USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 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 Set 1.1: A 62 ASN : amide:sc= -2.17! C(o=-1.1!,f=-11!) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0764 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.849 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 3:sc= 1.19 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.297) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 177:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.22) USER MOD Single : A 23 TYR OH : rot -128:sc= 0.987 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= -5.44! K(o=-5.4!,f=-2.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.8! C(o=-4.8!,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot 97:sc= 0.745 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-0.22) USER MOD Single : A 59 GLN : amide:sc= -2.24! C(o=-2.2!,f=-9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 150:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc=-0.00937 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.609 -62.983 10.523 1.00 0.00 N ATOM 2 CA GLY A 1 17.216 -62.579 10.549 1.00 0.00 C ATOM 3 C GLY A 1 16.871 -61.614 9.431 1.00 0.00 C ATOM 4 O GLY A 1 17.646 -61.440 8.491 1.00 0.00 O ATOM 0 H1 GLY A 1 18.669 -64.021 10.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.070 -62.585 9.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.088 -62.633 11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.583 -63.463 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.994 -62.113 11.509 1.00 0.00 H new ATOM 8 N SER A 2 15.703 -60.988 9.532 1.00 0.00 N ATOM 9 CA SER A 2 15.254 -60.040 8.518 1.00 0.00 C ATOM 10 C SER A 2 13.950 -59.370 8.941 1.00 0.00 C ATOM 11 O SER A 2 13.243 -59.862 9.820 1.00 0.00 O ATOM 12 CB SER A 2 15.065 -60.748 7.176 1.00 0.00 C ATOM 13 OG SER A 2 14.184 -61.852 7.300 1.00 0.00 O ATOM 0 H SER A 2 15.051 -61.120 10.305 1.00 0.00 H new ATOM 0 HA SER A 2 16.019 -59.271 8.410 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.670 -60.045 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.030 -61.090 6.803 1.00 0.00 H new ATOM 0 HG SER A 2 14.079 -62.286 6.428 1.00 0.00 H new ATOM 19 N SER A 3 13.639 -58.244 8.307 1.00 0.00 N ATOM 20 CA SER A 3 12.422 -57.502 8.619 1.00 0.00 C ATOM 21 C SER A 3 12.090 -56.511 7.508 1.00 0.00 C ATOM 22 O SER A 3 12.837 -56.374 6.540 1.00 0.00 O ATOM 23 CB SER A 3 12.577 -56.762 9.949 1.00 0.00 C ATOM 24 OG SER A 3 12.177 -57.578 11.036 1.00 0.00 O ATOM 0 H SER A 3 14.212 -57.825 7.575 1.00 0.00 H new ATOM 0 HA SER A 3 11.602 -58.216 8.702 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.616 -56.458 10.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.978 -55.851 9.934 1.00 0.00 H new ATOM 0 HG SER A 3 12.443 -58.505 10.864 1.00 0.00 H new ATOM 30 N GLY A 4 10.964 -55.821 7.656 1.00 0.00 N ATOM 31 CA GLY A 4 10.551 -54.851 6.659 1.00 0.00 C ATOM 32 C GLY A 4 9.597 -53.814 7.218 1.00 0.00 C ATOM 33 O GLY A 4 9.453 -53.685 8.434 1.00 0.00 O ATOM 0 H GLY A 4 10.330 -55.916 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.432 -54.350 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.073 -55.370 5.828 1.00 0.00 H new ATOM 37 N SER A 5 8.945 -53.072 6.329 1.00 0.00 N ATOM 38 CA SER A 5 8.004 -52.037 6.741 1.00 0.00 C ATOM 39 C SER A 5 7.269 -51.460 5.535 1.00 0.00 C ATOM 40 O SER A 5 7.675 -51.663 4.391 1.00 0.00 O ATOM 41 CB SER A 5 8.735 -50.921 7.488 1.00 0.00 C ATOM 42 OG SER A 5 9.634 -50.237 6.632 1.00 0.00 O ATOM 0 H SER A 5 9.051 -53.168 5.319 1.00 0.00 H new ATOM 0 HA SER A 5 7.272 -52.492 7.