 12.872 1.00 0.00 C ATOM 145 CE LYS A 12 -1.975 -26.595 14.362 1.00 0.00 C ATOM 146 NZ LYS A 12 -3.019 -27.436 15.012 1.00 0.00 N ATOM 0 H LYS A 12 1.132 -29.259 9.892 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.443 -28.534 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.093 -27.884 12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.975 -26.943 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.422 -25.291 12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.210 -25.661 11.147 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.976 -25.645 12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.646 -27.348 12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.996 -27.050 14.513 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.948 -25.615 14.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.809 -27.527 16.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.950 -26.989 14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.027 -28.379 14.574 1.00 0.00 H new ATOM 160 N ARG A 13 -1.514 -27.278 8.773 1.00 0.00 N ATOM 161 CA ARG A 13 -1.605 -26.522 7.530 1.00 0.00 C ATOM 162 C ARG A 13 -2.991 -25.906 7.368 1.00 0.00 C ATOM 163 O ARG A 13 -3.927 -26.258 8.086 1.00 0.00 O ATOM 164 CB ARG A 13 -1.294 -27.425 6.335 1.00 0.00 C ATOM 165 CG ARG A 13 -2.470 -28.284 5.899 1.00 0.00 C ATOM 166 CD ARG A 13 -2.534 -29.583 6.687 1.00 0.00 C ATOM 167 NE ARG A 13 -3.434 -29.484 7.833 1.00 0.00 N ATOM 168 CZ ARG A 13 -4.031 -30.532 8.391 1.00 0.00 C ATOM 169 NH1 ARG A 13 -3.822 -31.750 7.912 1.00 0.00 N ATOM 170 NH2 ARG A 13 -4.837 -30.361 9.431 1.00 0.00 N ATOM 0 H ARG A 13 -2.377 -27.749 9.045 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.871 -25.717 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.976 -26.806 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.455 -28.074 6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.398 -27.729 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.385 -28.506 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.868 -30.388 6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.535 -29.847 7.033 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.614 -28.560 8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.202 -31.884 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.281 -32.553 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.999 -29.425 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.295 -31.166 9.859 1.00 0.00 H new ATOM 184 N LYS A 14 -3.116 -24.982 6.420 1.00 0.00 N ATOM 185 CA LYS A 14 -4.387 -24.316 6.163 1.00 0.00 C ATOM 186 C LYS A 14 -5.556 -25.273 6.376 1.00 0.00 C ATOM 187 O LYS A 14 -6.479 -24.982 7.135 1.00 0.00 O ATOM 188 CB LYS A 14 -4.419 -23.767 4.735 1.00 0.00 C ATOM 189 CG LYS A 14 -4.122 -24.813 3.674 1.00 0.00 C ATOM 190 CD LYS A 14 -3.406 -24.207 2.479 1.00 0.00 C ATOM 191 CE LYS A 14 -1.898 -24.381 2.585 1.00 0.00 C ATOM 192 NZ LYS A 14 -1.267 -23.281 3.365 1.00 0.00 N ATOM 0 H LYS A 14 -2.352 -24.678 5.817 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.484 -23.489 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.401 -23.335 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.693 -22.958 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.508 -25.605 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.053 -25.274 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.764 -24.676 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.647 -23.146 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.675 -25.337 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.465 -24.412 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.232 -23.379 3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.542 -22.364 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.585 -23.330 4.354 1.00 0.00 H new ATOM 206 N GLY A 15 -5.508 -26.419 5.702 1.00 0.00 N ATOM 207 CA GLY A 15 -6.568 -27.401 5.833 1.00 0.00 C ATOM 208 C GLY A 15 -7.538 -27.367 4.669 1.00 0.00 C ATOM 209 O GLY A 15 -8.623 -26.797 4.773 1.00 0.00 O ATOM 0 H GLY A 15 -4.754 -26.684 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.130 -28.396 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.112 -27.222 6.760 1.00 0.00 H new ATOM 213 N ALA A 16 -7.145 -27.977 3.555 1.00 0.00 N ATOM 214 CA ALA A 16 -7.988 -28.013 2.366 1.00 0.00 C ATOM 215 C ALA A 16 -9.018 -29.134 2.458 1.00 0.00 C ATOM 216 O ALA A 16 -8.741 -30.203 3.003 1.00 0.00 O ATOM 217 CB ALA A 16 -7.133 -28.181 1.119 1.00 0.00 C ATOM 0 H ALA A 16 -6.249 -28.453 3.451 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.524 -27.066 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.775 -28.206 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.439 -27.344 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.572 -29.113 1.186 1.00 0.00 H new ATOM 223 N LYS A 17 -10.208 -28.882 1.923 1.00 0.00 N ATOM 224 CA LYS A 17 -11.280 -29.870 1.944 1.00 0.00 C ATOM 225 C LYS A 17 -12.290 -29.599 0.833 1.00 0.00 C ATOM 226 O LYS A 17 -12.596 -28.447 0.527 1.00 0.00 O ATOM 227 CB LYS A 17 -11.985 -29.859 3.302 1.00 0.00 C ATOM 228 CG LYS A 17 -12.273 -28.463 3.827 1.00 0.00 C ATOM 229 CD LYS A 17 -13.649 -27.979 3.400 1.00 0.00 C ATOM 230 CE LYS A 17 -14.731 -28.467 4.351 1.00 0.00 C ATOM 231 NZ LYS A 17 -15.089 -29.890 4.100 1.00 0.00 N ATOM 0 H LYS A 17 -10.454 -28.002 1.470 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.838 -30.853 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.923 -30.408 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.368 -30.390 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.207 -28.462 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.514 -27.772 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.658 -26.890 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.863 -28.332 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.388 -28.355 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.619 -27.844 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.065 -30.063 4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.013 -30.093 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.440 -30.509 4.626 1.00 0.00 H new ATOM 245 N ARG A 18 -12.805 -30.668 0.234 1.00 0.00 N ATOM 246 CA ARG A 18 -13.780 -30.546 -0.842 1.00 0.00 C ATOM 247 C ARG A 18 -14.699 -29.350 -0.610 1.00 0.00 C ATOM 248 O ARG A 18 -15.127 -29.092 0.514 1.00 0.00 O ATOM 249 CB ARG A 18 -14.611 -31.826 -0.955 1.00 0.00 C ATOM 250 CG ARG A 18 -15.379 -31.940 -2.261 1.00 0.00 C ATOM 251 CD ARG A 18 -16.476 -32.989 -2.173 1.00 0.00 C ATOM 252 NE ARG A 18 -17.481 -32.821 -3.219 1.00 0.00 N ATOM 253 CZ ARG A 18 -18.397 -33.737 -3.513 1.00 0.00 C ATOM 254 NH1 ARG A 18 -18.435 -34.879 -2.842 1.00 0.00 N ATOM 255 NH2 ARG A 18 -19.278 -33.510 -4.479 1.00 0.00 N ATOM 0 H ARG A 18 -12.563 -31.629 0.476 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.237 -30.390 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.951 -32.688 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.316 -31.866 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.817 -30.974 -2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.692 -32.197 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.034 -33.982 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.956 -32.930 -1.196 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.480 -31.952 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.760 -35.056 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.139 -35.581 -3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.252 -32.631 -4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.981 -34.214 -4.704 1.00 0.00 H new ATOM 269 N GLY A 19 -14.997 -28.621 -1.682 1.00 0.00 N ATOM 270 CA GLY A 19 -15.862 -27.461 -1.573 1.00 0.00 C ATOM 271 C GLY A 19 -15.237 -26.215 -2.169 1.00 0.00 C ATOM 272 O GLY A 19 -14.293 -26.300 -2.954 1.00 0.00 O ATOM 0 H GLY A 19 -14.655 -28.813 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.806 -27.667 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.093 -27.281 -0.523 1.00 0.00 H new ATOM 276 N SER A 20 -15.767 -25.054 -1.797 1.00 0.00 N ATOM 277 CA SER A 20 -15.259 -23.785 -2.305 1.00 0.00 C ATOM 278 C SER A 20 -13.734 -23.752 -2.258 1.00 0.00 C ATOM 279 O SER A 20 -13.134 -23.850 -1.188 1.00 0.00 O ATOM 280 CB SER A 20 -15.831 -22.621 -1.493 1.00 0.00 C ATOM 281 OG SER A 20 -15.367 -22.657 -0.154 1.00 0.00 O ATOM 0 H SER A 20 -16.547 -24.966 -1.146 1.00 0.00 H new ATOM 0 HA SER A 20 -15.575 -23.685 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.545 -21.676 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.920 -22.665 -1.505 1.00 0.00 H new ATOM 0 HG SER A 20 -14.509 -23.130 -0.118 1.00 0.00 H new ATOM 287 N GLN A 21 -13.115 -23.613 -3.426 1.00 0.00 N ATOM 288 CA GLN A 21 -11.661 -23.568 -3.518 1.00 0.00 C ATOM 289 C GLN A 21 -11.180 -22.159 -3.851 1.00 0.00 C ATOM 290 O GLN A 21 -10.776 -21.881 -4.980 1.00 0.00 O ATOM 291 CB GLN A 21 -11.165 -24.553 -4.579 1.00 0.00 C ATOM 292 CG GLN A 21 -11.856 -24.396 -5.924 1.00 0.00 C ATOM 293 CD GLN A 21 -13.197 -25.100 -5.977 1.00 0.00 C ATOM 294 OE1 GLN A 21 -13.395 -26.133 -5.336 1.00 0.00 O ATOM 295 NE2 GLN A 21 -14.128 -24.544 -6.744 1.00 0.00 N ATOM 0 H GLN A 21 -13.597 -23.530 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 21 -11.252 -23.853 -2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.092 -24.420 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.317 -25.570 -4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.998 -23.336 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.211 -24.792 -6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.921 -23.688 -7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.050 -24.973 -6.819 1.00 0.00 H new ATOM 304 N HIS A 22 -11.226 -21.274 -2.860 1.00 0.00 N ATOM 305 CA HIS A 22 -10.795 -19.894 -3.048 1.00 0.00 C ATOM 306 C HIS A 22 -9.540 -19.601 -2.231 1.00 0.00 C ATOM 307 O HIS A 22 -9.622 -19.225 -1.061 1.00 0.00 O ATOM 308 CB HIS A 22 -11.913 -18.929 -2.650 1.00 0.00 C ATOM 309 CG HIS A 22 -11.648 -17.509 -3.047 1.00 0.00 C ATOM 310 ND1 HIS A 22 -12.126 -16.428 -2.337 1.00 0.00 N ATOM 311 CD2 HIS A 22 -10.949 -16.996 -4.086 1.00 0.00 C ATOM 312 CE1 HIS A 22 -11.734 -15.311 -2.923 1.00 0.00 C ATOM 313 NE2 HIS A 22 -11.017 -15.628 -3.986 1.00 0.00 N ATOM 0 H HIS A 22 -11.557 -21.488 -1.919 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.562 -19.753 -4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.846 -19.258 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.055 -18.975 -1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.434 -17.558 -4.851 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.961 -14.309 -2.590 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.584 -14.964 -4.628 1.00 0.00 H new ATOM 321 N TYR A 23 -8.380 -19.775 -2.855 1.00 0.00 N ATOM 322 CA TYR A 23 -7.108 -19.533 -2.185 1.00 0.00 C ATOM 323 C TYR A 23 -6.566 -18.149 -2.529 1.00 0.00 C ATOM 324 O TYR A 23 -6.134 -17.403 -1.651 1.00 0.00 O ATOM 325 CB TYR A 23 -6.089 -20.604 -2.577 1.00 0.00 C ATOM 326 CG TYR A 23 -4.754 -20.453 -1.884 1.00 0.00 C ATOM 327 CD1 TYR A 23 -3.861 -19.457 -2.262 1.00 0.00 C ATOM 328 CD2 TYR A 23 -4.385 -21.305 -0.850 1.00 0.00 C ATOM 329 CE1 TYR A 23 -2.640 -19.316 -1.632 1.00 0.00 C ATOM 330 CE2 TYR A 23 -3.167 -21.170 -0.213 1.00 0.00 C ATOM 331 CZ TYR A 23 -2.298 -20.174 -0.608 1.00 0.00 C ATOM 332 OH TYR A 23 -1.083 -20.036 0.023 1.00 0.00 O ATOM 0 H TYR A 23 -8.295 -20.083 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.278 -19.580 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.500 -21.587 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.935 -20.569 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.127 -18.782 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.063 -22.086 -0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.957 -18.538 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.896 -21.840 0.590 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.998 -20.718 0.722 1.00 0.00 H new ATOM 342 N SER A 24 -6.592 -17.814 -3.815 1.00 0.00 N ATOM 343 CA SER A 24 -6.101 -16.521 -4.278 1.00 0.00 C ATOM 344 C SER A 24 -6.998 -15.390 -3.784 1.00 0.00 C ATOM 345 O SER A 24 -8.129 -15.234 -4.245 1.00 0.00 O ATOM 346 CB SER A 24 -6.026 -16.497 -5.806 1.00 0.00 C ATOM 347 OG SER A 24 -5.557 -15.245 -6.274 1.00 0.00 O ATOM 0 H SER A 24 -6.948 -18.420 -4.555 1.00 0.00 H new ATOM 0 HA SER A 24 -5.101 -16.373 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.363 -17.290 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.012 -16.699 -6.225 1.00 0.00 H new ATOM 0 HG SER A 24 -5.517 -15.256 -7.253 1.00 0.00 H new ATOM 353 N ASP A 25 -6.486 -14.605 -2.843 1.00 0.00 N ATOM 354 CA ASP A 25 -7.239 -13.487 -2.286 1.00 0.00 C ATOM 355 C ASP A 25 -6.461 -12.183 -2.429 1.00 0.00 C ATOM 356 O ASP A 25 -5.251 -12.192 -2.655 1.00 0.00 O ATOM 357 CB ASP A 25 -7.561 -13.745 -0.813 1.00 0.00 C ATOM 358 CG ASP A 25 -8.418 -14.980 -0.615 1.00 0.00 C ATOM 359 OD1 ASP A 25 -8.188 -15.981 -1.325 1.00 0.00 O ATOM 360 OD2 ASP A 25 -9.319 -14.945 0.248 1.00 0.00 O ATOM 0 H ASP A 25 -5.552 -14.722 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.171 -13.395 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.631 -13.858 -0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.077 -12.878 -0.400 1.00 0.00 H new ATOM 365 N ARG A 26 -7.164 -11.063 -2.296 1.00 0.00 N ATOM 366 CA ARG A 26 -6.540 -9.751 -2.412 1.00 0.00 C ATOM 367 C ARG A 26 -6.605 -8.998 -1.086 1.00 0.00 C ATOM 368 O ARG A 26 -7.588 -8.317 -0.793 1.00 0.00 O ATOM 369 CB ARG A 26 -7.224 -8.933 -3.509 1.00 0.00 C ATOM 370 CG ARG A 26 -7.262 -9.633 -4.857 1.00 0.00 C ATOM 371 CD ARG A 26 -5.916 -9.559 -5.562 1.00 0.00 C ATOM 372 NE ARG A 26 -5.766 -10.607 -6.568 1.00 0.00 N ATOM 373 CZ ARG A 26 -4.598 -10.963 -7.090 1.00 0.00 C ATOM 374 NH1 ARG A 26 -3.483 -10.358 -6.703 1.00 0.00 N ATOM 375 NH2 ARG A 26 -4.543 -11.927 -8.001 1.00 0.00 N ATOM 0 H ARG A 26 -8.166 -11.038 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.493 -9.897 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.244 -8.706 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.704 -7.981 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.544 -10.677 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.028 -9.176 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.808 -8.583 