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.010 -50.217 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.281 -51.342 8.332 1.00 0.00 H new ATOM 0 HG SER A 5 10.087 -49.527 7.133 1.00 0.00 H new ATOM 48 N SER A 6 6.183 -50.740 5.800 1.00 0.00 N ATOM 49 CA SER A 6 5.388 -50.136 4.737 1.00 0.00 C ATOM 50 C SER A 6 4.451 -49.071 5.298 1.00 0.00 C ATOM 51 O SER A 6 4.308 -48.931 6.512 1.00 0.00 O ATOM 52 CB SER A 6 4.580 -51.208 4.004 1.00 0.00 C ATOM 53 OG SER A 6 5.408 -51.975 3.148 1.00 0.00 O ATOM 0 H SER A 6 5.834 -50.561 6.741 1.00 0.00 H new ATOM 0 HA SER A 6 6.070 -49.660 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.096 -51.862 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.788 -50.736 3.422 1.00 0.00 H new ATOM 0 HG SER A 6 6.338 -51.681 3.243 1.00 0.00 H new ATOM 59 N GLY A 7 3.813 -48.322 4.404 1.00 0.00 N ATOM 60 CA GLY A 7 2.897 -47.279 4.827 1.00 0.00 C ATOM 61 C GLY A 7 2.505 -46.355 3.691 1.00 0.00 C ATOM 62 O GLY A 7 3.365 -45.764 3.037 1.00 0.00 O ATOM 0 H GLY A 7 3.914 -48.419 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.000 -47.735 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.359 -46.695 5.623 1.00 0.00 H new ATOM 66 N LEU A 8 1.204 -46.231 3.454 1.00 0.00 N ATOM 67 CA LEU A 8 0.699 -45.373 2.388 1.00 0.00 C ATOM 68 C LEU A 8 -0.465 -44.520 2.881 1.00 0.00 C ATOM 69 O LEU A 8 -1.316 -44.988 3.638 1.00 0.00 O ATOM 70 CB LEU A 8 0.256 -46.219 1.193 1.00 0.00 C ATOM 71 CG LEU A 8 1.320 -47.134 0.586 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.673 -48.339 -0.078 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.176 -46.368 -0.412 1.00 0.00 C ATOM 0 H LEU A 8 0.480 -46.714 3.986 1.00 0.00 H new ATOM 0 HA LEU A 8 1.505 -44.709 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.589 -46.834 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.106 -45.549 0.413 1.00 0.00 H new ATOM 0 HG LEU A 8 1.965 -47.491 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.446 -48.978 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.105 -48.901 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.004 -48.002 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.928 -47.035 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.544 -45.981 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.670 -45.538 0.094 1.00 0.00 H new ATOM 85 N LEU A 9 -0.498 -43.265 2.445 1.00 0.00 N ATOM 86 CA LEU A 9 -1.559 -42.346 2.839 1.00 0.00 C ATOM 87 C LEU A 9 -1.669 -41.186 1.855 1.00 0.00 C ATOM 88 O LEU A 9 -0.728 -40.896 1.116 1.00 0.00 O ATOM 89 CB LEU A 9 -1.299 -41.810 4.249 1.00 0.00 C ATOM 90 CG LEU A 9 -0.076 -40.907 4.409 1.00 0.00 C ATOM 91 CD1 LEU A 9 -0.426 -39.468 4.064 1.00 0.00 C ATOM 92 CD2 LEU A 9 0.474 -41.000 5.825 1.00 0.00 C ATOM 0 H LEU A 9 0.198 -42.861 1.818 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.501 -42.894 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.180 -41.256 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.190 -42.659 4.924 1.00 0.00 H new ATOM 0 HG LEU A 9 0.696 -41.247 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.457 -38.840 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.772 -39.415 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.215 -39.116 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.344 -40.351 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.292 -40.687 6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.764 -42.029 6.036 1.00 0.00 H new ATOM 104 N GLU A 10 -2.822 -40.525 1.853 1.00 0.00 N ATOM 105 CA GLU A 10 -3.053 -39.395 0.960 1.00 0.00 C ATOM 106 C GLU A 10 -3.456 -38.152 1.748 1.00 0.00 C ATOM 107 O GLU A 10 -4.448 -38.162 2.478 1.00 0.00 O ATOM 108 CB GLU A 10 -4.138 -39.739 -0.063 1.00 0.00 C ATOM 109 CG GLU A 10 -5.438 -40.212 0.565 1.00 0.00 C ATOM 110 CD GLU A 10 -6.506 -40.520 -0.467 1.00 0.00 C ATOM 111 OE1 GLU A 10 -6.153 -41.031 -1.551 1.00 0.00 O ATOM 112 OE2 GLU A 10 -7.694 -40.250 -0.191 1.00 0.00 O ATOM 0 H GLU A 10 -3.610 -40.752 2.459 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.122 -39.184 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.339 -38.861 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.763 -40.515 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.246 -41.104 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.807 -39.446 1.247 1.00 0.00 H new ATOM 119 N ILE A 11 -2.681 -37.084 1.594 1.00 0.00 N ATOM 120 CA ILE A 11 -2.958 -35.834 2.291 1.00 0.00 C ATOM 121 C ILE A 11 -3.555 -34.798 1.344 1.00 0.00 C ATOM 122 O ILE A 11 -3.206 -34.743 0.165 1.00 0.00 O ATOM 123 CB ILE A 11 -1.683 -35.252 2.931 1.00 0.00 C ATOM 124 CG1 ILE A 11 -1.003 -36.304 3.810 1.00 0.00 C ATOM 125 CG2 ILE A 11 -2.018 -34.011 3.744 1.00 0.00 C ATOM 126 CD1 ILE A 11 -1.835 -36.727 5.000 1.00 0.00 C ATOM 0 H ILE A 11 -1.857 -37.059 0.993 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.678 -36.063 3.077 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.992 -34.967 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.778 -37.182 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.051 -35.909 4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.107 -33.611 4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.464 -33.259 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.724 -34.272 4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.291 -37.474 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.038 -35.860 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.777 -37.152 4.653 1.00 0.00 H new ATOM 138 N LYS A 12 -4.458 -33.976 1.869 1.00 0.00 N ATOM 139 CA LYS A 12 -5.103 -32.939 1.073 1.00 0.00 C ATOM 140 C LYS A 12 -5.361 -31.691 1.912 1.00 0.00 C ATOM 141 O LYS A 12 -6.227 -31.688 2.787 1.00 0.00 O ATOM 142 CB LYS A 12 -6.420 -33.458 0.493 1.00 0.00 C ATOM 143 CG LYS A 12 -6.237 -34.512 -0.584 1.00 0.00 C ATOM 144 CD LYS A 12 -7.486 -34.661 -1.437 1.00 0.00 C ATOM 145 CE LYS A 12 -7.312 -35.740 -2.496 1.00 0.00 C ATOM 146 NZ LYS A 12 -6.718 -35.197 -3.748 1.00 0.00 N ATOM 0 H LYS A 12 -4.759 -34.008 2.843 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.433 -32.674 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.023 -33.876 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.980 -32.620 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.392 -34.243 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.995 -35.469 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.335 -34.908 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.715 -33.710 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.674 -36.533 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.280 -36.190 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.616 -35.963 -4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.339 -34.458 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.784 -34.790 -3.541 