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.116 -9.646 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.604 -11.092 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.521 -9.617 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.587 -10.633 -7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.398 -12.395 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.645 -12.200 -8.401 1.00 0.00 H new ATOM 389 N THR A 27 -5.551 -9.127 -0.286 1.00 0.00 N ATOM 390 CA THR A 27 -5.488 -8.461 1.009 1.00 0.00 C ATOM 391 C THR A 27 -4.181 -7.694 1.170 1.00 0.00 C ATOM 392 O THR A 27 -3.200 -7.966 0.477 1.00 0.00 O ATOM 393 CB THR A 27 -5.626 -9.469 2.165 1.00 0.00 C ATOM 394 OG1 THR A 27 -4.971 -10.696 1.826 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.090 -9.738 2.477 1.00 0.00 C ATOM 0 H THR A 27 -4.729 -9.687 -0.513 1.00 0.00 H new ATOM 0 HA THR A 27 -6.322 -7.761 1.046 1.00 0.00 H new ATOM 0 HB THR A 27 -5.156 -9.040 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.062 -11.331 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.162 -10.453 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.578 -8.807 2.764 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.581 -10.148 1.594 1.00 0.00 H new ATOM 403 N CYS A 28 -4.172 -6.735 2.090 1.00 0.00 N ATOM 404 CA CYS A 28 -2.984 -5.929 2.344 1.00 0.00 C ATOM 405 C CYS A 28 -1.878 -6.773 2.970 1.00 0.00 C ATOM 406 O CYS A 28 -2.144 -7.673 3.765 1.00 0.00 O ATOM 407 CB CYS A 28 -3.327 -4.754 3.262 1.00 0.00 C ATOM 408 SG CYS A 28 -1.969 -3.558 3.477 1.00 0.00 S ATOM 0 H CYS A 28 -4.975 -6.497 2.672 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.626 -5.543 1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.195 -4.233 2.859 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.614 -5.142 4.239 1.00 0.00 H new ATOM 413 N ALA A 29 -0.635 -6.473 2.605 1.00 0.00 N ATOM 414 CA ALA A 29 0.512 -7.202 3.132 1.00 0.00 C ATOM 415 C ALA A 29 1.061 -6.528 4.385 1.00 0.00 C ATOM 416 O ALA A 29 2.149 -6.863 4.855 1.00 0.00 O ATOM 417 CB ALA A 29 1.598 -7.315 2.073 1.00 0.00 C ATOM 0 H ALA A 29 -0.397 -5.731 1.947 1.00 0.00 H new ATOM 0 HA ALA A 29 0.181 -8.204 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.448 -7.862 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.207 -7.847 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.918 -6.317 1.773 1.00 0.00 H new ATOM 423 N ARG A 30 0.303 -5.578 4.922 1.00 0.00 N ATOM 424 CA ARG A 30 0.715 -4.857 6.120 1.00 0.00 C ATOM 425 C ARG A 30 -0.401 -4.849 7.161 1.00 0.00 C ATOM 426 O ARG A 30 -0.147 -4.980 8.359 1.00 0.00 O ATOM 427 CB ARG A 30 1.107 -3.421 5.766 1.00 0.00 C ATOM 428 CG ARG A 30 2.078 -3.324 4.601 1.00 0.00 C ATOM 429 CD ARG A 30 3.507 -3.597 5.043 1.00 0.00 C ATOM 430 NE ARG A 30 3.839 -5.017 4.977 1.00 0.00 N ATOM 431 CZ ARG A 30 4.271 -5.621 3.875 1.00 0.00 C ATOM 432 NH1 ARG A 30 4.423 -4.930 2.753 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.552 -6.917 3.894 1.00 0.00 N ATOM 0 H ARG A 30 -0.600 -5.290 4.546 1.00 0.00 H new ATOM 0 HA ARG A 30 1.579 -5.369 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.206 -2.856 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.554 -2.949 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.793 -4.037 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.017 -2.331 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.195 -3.034 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.645 -3.240 6.063 1.00 0.00 H new ATOM 0 HE ARG A 30 3.734 -5.576 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.208 -3.933 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.755 -5.396 1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.437 -7.451 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.883 -7.379 3.047 1.00 0.00 H new ATOM 447 N CYS A 31 -1.636 -4.695 6.696 1.00 0.00 N ATOM 448 CA CYS A 31 -2.791 -4.669 7.585 1.00 0.00 C ATOM 449 C CYS A 31 -3.706 -5.862 7.324 1.00 0.00 C ATOM 450 O CYS A 31 -4.604 -6.151 8.113 1.00 0.00 O ATOM 451 CB CYS A 31 -3.570 -3.365 7.405 1.00 0.00 C ATOM 452 SG CYS A 31 -4.430 -3.227 5.805 1.00 0.00 S ATOM 0 H CYS A 31 -1.863 -4.586 5.707 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.429 -4.729 8.611 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.302 -3.278 8.208 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.882 -2.526 7.509 1.00 0.00 H new ATOM 457 N GLN A 32 -3.470 -6.548 6.210 1.00 0.00 N ATOM 458 CA GLN A 32 -4.273 -7.709 5.845 1.00 0.00 C ATOM 459 C GLN A 32 -5.759 -7.366 5.850 1.00 0.00 C ATOM 460 O GLN A 32 -6.575 -8.113 6.388 1.00 0.00 O ATOM 461 CB GLN A 32 -4.001 -8.867 6.806 1.00 0.00 C ATOM 462 CG GLN A 32 -2.591 -9.426 6.703 1.00 0.00 C ATOM 463 CD GLN A 32 -1.527 -8.364 6.904 1.00 0.00 C ATOM 464 OE1 GLN A 32 -0.655 -8.176 6.055 1.00 0.00 O ATOM 465 NE2 GLN A 32 -1.593 -7.664 8.030 1.00 0.00 N ATOM 0 H GLN A 32 -2.730 -6.320 5.546 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.992 -8.011 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.175 -8.529 7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.715 -9.667 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.460 -10.212 7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.458 -9.888 5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.333 -7.854 8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.904 -6.936 8.219 1.00 0.00 H new ATOM 474 N GLU A 33 -6.101 -6.232 5.247 1.00 0.00 N ATOM 475 CA GLU A 33 -7.490 -5.790 5.184 1.00 0.00 C ATOM 476 C GLU A 33 -8.115 -6.153 3.840 1.00 0.00 C ATOM 477 O GLU A 33 -7.411 -6.442 2.873 1.00 0.00 O ATOM 478 CB GLU A 33 -7.579 -4.280 5.410 1.00 0.00 C ATOM 479 CG GLU A 33 -7.420 -3.871 6.864 1.00 0.00 C ATOM 480 CD GLU A 33 -7.583 -2.378 7.072 1.00 0.00 C ATOM 481 OE1 GLU A 33 -8.729 -1.928 7.279 1.00 0.00 O ATOM 482 OE2 GLU A 33 -6.563 -1.658 7.027 1.00 0.00 O ATOM 0 H GLU A 33 -5.437 -5.603 4.796 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.043 -6.300 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.809 -3.787 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.542 -3.923 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.156 -4.401 7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.436 -4.178 7.218 1.00 0.00 H new ATOM 489 N SER A 34 -9.444 -6.136 3.789 1.00 0.00 N ATOM 490 CA SER A 34 -10.165 -6.467 2.566 1.00 0.00 C ATOM 491 C SER A 34 -10.043 -5.343 1.542 1.00 0.00 C ATOM 492 O SER A 34 -10.711 -4.314 1.649 1.00 0.00 O ATOM 493 CB SER A 34 -11.640 -6.733 2.875 1.00 0.00 C ATOM 494 OG SER A 34 -12.228 -5.628 3.540 1.00 0.00 O ATOM 0 H SER A 34 -10.042 -5.897 4.580 1.00 0.00 H new ATOM 0 HA SER A 34 -9.721 -7.369 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.179 -6.933 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.730 -7.625 3.495 1.00 0.00 H new ATOM 0 HG SER A 34 -11.979 -4.799 3.080 1.00 0.00 H new ATOM 500 N LEU A 35 -9.185 -5.547 0.549 1.00 0.00 N ATOM 501 CA LEU A 35 -8.973 -4.551 -0.497 1.00 0.00 C ATOM 502 C LEU A 35 -10.080 -4.618 -1.544 1.00 0.00 C ATOM 503 O LEU A 35 -9.826 -4.479 -2.740 1.00 0.00 O ATOM 504 CB LEU A 35 -7.612 -4.763 -1.162 1.00 0.00 C ATOM 505 CG LEU A 35 -6.393 -4.657 -0.245 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.182 -5.314 -0.889 1.00 0.00 C ATOM 507 CD2 LEU A 35 -6.099 -3.200 0.085 1.00 0.00 C ATOM 0 H LEU A 35 -8.624 -6.393 0.445 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.994 -3.564 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.607 -5.749 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.504 -4.032 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.614 -5.182 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.324 -5.229 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.395 -6.367 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.958 -4.818 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.228 -3.143 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.898 -2.652 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.960 -2.760 0.589 1.00 0.00 H new ATOM 519 N GLY A 36 -11.310 -4.829 -1.086 1.00 0.00 N ATOM 520 CA GLY A 36 -12.438 -4.908 -1.996 1.00 0.00 C ATOM 521 C GLY A 36 -12.615 -3.642 -2.810 1.00 0.00 C ATOM 522 O GLY A 36 -12.331 -3.622 -4.008 1.00 0.00 O ATOM 0 H GLY A 36 -11.546 -4.947 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.299 -5.753 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.347 -5.101 -1.427 1.00 0.00 H new ATOM 526 N ARG A 37 -13.088 -2.584 -2.161 1.00 0.00 N ATOM 527 CA ARG A 37 -13.305 -1.309 -2.833 1.00 0.00 C ATOM 528 C ARG A 37 -12.036 -0.844 -3.541 1.00 0.00 C ATOM 529 O ARG A 37 -12.095 -0.253 -4.620 1.00 0.00 O ATOM 530 CB ARG A 37 -13.759 -0.248 -1.828 1.00 0.00 C ATOM 531 CG ARG A 37 -14.481 0.927 -2.467 1.00 0.00 C ATOM 532 CD ARG A 37 -15.347 1.664 -1.458 1.00 0.00 C ATOM 533 NE ARG A 37 -15.811 2.951 -1.971 1.00 0.00 N ATOM 534 CZ ARG A 37 -16.865 3.087 -2.767 1.00 0.00 C ATOM 535 NH1 ARG A 37 -17.562 2.023 -3.139 1.00 0.00 N ATOM 536 NH2 ARG A 37 -17.225 4.292 -3.192 1.00 0.00 N ATOM 0 H ARG A 37 -13.329 -2.584 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.086 -1.450 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.418 -0.713 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.889 0.122 -1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.751 1.615 -2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.102 0.571 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.207 1.046 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.780 1.823 -0.541 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.297 3.791 -1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.289 1.095 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.371 2.132 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.692 5.114 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.035 4.396 -3.803 1.00 0.00 H new ATOM 550 N LEU A 38 -10.890 -1.114 -2.927 1.00 0.00 N ATOM 551 CA LEU A 38 -9.605 -0.723 -3.497 1.00 0.00 C ATOM 552 C LEU A 38 -9.287 -1.548 -4.740 1.00 0.00 C ATOM 553 O LEU A 38 -10.060 -2.423 -5.131 1.00 0.00 O ATOM 554 CB LEU A 38 -8.492 -0.890 -2.461 1.00 0.00 C ATOM 555 CG LEU A 38 -8.379 0.217 -1.412 1.00 0.00 C ATOM 556 CD1 LEU A 38 -7.615 -0.278 -0.194 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.704 1.445 -2.005 1.00 0.00 C ATOM 0 H LEU A 38 -10.824 -1.602 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.668 0.326 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.643 -1.838 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.541 -0.962 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.384 0.496 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.545 0.523 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.139 -1.128 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.613 -0.585 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.632 2.223 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.704 1.180 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.292 1.813 -2.846 1.00 0.00 H new ATOM 569 N SER A 39 -8.143 -1.266 -5.355 1.00 0.00 N ATOM 570 CA SER A 39 -7.724 -1.981 -6.554 1.00 0.00 C ATOM 571 C SER A 39 -6.257 -2.390 -6.458 1.00 0.00 C ATOM 572 O SER A 39 -5.360 -1.555 -6.335 1.00 0.00 O ATOM 573 CB SER A 39 -7.942 -1.113 -7.795 1.00 0.00 C ATOM 574 OG SER A 39 -9.275 -1.219 -8.264 1.00 0.00 O ATOM 0 H SER A 39 -7.490 -0.547 -5.043 1.00 0.00 H new ATOM 0 HA SER A 39 -8.331 -2.883 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.718 -0.073 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.251 -1.417 -8.581 1.00 0.00 H new ATOM 0 HG SER A 39 -9.389 -0.654 -9.056 1.00 0.00 H new ATOM 580 N PRO A 40 -6.005 -3.706 -6.514 1.00 0.00 N ATOM 581 CA PRO A 40 -4.649 -4.257 -6.435 1.00 0.00 C ATOM 582 C PRO A 40 -3.824 -3.947 -7.679 1.00 0.00 C ATOM 583 O PRO A 40 -2.596 -3.893 -7.625 1.00 0.00 O ATOM 584 CB PRO A 40 -4.885 -5.764 -6.312 1.00 0.00 C ATOM 585 CG PRO A 40 -6.215 -5.992 -6.943 1.00 0.00 C ATOM 586 CD PRO A 40 -7.026 -4.758 -6.659 1.00 0.00 C ATOM 0 HA PRO A 40 -4.084 -3.831 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.104 -6.330 -6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.882 -6.081 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.115 -6.155 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.696 -6.879 -6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.719 -4.537 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.622 -4.868 -5.753 1.00 0.00 H new ATOM 594 N LYS A 41 -4.508 -3.743 -8.801 1.00 0.00 N ATOM 595 CA LYS A 41 -3.839 -3.436 -10.059 1.00 0.00 C ATOM 596 C LYS A 41 -2.829 -2.308 -9.878 1.00 0.00 C ATOM 597 O LYS A 41 -1.718 -2.364 -10.406 1.00 0.00 O ATOM 598 CB LYS A 41 -4.867 -3.049 -11.125 1.00 0.00 C ATOM 599 CG LYS A 41 -5.354 -4.223 -11.955 1.00 0.00 C ATOM 600 CD LYS A 41 -4.498 -4.424 -13.195 1.00 0.00 C ATOM 601 CE LYS A 41 -5.043 -3.642 -14.381 1.00 0.00 C ATOM 602 NZ LYS A 41 -4.680 -2.200 -14.308 1.00 0.00 N ATOM 0 H LYS A 41 -5.525 -3.785 -8.864 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.305 -4.328 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.722 -2.579 -10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.427 -2.304 -11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.337 -5.129 -11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.390 -4.056 -12.250 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.476 -4.108 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.459 -5.485 -13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.655 -4.068 -15.306 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.128 -3.742 -14.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.775 -1.770 -15.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.314 -1.716 -13.