1.00 0.00 H new ATOM 160 N ARG A 13 -4.605 -30.633 1.638 1.00 0.00 N ATOM 161 CA ARG A 13 -4.752 -29.379 2.368 1.00 0.00 C ATOM 162 C ARG A 13 -4.466 -28.186 1.461 1.00 0.00 C ATOM 163 O ARG A 13 -3.875 -28.332 0.391 1.00 0.00 O ATOM 164 CB ARG A 13 -3.813 -29.353 3.575 1.00 0.00 C ATOM 165 CG ARG A 13 -4.369 -28.584 4.762 1.00 0.00 C ATOM 166 CD ARG A 13 -3.260 -27.919 5.563 1.00 0.00 C ATOM 167 NE ARG A 13 -2.552 -28.872 6.413 1.00 0.00 N ATOM 168 CZ ARG A 13 -2.985 -29.253 7.610 1.00 0.00 C ATOM 169 NH1 ARG A 13 -4.118 -28.764 8.095 1.00 0.00 N ATOM 170 NH2 ARG A 13 -2.284 -30.124 8.324 1.00 0.00 N ATOM 0 H ARG A 13 -3.885 -30.619 0.916 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.782 -29.309 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.602 -30.377 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.864 -28.908 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.070 -27.827 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.929 -29.262 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.553 -27.447 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.684 -27.127 6.181 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.677 -29.267 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.659 -28.094 7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.448 -29.058 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.412 -30.502 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.617 -30.416 9.243 1.00 0.00 H new ATOM 184 N LYS A 14 -4.890 -27.004 1.896 1.00 0.00 N ATOM 185 CA LYS A 14 -4.679 -25.784 1.126 1.00 0.00 C ATOM 186 C LYS A 14 -3.764 -24.819 1.874 1.00 0.00 C ATOM 187 O LYS A 14 -3.717 -24.820 3.103 1.00 0.00 O ATOM 188 CB LYS A 14 -6.018 -25.106 0.829 1.00 0.00 C ATOM 189 CG LYS A 14 -6.737 -25.683 -0.379 1.00 0.00 C ATOM 190 CD LYS A 14 -7.899 -24.803 -0.809 1.00 0.00 C ATOM 191 CE LYS A 14 -8.470 -25.248 -2.146 1.00 0.00 C ATOM 192 NZ LYS A 14 -9.458 -24.270 -2.681 1.00 0.00 N ATOM 0 H LYS A 14 -5.382 -26.865 2.779 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.200 -26.056 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.663 -25.196 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.849 -24.042 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.034 -25.789 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.104 -26.682 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.681 -24.834 -0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.566 -23.768 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.659 -25.374 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.948 -26.221 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.506 -24.356 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.395 -24.464 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.164 -23.305 -2.428 1.00 0.00 H new ATOM 206 N GLY A 15 -3.038 -23.997 1.123 1.00 0.00 N ATOM 207 CA GLY A 15 -2.135 -23.038 1.732 1.00 0.00 C ATOM 208 C GLY A 15 -1.638 -22.001 0.745 1.00 0.00 C ATOM 209 O GLY A 15 -2.422 -21.423 -0.007 1.00 0.00 O ATOM 0 H GLY A 15 -3.059 -23.978 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.644 -22.537 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.283 -23.567 2.159 1.00 0.00 H new ATOM 213 N ALA A 16 -0.330 -21.762 0.748 1.00 0.00 N ATOM 214 CA ALA A 16 0.271 -20.788 -0.155 1.00 0.00 C ATOM 215 C ALA A 16 1.306 -21.445 -1.061 1.00 0.00 C ATOM 216 O ALA A 16 2.490 -21.503 -0.728 1.00 0.00 O ATOM 217 CB ALA A 16 0.904 -19.655 0.639 1.00 