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.697 -2.106 -13.982 1.00 0.00 H new ATOM 616 N THR A 42 -3.221 -1.283 -9.127 1.00 0.00 N ATOM 617 CA THR A 42 -2.350 -0.142 -8.876 1.00 0.00 C ATOM 618 C THR A 42 -1.833 -0.150 -7.441 1.00 0.00 C ATOM 619 O THR A 42 -0.798 0.444 -7.142 1.00 0.00 O ATOM 620 CB THR A 42 -3.078 1.189 -9.139 1.00 0.00 C ATOM 621 OG1 THR A 42 -4.232 1.291 -8.298 1.00 0.00 O ATOM 622 CG2 THR A 42 -3.496 1.298 -10.598 1.00 0.00 C ATOM 0 H THR A 42 -4.137 -1.220 -8.682 1.00 0.00 H new ATOM 0 HA THR A 42 -1.509 -0.230 -9.563 1.00 0.00 H new ATOM 0 HB THR A 42 -2.391 2.004 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.688 2.141 -8.470 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.008 2.246 -10.760 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.612 1.250 -11.234 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.167 0.476 -10.847 1.00 0.00 H new ATOM 630 N ASN A 43 -2.560 -0.828 -6.559 1.00 0.00 N ATOM 631 CA ASN A 43 -2.174 -0.913 -5.155 1.00 0.00 C ATOM 632 C ASN A 43 -1.068 -1.945 -4.957 1.00 0.00 C ATOM 633 O ASN A 43 -1.093 -2.725 -4.004 1.00 0.00 O ATOM 634 CB ASN A 43 -3.385 -1.275 -4.293 1.00 0.00 C ATOM 635 CG ASN A 43 -4.334 -0.107 -4.109 1.00 0.00 C ATOM 636 OD1 ASN A 43 -5.428 -0.340 -3.393 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -4.085 0.993 -4.603 1.00 0.00 N flip ATOM 0 H ASN A 43 -3.419 -1.326 -6.791 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.796 0.062 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.920 -2.105 -4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.043 -1.619 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.232 1.127 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.732 1.770 -4.469 1.00 0.00 H new ATOM 644 N THR A 44 -0.095 -1.943 -5.864 1.00 0.00 N ATOM 645 CA THR A 44 1.020 -2.879 -5.790 1.00 0.00 C ATOM 646 C THR A 44 2.332 -2.150 -5.526 1.00 0.00 C ATOM 647 O THR A 44 2.796 -1.364 -6.354 1.00 0.00 O ATOM 648 CB THR A 44 1.153 -3.698 -7.088 1.00 0.00 C ATOM 649 OG1 THR A 44 -0.048 -4.441 -7.324 1.00 0.00 O ATOM 650 CG2 THR A 44 2.337 -4.651 -7.007 1.00 0.00 C ATOM 0 H THR A 44 -0.057 -1.304 -6.658 1.00 0.00 H new ATOM 0 HA THR A 44 0.810 -3.556 -4.962 1.00 0.00 H new ATOM 0 HB THR A 44 1.319 -3.006 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.805 -3.823 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.411 -5.219 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.254 -4.081 -6.856 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.195 -5.337 -6.172 1.00 0.00 H new ATOM 658 N CYS A 45 2.928 -2.414 -4.368 1.00 0.00 N ATOM 659 CA CYS A 45 4.188 -1.784 -3.994 1.00 0.00 C ATOM 660 C CYS A 45 5.284 -2.117 -5.003 1.00 0.00 C ATOM 661 O CYS A 45 5.706 -3.268 -5.119 1.00 0.00 O ATOM 662 CB CYS A 45 4.613 -2.235 -2.595 1.00 0.00 C ATOM 663 SG CYS A 45 6.290 -1.704 -2.120 1.00 0.00 S ATOM 0 H CYS A 45 2.558 -3.061 -3.672 1.00 0.00 H new ATOM 0 HA CYS A 45 4.038 -0.704 -3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.901 -1.846 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.560 -3.322 -2.544 1.00 0.00 H new ATOM 668 N ARG A 46 5.740 -1.102 -5.730 1.00 0.00 N ATOM 669 CA ARG A 46 6.785 -1.287 -6.729 1.00 0.00 C ATOM 670 C ARG A 46 8.066 -1.810 -6.086 1.00 0.00 C ATOM 671 O ARG A 46 8.943 -2.339 -6.767 1.00 0.00 O ATOM 672 CB ARG A 46 7.067 0.030 -7.454 1.00 0.00 C ATOM 673 CG ARG A 46 5.823 0.685 -8.033 1.00 0.00 C ATOM 674 CD ARG A 46 6.167 1.603 -9.195 1.00 0.00 C ATOM 675 NE ARG A 46 5.219 2.708 -9.319 1.00 0.00 N ATOM 676 CZ ARG A 46 3.990 2.570 -9.804 1.00 0.00 C ATOM 677 NH1 ARG A 46 3.562 1.382 -10.208 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.186 3.622 -9.886 1.00 0.00 N ATOM 0 H ARG A 46 5.402 -0.143 -5.646 1.00 0.00 H new ATOM 0 HA ARG A 46 6.434 -2.024 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.542 0.723 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.779 -0.153 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.128 -0.085 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.315 1.255 -7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.172 2.001 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.176 1.028 -10.121 1.00 0.00 H new ATOM 0 HE ARG A 46 5.517 3.636 -9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.177 0.571 -10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.618 1.279 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.511 4.538 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.243 3.515 -10.259 1.00 0.00 H new ATOM 692 N GLY A 47 8.166 -1.658 -4.769 1.00 0.00 N ATOM 693 CA GLY A 47 9.342 -2.119 -4.056 1.00 0.00 C ATOM 694 C GLY A 47 9.386 -3.629 -3.925 1.00 0.00 C ATOM 695 O GLY A 47 10.280 -4.280 -4.466 1.00 0.00 O ATOM 0 H GLY A 47 7.453 -1.224 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.236 -1.776 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.360 -1.671 -3.063 1.00 0.00 H new ATOM 699 N CYS A 48 8.420 -4.187 -3.203 1.00 0.00 N ATOM 700 CA CYS A 48 8.353 -5.629 -3.000 1.00 0.00 C ATOM 701 C CYS A 48 7.239 -6.245 -3.842 1.00 0.00 C ATOM 702 O CYS A 48 6.766 -7.344 -3.555 1.00 0.00 O ATOM 703 CB CYS A 48 8.124 -5.947 -1.521 1.00 0.00 C ATOM 704 SG CYS A 48 6.745 -5.026 -0.767 1.00 0.00 S ATOM 0 H CYS A 48 7.673 -3.662 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 48 9.304 -6.060 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.934 -7.015 -1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.038 -5.729 -0.968 1.00 0.00 H new ATOM 709 N ASN A 49 6.825 -5.528 -4.882 1.00 0.00 N ATOM 710 CA ASN A 49 5.767 -6.004 -5.766 1.00 0.00 C ATOM 711 C ASN A 49 4.702 -6.762 -4.980 1.00 0.00 C ATOM 712 O ASN A 49 4.226 -7.813 -5.411 1.00 0.00 O ATOM 713 CB ASN A 49 6.351 -6.906 -6.855 1.00 0.00 C ATOM 714 CG ASN A 49 6.999 -6.115 -7.975 1.00 0.00 C ATOM 715 OD1 ASN A 49 6.896 -4.889 -8.024 1.00 0.00 O ATOM 716 ND2 ASN A 49 7.669 -6.815 -8.883 1.00 0.00 N ATOM 0 H ASN A 49 7.206 -4.616 -5.133 1.00 0.00 H new ATOM 0 HA ASN A 49 5.301 -5.137 -6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.089 -7.575 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.560 -7.533 -7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.124 -6.338 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.728 -7.830 -8.803 1.00 0.00 H new ATOM 723 N HIS A 50 4.330 -6.220 -3.824 1.00 0.00 N ATOM 724 CA HIS A 50 3.319 -6.844 -2.978 1.00 0.00 C ATOM 725 C HIS A 50 1.988 -6.106 -3.087 1.00 0.00 C ATOM 726 O HIS A 50 1.858 -5.149 -3.851 1.00 0.00 O ATOM 727 CB HIS A 50 3.785 -6.866 -1.522 1.00 0.00 C ATOM 728 CG HIS A 50 4.559 -8.096 -1.159 1.00 0.00 C ATOM 729 ND1 HIS A 50 4.226 -9.355 -1.612 1.00 0.00 N ATOM 730 CD2 HIS A 50 5.656 -8.255 -0.383 1.00 0.00 C ATOM 731 CE1 HIS A 50 5.085 -10.236 -1.129 1.00 0.00 C ATOM 732 NE2 HIS A 50 5.963 -9.594 -0.380 1.00 0.00 N ATOM 0 H HIS A 50 4.713 -5.351 -3.452 1.00 0.00 H new ATOM 0 HA HIS A 50 3.176 -7.868 -3.322 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.404 -5.989 -1.334 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.915 -6.788 -0.870 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.191 -7.474 0.137 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.071 -11.300 -1.315 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.742 -10.023 0.119 1.00 0.00 H new ATOM 740 N LEU A 51 1.002 -6.557 -2.319 1.00 0.00 N ATOM 741 CA LEU A 51 -0.320 -5.940 -2.330 1.00 0.00 C ATOM 742 C LEU A 51 -0.591 -5.212 -1.018 1.00 0.00 C ATOM 743 O LEU A 51 -0.652 -5.828 0.046 1.00 0.00 O ATOM 744 CB LEU A 51 -1.397 -7.000 -2.570 1.00 0.00 C ATOM 745 CG LEU A 51 -2.840 -6.554 -2.336 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.184 -5.367 -3.221 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.802 -7.706 -2.589 1.00 0.00 C ATOM 0 H LEU A 51 1.093 -7.348 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.348 -5.212 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.309 -7.353 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.191 -7.852 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.939 -6.245 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.215 -5.065 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.517 -4.536 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.067 -5.648 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.825 -7.370 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.700 -8.046 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.572 -8.528 -1.911 1.00 0.00 H new ATOM 759 N VAL A 52 -0.756 -3.895 -1.101 1.00 0.00 N ATOM 760 CA VAL A 52 -1.024 -3.082 0.079 1.00 0.00 C ATOM 761 C VAL A 52 -2.033 -1.982 -0.230 1.00 0.00 C ATOM 762 O VAL A 52 -2.083 -1.465 -1.347 1.00 0.00 O ATOM 763 CB VAL A 52 0.266 -2.442 0.625 1.00 0.00 C ATOM 764 CG1 VAL A 52 0.967 -3.391 1.585 1.00 0.00 C ATOM 765 CG2 VAL A 52 1.189 -2.048 -0.518 1.00 0.00 C ATOM 0 H VAL A 52 -0.709 -3.369 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.438 -3.749 0.836 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.000 -1.539 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.876 -2.922 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.304 -3.619 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.223 -4.313 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.096 -1.597 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.451 -2.934 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.683 -1.330 -1.163 1.00 0.00 H new ATOM 775 N CYS A 53 -2.836 -1.626 0.767 1.00 0.00 N ATOM 776 CA CYS A 53 -3.845 -0.586 0.604 1.00 0.00 C ATOM 777 C CYS A 53 -3.192 0.779 0.409 1.00 0.00 C ATOM 778 O CYS A 53 -1.969 0.909 0.472 1.00 0.00 O ATOM 779 CB CYS A 53 -4.773 -0.551 1.819 1.00 0.00 C ATOM 780 SG CYS A 53 -3.947 -0.078 3.372 1.00 0.00 S ATOM 0 H CYS A 53 -2.807 -2.043 1.697 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.431 -0.819 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.584 0.150 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.226 -1.534 1.946 1.00 0.00 H new ATOM 785 N ARG A 54 -4.016 1.795 0.173 1.00 0.00 N ATOM 786 CA ARG A 54 -3.519 3.150 -0.031 1.00 0.00 C ATOM 787 C ARG A 54 -3.236 3.833 1.304 1.00 0.00 C ATOM 788 O ARG A 54 -3.044 5.047 1.363 1.00 0.00 O ATOM 789 CB ARG A 54 -4.532 3.972 -0.831 1.00 0.00 C ATOM 790 CG ARG A 54 -5.792 4.311 -0.053 1.00 0.00 C ATOM 791 CD ARG A 54 -6.325 5.685 -0.426 1.00 0.00 C ATOM 792 NE ARG A 54 -7.266 5.623 -1.542 1.00 0.00 N ATOM 793 CZ ARG A 54 -8.551 5.317 -1.403 1.00 0.00 C ATOM 794 NH1 ARG A 54 -9.046 5.047 -0.203 1.00 0.00 N ATOM 795 NH2 ARG A 54 -9.345 5.281 -2.466 1.00 0.00 N ATOM 0 H ARG A 54 -5.031 1.705 0.118 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.587 3.087 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.058 4.897 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.808 3.419 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.555 3.558 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.580 4.280 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.817 6.130 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.493 6.337 -0.690 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.917 5.826 -2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.440 5.074 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.033 4.812 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.969 5.488 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.332 5.046 -2.358 1.00 0.00 H new ATOM 809 N ASP A 55 -3.212 3.044 2.372 1.00 0.00 N ATOM 810 CA ASP A 55 -2.951 3.571 3.706 1.00 0.00 C ATOM 811 C ASP A 55 -1.627 3.044 4.250 1.00 0.00 C ATOM 812 O ASP A 55 -0.967 3.703 5.054 1.00 0.00 O ATOM 813 CB ASP A 55 -4.091 3.200 4.656 1.00 0.00 C ATOM 814 CG ASP A 55 -4.244 4.191 5.793 1.00 0.00 C ATOM 815 OD1 ASP A 55 -4.819 5.275 5.561 1.00 0.00 O ATOM 816 OD2 ASP A 55 -3.788 3.884 6.914 1.00 0.00 O ATOM 0 H ASP A 55 -3.370 2.037 2.340 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.887 4.657 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.024 3.148 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.909 2.207 5.066 1.00 0.00 H new ATOM 821 N CYS A 56 -1.244 1.851 3.807 1.00 0.00 N ATOM 822 CA CYS A 56 0.000 1.234 4.249 1.00 0.00 C ATOM 823 C CYS A 56 1.131 1.525 3.267 1.00 0.00 C ATOM 824 O CYS A 56 2.160 0.848 3.271 1.00 0.00 O ATOM 825 CB CYS A 56 -0.182 -0.278 4.401 1.00 0.00 C ATOM 826 SG CYS A 56 -1.279 -0.761 5.773 1.00 0.00 S ATOM 0 H CYS A 56 -1.778 1.292 3.142 1.00 0.00 H new ATOM 0 HA CYS A 56 0.264 1.661 5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.583 -0.680 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.795 -0.737 4.552 1.00 0.00 H new ATOM 831 N ARG A 57 0.933 2.536 2.428 1.00 0.00 N ATOM 832 CA ARG A 57 1.935 2.917 1.440 1.00 0.00 C ATOM 833 C ARG A 57 2.310 4.389 1.585 1.00 0.00 C ATOM 834 O ARG A 57 1.569 5.172 2.179 1.00 0.00 O ATOM 835 CB ARG A 57 1.416 2.648 0.026 1.00 0.00 C ATOM 836 CG ARG A 57 -0.058 2.971 -0.153 1.00 0.00 C ATOM 837 CD ARG A 57 -0.271 4.441 -0.482 1.00 0.00 C ATOM 838 NE ARG A 57 0.431 4.835 -1.701 1.00 0.00 N ATOM 839 CZ ARG A 57 0.164 5.948 -2.375 1.00 0.00 C ATOM 840 NH1 ARG A 57 -0.784 6.772 -1.951 1.00 0.00 N ATOM 841 NH2 ARG A 57 0.846 6.238 -3.475 1.00 0.00 N ATOM 0 H ARG A 57 0.087 3.106 2.413 1.00 0.00 H new ATOM 0 HA ARG A 57 2.827 2.315 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.997 3.237 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.582 1.599 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.472 2.355 -0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.600 2.719 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.337 4.636 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.076 5.053 0.350 1.00 0.00 H new ATOM 0 HE ARG A 57 1.166 4.222 -2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.310 6.552 -1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.987 7.626 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.576 5.606 -3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.640 7.093 -3.992 1.00 0.00 H new ATOM 855 N ILE A 58 3.464 4.757 1.039 1.00 0.00 N ATOM 856 CA ILE A 58 3.936 6.134 1.107 1.00 0.00 C ATOM 857 C ILE A 58 4.379 6.632 -0.265 1.00 0.00 C ATOM 858 O ILE A 58 5.485 6.336 -0.715 1.00 0.00 O ATOM 859 CB ILE A 58 5.107 6.280 2.096 1.00 0.00 C ATOM 860 CG1 ILE A 58 4.647 5.948 3.517 1.00 0.00 C ATOM 861 CG2 ILE A 58 5.681 7.687 2.034 1.00 0.00 C ATOM 862 CD1 ILE A 58 4.850 4.497 3.894 1.00 0.00 C ATOM 0 H ILE A 58 4.089 4.121 0.545 1.00 0.00 H new ATOM 0 HA ILE A 58 3.098 6.737 1.457 1.00 0.00 H new ATOM 0 HB ILE A 58 5.891 5.577 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.189 6.578 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.590 6.196 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.508 7.774 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.041 7.889 1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.906 8.408 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.502 4.334 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.285 3.861 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.909 4.249 3.828 1.00 0.00 H new ATOM 874 N GLN A 59 3.508 7.390 -0.923 1.00 0.00 N ATOM 875 CA GLN A 59 3.810 7.930 -2.243 1.00 0.00 C ATOM 876 C GLN A 59 5.072 8.786 -2.205 1.00 0.00 C ATOM 877 O GLN A 59 5.340 9.470 -1.218 1.00 0.00 O ATOM 878 CB GLN A 59 2.633 8.759 -2.760 1.00 0.00 C ATOM 879 CG GLN A 59 2.497 10.113 -2.081 1.00 0.00 C ATOM 880 CD GLN A 59 1.801 10.024 -0.737 1.00 0.00 C ATOM 881 OE1 GLN A 59 2.562 9.708 0.304 1.00 0.00 O flip ATOM 882 NE2 GLN A 59 0.593 10.237 -0.636 1.00 0.00 N flip ATOM 0 H GLN A 59 2.588 7.644 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 59 3.981 7.093 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.750 8.910 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.711 8.195 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.487 10.548 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.939 10.787 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.047 10.477 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.138 10.174 0.275 1.00 0.00 H new ATOM 891 N GLU A 60 5.844 8.741 -3.287 1.00 0.00 N ATOM 892 CA GLU A 60 7.079 9.512 -3.376 1.00 0.00 C ATOM 893 C GLU A 60 6.965 10.601 -4.438 1.00 0.00 C ATOM 894 O GLU A 60 5.897 10.815 -5.010 1.00 0.00 O ATOM 895 CB GLU A 60 8.258 8.592 -3.698 1.00 0.00 C ATOM 896 CG GLU A 60 8.718 7.755 -2.516 1.00 0.00 C ATOM 897 CD GLU A 60 10.202 7.445 -2.562 1.00 0.00 C ATOM 898 OE1 GLU A 60 10.701 7.091 -3.651 1.00 0.00 O ATOM 899 OE2 GLU A 60 10.864 7.558 -1.509 1.00 0.00 O ATOM 0 H GLU A 60 5.636 8.180 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 60 7.251 9.987 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.977 7.928 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.093 9.196 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.490 8.284 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.156 6.821 -2.496 1.00 0.00 H new ATOM 906 N SER A 61 8.074 11.288 -4.694 1.00 0.00 N ATOM 907 CA SER A 61 8.098 12.359 -5.683 1.00 0.00 C ATOM 908 C SER A 61 8.595 11.843 -7.030 1.00 0.00 C ATOM 909 O SER A 61 8.500 12.532 -8.045 1.00 0.00 O ATOM 910 CB SER A 61 8.990 13.505 -5.203 1.00 0.00 C ATOM 911 OG SER A 61 9.197 14.456 -6.233 1.00 0.00 O ATOM 0 H SER A 61 8.967 11.122 -4.230 1.00 0.00 H new ATOM 0 HA SER A 61 7.080 12.728 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.531 13.991 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.950 13.109 -4.871 1.00 0.00 H new ATOM 0 HG SER A 61 8.879 14.090 -7.085 1.00 0.00 H new ATOM 917 N ASN A 62 9.127 10.624 -7.031 1.00 0.00 N ATOM 918 CA ASN A 62 9.640 10.015 -8.252 1.00 0.00 C ATOM 919 C ASN A 62 8.548 9.222 -8.965 1.00 0.00 C ATOM 920 O ASN A 62 8.813 8.180 -9.563 1.00 0.00 O ATOM 921 CB ASN A 62 10.823 9.099 -7.931 1.00 0.00 C ATOM 922 CG ASN A 62 11.832 9.040 -9.062 1.00 0.00 C ATOM 923 OD1 ASN A 62 12.998 9.393 -8.887 1.00 0.00 O ATOM 924 ND2 ASN A 62 11.386 8.593 -10.230 1.00 0.00 N ATOM 0 H ASN A 62 9.214 10.039 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 62 9.976 10.814 -8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.317 9.451 -7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.455 8.094 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.019 8.532 -11.028 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.411 8.311 -10.329 1.00 0.00 H new ATOM 931 N GLY A 63 7.319 9.725 -8.897 1.00 0.00 N ATOM 932 CA GLY A 63 6.206 9.053 -9.540 1.00 0.00 C ATOM 933 C GLY A 63 6.083 7.602 -9.118 1.00 0.00 C ATOM 934 O GLY A 63 5.635 6.757 -9.894 1.00 0.00 O ATOM 0 H GLY A 63 7.075 10.586 -8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.281 9.578 -9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.330 9.104 -10.622 1.00 0.00 H new ATOM 938 N THR A 64 6.483 7.310 -7.884 1.00 0.00 N ATOM 939 CA THR A 64 6.418 5.952 -7.361 1.00 0.00 C ATOM 940 C THR A 64 5.944 5.943 -5.912 1.00 0.00 C ATOM 941 O THR A 64 5.626 6.989 -5.347 1.00 0.00 O ATOM 942 CB THR A 64 7.786 5.251 -7.447 1.00 0.00 C ATOM 943 OG1 THR A 64 8.765 5.996 -6.715 1.00 0.00 O ATOM 944 CG2 THR A 64 8.230 5.105 -8.894 1.00 0.00 C ATOM 0 H THR A 64 6.856 7.997 -7.228 1.00 0.00 H new ATOM 0 HA THR A 64 5.701 5.410 -7.978 1.00 0.00 H new ATOM 0 HB THR A 64 7.687 4.256 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.632 5.543 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.199 4.607 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.497 4.512 -9.441 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.312 6.091 -9.351 1.00 0.00 H new ATOM 952 N TRP A 65 5.901 4.757 -5.316 1.00 0.00 N ATOM 953 CA TRP A 65 5.467 4.613 -3.931 1.00 0.00 C ATOM 954 C TRP A 65 5.834 3.237 -3.386 1.00 0.00 C ATOM 955 O TRP A 65 5.937 2.268 -4.139 1.00 0.00 O ATOM 956 CB TRP A 65 3.957 4.831 -3.823 1.00 0.00 C ATOM 957 CG TRP A 65 3.152 3.733 -4.449 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.622 3.719 -5.708 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.783 2.489 -3.843 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.947 2.542 -5.921 1.00 0.00 N ATOM 961 CE2 TRP A 65 2.031 1.770 -4.793 1.00 0.00 C ATOM 962 CE3 TRP A 65 3.016 1.912 -2.592 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.512 0.505 -4.528 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.500 0.657 -2.331 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.755 -0.036 -3.295 1.00 0.00 C ATOM 0 H TRP A 65 6.161 3.881 -5.770 1.00 0.00 H new ATOM 0 HA TRP A 65 5.980 5.368 -3.335 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.684 4.918 -2.771 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.699 5.777 -4.298 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.719 4.516 -6.430 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.462 2.285 -6.780 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.589 2.437 -1.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.938 -0.030 -5.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.674 0.202 -1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.365 -1.016 -3.060 1.00 0.00 H new ATOM 976 N ARG A 66 6.031 3.158 -2.074 1.00 0.00 N ATOM 977 CA ARG A 66 6.389 1.901 -1.429 1.00 0.00 C ATOM 978 C ARG A 66 5.609 1.715 -0.130 1.00 0.00 C ATOM 979 O ARG A 66 5.064 2.672 0.421 1.00 0.00 O ATOM 980 CB ARG A 66 7.891 1.857 -1.145 1.00 0.00 C ATOM 981 CG ARG A 66 8.712 1.292 -2.293 1.00 0.00 C ATOM 982 CD ARG A 66 10.199 1.537 -2.089 1.00 0.00 C ATOM 983 NE ARG A 66 10.586 2.896 -2.460 1.00 0.00 N ATOM 984 CZ ARG A 66 11.660 3.511 -1.979 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.450 2.893 -1.112 1.00 0.00 N ATOM 986 NH2 ARG A 66 11.946 4.748 -2.365 1.00 0.00 N ATOM 0 H ARG A 66 5.949 3.950 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 66 6.131 1.088 -2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.240 2.865 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.066 1.255 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.527 0.221 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.392 1.749 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.456 1.359 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.769 0.823 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 66 9.999 3.400 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.234 1.942 -0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.274 3.368 -0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.341 5.227 -3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.771 5.220 -1.995 1.00 0.00 H new ATOM 1000 N CYS A 67 5.560 0.478 0.353 1.00 0.00 N ATOM 1001 CA CYS A 67 4.847 0.166 1.585 1.00 0.00 C ATOM 1002 C CYS A 67 5.583 0.731 2.797 1.00 0.00 C ATOM 1003 O CYS A 67 6.789 0.975 2.748 1.00 0.00 O ATOM 1004 CB CYS A 67 4.683 -1.348 1.735 1.00 0.00 C ATOM 1005 SG CYS A 67 6.257 -2.259 1.842 1.00 0.00 S ATOM 0 H CYS A 67 6.006 -0.325 -0.091 1.00 0.00 H new ATOM 0 HA CYS A 67 3.861 0.628 1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.096 -1.552 2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.113 -1.727 0.887 1.00 0.00 H new ATOM 1010 N LYS A 68 4.848 0.936 3.885 1.00 0.00 N ATOM 1011 CA LYS A 68 5.429 1.470 5.111 1.00 0.00 C ATOM 1012 C LYS A 68 6.746 0.773 5.439 1.00 0.00 C ATOM 1013 O LYS A 68 7.736 1.422 5.775 1.00 0.00 O ATOM 1014 CB LYS A 68 4.450 1.308 6.276 1.00 0.00 C ATOM 1015 CG LYS A 68 3.073 1.886 5.999 1.00 0.00 C ATOM 1016 CD LYS A 68 2.405 2.372 7.274 1.00 0.00 C ATOM 1017 CE LYS A 68 2.813 3.799 7.609 1.00 0.00 C ATOM 1018 NZ LYS A 68 4.191 3.864 8.172 1.00 0.00 N ATOM 0 H LYS A 68 3.849 0.740 3.943 1.00 0.00 H new ATOM 0 HA LYS A 68 5.629 2.530 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.349 0.248 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.867 1.792 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.160 2.713 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.448 1.129 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.322 2.319 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.672 1.713 8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.759 4.413 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.108 4.220 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.285 4.716 8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.369 3.020 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.882 3.902 7.396 1.00 0.00 H new ATOM 1032 N VAL A 69 6.749 -0.552 5.337 1.00 0.00 N ATOM 1033 CA VAL A 69 7.945 -1.338 5.620 1.00 0.00 C ATOM 1034 C VAL A 69 9.082 -0.968 4.674 1.00 0.00 C ATOM 1035 O VAL A 69 10.247 -0.934 5.070 1.00 0.00 O ATOM 1036 CB VAL A 69 7.665 -2.848 5.504 1.00 0.00 C ATOM 1037 CG1 VAL A 69 8.914 -3.649 5.838 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.508 -3.246 6.408 1.00 0.00 C ATOM 0 H VAL A 69 5.937 -1.104 5.061 1.00 0.00 H new ATOM 0 HA VAL A 69 8.240 -1.109 6.644 1.00 0.00 H new ATOM 0 HB VAL A 69 7.384 -3.070 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.698 -4.714 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.713 -3.383 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.228 -3.425 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.324 -4.316 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.757 -3.011 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.613 -2.697 6.116 1.00 0.00 H new ATOM 1048 N CYS A 70 8.735 -0.691 3.422 1.00 0.00 N ATOM 1049 CA CYS A 70 9.726 -0.323 2.417 1.00 0.00 C ATOM 1050 C CYS A 70 10.186 1.119 2.609 1.00 0.00 C ATOM 1051 O CYS A 70 11.352 1.374 2.910 1.00 0.00 O ATOM 1052 CB CYS A 70 9.148 -0.502 1.012 1.00 0.00 C ATOM 1053 SG CYS A 70 9.338 -2.185 0.339 1.00 0.00 S ATOM 0 H CYS A 70 7.775 -0.714 3.079 1.00 0.00 H new ATOM 0 HA CYS A 70 10.588 -0.980 2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.088 -0.247 1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.633 0.204 0.338 1.00 0.00 H new ATOM 1058 N SER A 71 9.261 2.058 2.435 1.00 0.00 N ATOM 1059 CA SER A 71 9.573 3.475 2.585 1.00 0.00 C ATOM 1060 C SER A 71 10.057 3.777 4.000 1.00 0.00 C ATOM 1061 O SER A 71 11.023 4.513 4.194 1.00 0.00 O ATOM 1062 CB SER A 71 8.343 4.325 2.262 1.00 0.00 C ATOM 1063 OG SER A 71 8.720 5.599 1.767 1.00 0.00 O ATOM 0 H SER A 71 8.290 1.863 2.190 1.00 0.00 H new ATOM 0 HA SER A 71 10.372 3.723 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.726 3.812 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.734 4.445 3.158 1.00 0.00 H new ATOM 0 HG SER A 71 7.971 6.223 1.866 1.00 0.00 H new ATOM 1069 N GLY A 72 9.377 3.202 4.988 1.00 0.00 N ATOM 1070 CA GLY A 72 9.751 3.421 6.372 1.00 0.00 C ATOM 1071 C GLY A 72 11.039 2.713 6.744 1.00 0.00 C ATOM 1072 O GLY A 72 11.929 2.521 5.915 1.00 0.00 O ATOM 0 H GLY A 72 8.573 2.588 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.864 4.490 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.948 3.073 7.022 1.00 0.00 H new ATOM 1076 N PRO A 73 11.151 2.311 8.019 1.00 0.00 N ATOM 1077 CA PRO A 73 12.337 1.615 8.528 1.00 0.00 C ATOM 1078 C PRO A 73 12.463 0.201 7.969 1.00 0.00 C ATOM 1079 O PRO A 73 11.859 -0.738 8.486 1.00 0.00 O ATOM 1080 CB PRO A 73 12.101 1.572 10.040 1.00 0.00 C ATOM 1081 CG PRO A 73 10.622 1.649 10.195 1.00 0.00 C ATOM 1082 CD PRO A 73 10.130 2.505 9.061 1.00 0.00 C ATOM 0 HA PRO A 73 13.260 2.118 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.498 0.655 10.477 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.595 2.404 10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.174 0.656 10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.353 2.084 11.157 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.143 2.192 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.049 3.552 9.354 1.00 0.00 H new ATOM 1090 N SER A 74 13.253 0.058 6.909 1.00 0.00 N ATOM 1091 CA SER A 74 13.457 -1.241 6.278 1.00 0.00 C ATOM 1092 C SER A 74 13.975 -2.261 7.288 1.00 0.00 C ATOM 1093 O SER A 74 13.375 -3.317 7.484 1.00 0.00 O ATOM 1094 CB SER A 74 14.439 -1.117 5.112 1.00 0.00 C ATOM 1095 OG SER A 74 15.664 -0.545 5.535 1.00 0.00 O ATOM 0 H SER A 74 13.762 0.825 6.470 1.00 0.00 H new ATOM 0 HA SER A 74 12.496 -1.587 5.899 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.623 -2.101 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.999 -0.503 4.326 1.00 0.00 H new ATOM 0 HG SER A 74 16.275 -0.478 4.772 1.00 0.00 H new ATOM 1101 N SER A 75 15.095 -1.935 7.926 1.00 0.00 N ATOM 1102 CA SER A 75 15.698 -2.823 8.913 1.00 0.00 C ATOM 1103 C SER A 75 16.231 -2.031 10.103 1.00 0.00 C ATOM 1104 O SER A 75 16.653 -0.884 9.960 1.00 0.00 O ATOM 1105 CB SER A 75 16.829 -3.634 8.277 1.00 0.00 C ATOM 1106 OG SER A 75 17.880 -2.789 7.842 1.00 0.00 O ATOM 0 H SER A 75 15.603 -1.063 7.777 1.00 0.00 H new ATOM 0 HA SER A 75 14.927 -3.506 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.213 -4.356 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.442 -4.203 7.432 1.00 0.00 H new ATOM 0 HG SER A 75 18.591 -3.331 7.441 1.00 0.00 H new ATOM 1112 N GLY A 76 16.208 -2.653 11.278 1.00 0.00 N ATOM 1113 CA GLY A 76 16.691 -1.992 12.476 1.00 0.00 C ATOM 1114 C GLY A 76 16.005 -0.662 12.722 1.00 0.00 C ATOM 1115 O GLY A 76 14.851 -0.502 12.327 1.00 0.00 O ATOM 0 H GLY A 76 15.864 -3.602 11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.533 -2.643 13.335 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.766 -1.833 12.391 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -3.029 -1.816 4.600 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 7.180 -2.799 -0.268 1.00 0.00 ZN