0.00 C ATOM 0 H ALA A 16 0.333 -22.230 1.366 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.517 -20.379 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.349 -18.934 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.140 -19.160 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.677 -20.057 1.294 1.00 0.00 H new ATOM 223 N LYS A 17 0.853 -21.939 -2.208 1.00 0.00 N ATOM 224 CA LYS A 17 1.739 -22.592 -3.164 1.00 0.00 C ATOM 225 C LYS A 17 2.211 -21.607 -4.229 1.00 0.00 C ATOM 226 O LYS A 17 2.021 -21.833 -5.424 1.00 0.00 O ATOM 227 CB LYS A 17 1.028 -23.774 -3.826 1.00 0.00 C ATOM 228 CG LYS A 17 1.969 -24.731 -4.536 1.00 0.00 C ATOM 229 CD LYS A 17 2.776 -25.555 -3.547 1.00 0.00 C ATOM 230 CE LYS A 17 1.970 -26.727 -3.009 1.00 0.00 C ATOM 231 NZ LYS A 17 2.108 -27.936 -3.868 1.00 0.00 N ATOM 0 H LYS A 17 -0.124 -21.899 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 17 2.610 -22.959 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.470 -24.323 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.301 -23.394 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.395 -25.396 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.645 -24.168 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.679 -25.925 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.096 -24.922 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.300 -26.961 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.919 -26.446 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.544 -28.713 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.769 -27.721 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.108 -28.220 -3.910 1.00 0.00 H new ATOM 245 N ARG A 18 2.828 -20.516 -3.788 1.00 0.00 N ATOM 246 CA ARG A 18 3.327 -19.497 -4.703 1.00 0.00 C ATOM 247 C ARG A 18 2.221 -19.019 -5.639 1.00 0.00 C ATOM 248 O ARG A 18 2.429 -18.882 -6.844 1.00 0.00 O ATOM 249 CB ARG A 18 4.499 -20.045 -5.520 1.00 0.00 C ATOM 250 CG ARG A 18 5.830 -19.989 -4.788 1.00 0.00 C ATOM 251 CD ARG A 18 6.029 -21.208 -3.900 1.00 0.00 C ATOM 252 NE ARG A 18 7.290 -21.150 -3.166 1.00 0.00 N ATOM 253 CZ ARG A 18 7.889 -22.217 -2.649 1.00 0.00 C ATOM 254 NH1 ARG A 18 7.344 -23.418 -2.785 1.00 0.00 N ATOM 255 NH2 ARG A 18 9.035 -22.084 -1.995 1.00 0.00 N ATOM 0 H ARG A 18 2.994 -20.315 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 18 3.670 -18.649 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.288 -21.079 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.580 -19.479 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.642 -19.928 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.875 -19.084 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.202 -21.281 -3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.007 -22.110 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 18 7.735 -20.240 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.463 -23.524 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.806 -24.236 -2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.457 -21.162 -1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.494 -22.904 -1.598 1.00 0.00 H new ATOM 269 N GLY A 19 1.043 -18.766 -5.076 1.00 0.00 N ATOM 270 CA GLY A 19 -0.078 -18.307 -5.874 1.00 0.00 C ATOM 271 C GLY A 19 -0.921 -19.451 -6.403 1.00 0.00 C ATOM 272 O GLY A 19 -0.393 -20.496 -6.781 1.00 0.00 O ATOM 0 H GLY A 19 0.846 -18.871 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.703 -17.648 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.294 -17.716 -6.711 1.00 0.00 H new ATOM 276 N SER A 20 -2.235 -19.253 -6.428 1.00 0.00 N ATOM 277 CA SER A 20 -3.153 -20.279 -6.909 1.00 0.00 C ATOM 278 C SER A 20 -4.343 -19.649 -7.627 1.00 0.00 C ATOM 279 O SER A 20 -4.571 -18.444 -7.532 1.00 0.00 O ATOM 280 CB SER A 20 -3.643 -21.141 -5.745 1.00 0.00 C ATOM 281 OG SER A 20 -3.922 -22.463 -6.171 1.00 0.00 O ATOM 0 H SER A 20 -2.688 -18.392 -6.121 1.00 0.00 H new ATOM 0 HA SER A 20 -2.616 -20.910 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.887 -21.161 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.540 -20.698 -5.313 1.00 0.00 H new ATOM 0 HG SER A 20 -4.186 -23.006 -5.399 1.00 0.00 H new ATOM 287 N GLN A 21 -5.098 -20.475 -8.345 1.00 0.00 N ATOM 288 CA GLN A 21 -6.264 -19.999 -9.080 1.00 0.00 C ATOM 289 C GLN A 21 -7.537 -20.188 -8.261 1.00 0.00 C ATOM 290 O GLN A 21 -8.357 -19.276 -8.151 1.00 0.00 O ATOM 291 CB GLN A 21 -6.388 -20.737 -10.414 1.00 0.00 C ATOM 292 CG GLN A 21 -5.272 -20.412 -11.394 1.00 0.00 C ATOM 293 CD GLN A 21 -5.632 -20.760 -12.825 1.00 0.00 C ATOM 294 OE1 GLN A 21 -6.002 -21.896 -13.125 1.00 0.00 O ATOM 295 NE2 GLN A 21 -5.526 -19.783 -13.717 1.00 0.00 N ATOM 0 H GLN A 21 -4.923 -21.476 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.132 -18.934 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.395 -21.811 -10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.346 -20.487 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.036 -19.350 -11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.372 -20.956 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.215 -18.857 -13.424 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.755 -19.959 -14.695 1.00 0.00 H new ATOM 304 N HIS A 22 -7.696 -21.377 -7.689 1.00 0.00 N ATOM 305 CA HIS A 22 -8.870 -21.685 -6.879 1.00 0.00 C ATOM 306 C HIS A 22 -9.187 -20.539 -5.924 1.00 0.00 C ATOM 307 O HIS A 22 -10.280 -19.973 -5.959 1.00 0.00 O ATOM 308 CB HIS A 22 -8.647 -22.975 -6.090 1.00 0.00 C ATOM 309 CG HIS A 22 -8.051 -24.081 -6.906 1.00 0.00 C ATOM 310 ND1 HIS A 22 -7.115 -24.964 -6.408 1.00 0.00 N ATOM 311 CD2 HIS A 22 -8.264 -24.447 -8.191 1.00 0.00 C ATOM 312 CE1 HIS A 22 -6.777 -25.823 -7.353 1.00 0.00 C ATOM 313 NE2 HIS A 22 -7.460 -25.531 -8.445 1.00 0.00 N ATOM 0 H HIS A 22 -7.027 -22.143 -7.771 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.718 -21.820 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.992 -22.765 -5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.600 -23.310 -5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.941 -23.974 -8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.064 -26.627 -7.250 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.400 -26.030 -9.333 1.00 0.00 H new ATOM 321 N TYR A 23 -8.226 -20.202 -5.072 1.00 0.00 N ATOM 322 CA TYR A 23 -8.404 -19.125 -4.105 1.00 0.00 C ATOM 323 C TYR A 23 -7.560 -17.911 -4.480 1.00 0.00 C ATOM 324 O TYR A 23 -6.330 -17.964 -4.456 1.00 0.00 O ATOM 325 CB TYR A 23 -8.031 -19.605 -2.701 1.00 0.00 C ATOM 326 CG TYR A 23 -6.721 -20.358 -2.646 1.00 0.00 C ATOM 327 CD1 TYR A 23 -6.676 -21.730 -2.864 1.00 0.00 C ATOM 328 CD2 TYR A 23 -5.529 -19.698 -2.377 1.00 0.00 C ATOM 329 CE1 TYR A 23 -5.481 -22.422 -2.815 1.00 0.00 C ATOM 330 CE2 TYR A 23 -4.329 -20.381 -2.327 1.00 0.00 C ATOM 331 CZ TYR A 23 -4.311 -21.743 -2.546 1.00 0.00 C ATOM 332 OH TYR A 23 -3.118 -22.428 -2.497 1.00 0.00 O ATOM 0 H TYR A 23 -7.315 -20.659 -5.031 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.454 -18.832 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.974 -18.744 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.826 -20.248 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.591 -22.264 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.540 -18.632 -2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.463 -23.488 -2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.411 -19.852 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.657 -22.223 -1.657 1.00 0.00 H new ATOM 342 N SER A 24 -8.230 -16.817 -4.826 1.00 0.00 N ATOM 343 CA SER A 24 -7.544 -15.589 -5.209 1.00 0.00 C ATOM 344 C SER A 24 -8.104 -14.392 -4.446 1.00 0.00 C ATOM 345 O SER A 24 -8.936 -13.646 -4.963 1.00 0.00 O ATOM 346 CB SER A 24 -7.675 -15.355 -6.715 1.00 0.00 C ATOM 347 OG SER A 24 -6.620 -14.543 -7.199 1.00 0.00 O ATOM 0 H SER A 24 -9.248 -16.756 -4.849 1.00 0.00 H new ATOM 0 HA SER A 24 -6.489 -15.698 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.670 -16.312 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.632 -14.880 -6.930 1.00 0.00 H new ATOM 0 HG SER A 24 -6.726 -14.410 -8.164 1.00 0.00 H new ATOM 353 N ASP A 25 -7.642 -14.216 -3.213 1.00 0.00 N ATOM 354 CA ASP A 25 -8.095 -13.110 -2.378 1.00 0.00 C ATOM 355 C ASP A 25 -7.144 -11.922 -2.486 1.00 0.00 C ATOM 356 O ASP A 25 -5.934 -12.094 -2.635 1.00 0.00 O ATOM 357 CB ASP A 25 -8.208 -13.557 -0.919 1.00 0.00 C ATOM 358 CG ASP A 25 -6.983 -14.317 -0.451 1.00 0.00 C ATOM 359 OD1 ASP A 25 -5.859 -13.920 -0.824 1.00 0.00 O ATOM 360 OD2 ASP A 25 -7.147 -15.311 0.289 1.00 0.00 O ATOM 0 H ASP A 25 -6.954 -14.825 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.078 -12.799 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.354 -12.683 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.090 -14.187 -0.802 1.00 0.00 H new ATOM 365 N ARG A 26 -7.700 -10.717 -2.412 1.00 0.00 N ATOM 366 CA ARG A 26 -6.902 -9.500 -2.504 1.00 0.00 C ATOM 367 C ARG A 26 -6.928 -8.732 -1.186 1.00 0.00 C ATOM 368 O ARG A 26 -7.836 -7.939 -0.934 1.00 0.00 O ATOM 369 CB ARG A 26 -7.420 -8.610 -3.636 1.00 0.00 C ATOM 370 CG ARG A 26 -7.468 -9.308 -4.986 1.00 0.00 C ATOM 371 CD ARG A 26 -6.099 -9.339 -5.646 1.00 0.00 C ATOM 372 NE ARG A 26 -6.098 -10.141 -6.867 1.00 0.00 N ATOM 373 CZ ARG A 26 -5.177 -10.032 -7.817 1.00 0.00 C ATOM 374 NH1 ARG A 26 -4.187 -9.159 -7.689 1.00 0.00 N ATOM 375 NH2 ARG A 26 -5.245 -10.797 -8.899 1.00 0.00 N ATOM 0 H ARG A 26 -8.700 -10.557 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.872 -9.786 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.420 -8.259 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.783 -7.729 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.834 -10.327 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.176 -8.795 -5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.786 -8.321 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.368 -9.744 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.846 -10.822 -6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.132 -8.569 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.481 -9.078 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.005 -11.469 -9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.537 -10.713 -9.628 1.00 0.00 H new ATOM 389 N THR A 27 -5.925 -8.973 -0.347 1.00 0.00 N ATOM 390 CA THR A 27 -5.832 -8.306 0.945 1.00 0.00 C ATOM 391 C THR A 27 -4.473 -7.640 1.124 1.00 0.00 C ATOM 392 O THR A 27 -3.489 -8.037 0.500 1.00 0.00 O ATOM 393 CB THR A 27 -6.065 -9.293 2.105 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.665 -10.611 1.714 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.529 -9.304 2.520 1.00 0.00 C ATOM 0 H THR A 27 -5.165 -9.626 -0.540 1.00 0.00 H new ATOM 0 HA THR A 27 -6.611 -7.544 0.964 1.00 0.00 H new ATOM 0 HB THR A 27 -5.465 -8.969 2.955 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.815 -11.232 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.669 -10.008 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.823 -8.306 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.145 -9.606 1.673 1.00 0.00 H new ATOM 403 N CYS A 28 -4.425 -6.626 1.982 1.00 0.00 N ATOM 404 CA CYS A 28 -3.185 -5.904 2.244 1.00 0.00 C ATOM 405 C CYS A 28 -2.100 -6.852 2.747 1.00 0.00 C ATOM 406 O CYS A 28 -2.393 -7.940 3.241 1.00 0.00 O ATOM 407 CB CYS A 28 -3.424 -4.794 3.270 1.00 0.00 C ATOM 408 SG CYS A 28 -2.052 -3.604 3.411 1.00 0.00 S ATOM 0 H CYS A 28 -5.230 -6.286 2.508 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.848 -5.458 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.332 -4.255 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.599 -5.247 4.246 1.00 0.00 H new ATOM 413 N ALA A 29 -0.847 -6.429 2.617 1.00 0.00 N ATOM 414 CA ALA A 29 0.282 -7.239 3.060 1.00 0.00 C ATOM 415 C ALA A 29 0.868 -6.699 4.360 1.00 0.00 C ATOM 416 O ALA A 29 1.838 -7.242 4.888 1.00 0.00 O ATOM 417 CB ALA A 29 1.351 -7.290 1.979 1.00 0.00 C ATOM 0 H ALA A 29 -0.588 -5.531 2.209 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.079 -8.250 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.188 -7.898 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.932 -7.729 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.700 -6.280 1.765 1.00 0.00 H new ATOM 423 N ARG A 30 0.272 -5.626 4.872 1.00 0.00 N ATOM 424 CA ARG A 30 0.737 -5.012 6.110 1.00 0.00 C ATOM 425 C ARG A 30 -0.348 -5.060 7.181 1.00 0.00 C ATOM 426 O ARG A 30 -0.061 -5.258 8.362 1.00 0.00 O ATOM 427 CB ARG A 30 1.156 -3.562 5.858 1.00 0.00 C ATOM 428 CG ARG A 30 2.252 -3.417 4.816 1.00 0.00 C ATOM 429 CD ARG A 30 3.633 -3.577 5.434 1.00 0.00 C ATOM 430 NE ARG A 30 3.858 -2.630 6.523 1.00 0.00 N ATOM 431 CZ ARG A 30 3.634 -2.914 7.801 1.00 0.00 C ATOM 432 NH1 ARG A 30 3.180 -4.111 8.148 1.00 0.00 N ATOM 433 NH2 ARG A 30 3.863 -2.000 8.735 1.00 0.00 N ATOM 0 H ARG A 30 -0.533 -5.165 4.449 1.00 0.00 H new ATOM 0 HA ARG A 30 1.599 -5.576 6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.284 -2.991 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.497 -3.123 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.113 -4.164 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.176 -2.439 4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.747 -4.594 5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.393 -3.433 4.666 1.00 0.00 H new ATOM 0 HE ARG A 30 4.206 -1.700 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.002 -4.816 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.009 -4.326 9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.211 -1.078 8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.691 -2.219 9.716 1.00 0.00 H new ATOM 447 N CYS A 31 -1.596 -4.879 6.761 1.00 0.00 N ATOM 448 CA CYS A 31 -2.725 -4.901 7.684 1.00 0.00 C ATOM 449 C CYS A 31 -3.699 -6.019 7.324 1.00 0.00 C ATOM 450 O CYS A 31 -4.605 -6.337 8.094 1.00 0.00 O ATOM 451 CB CYS A 31 -3.449 -3.554 7.669 1.00 0.00 C ATOM 452 SG CYS A 31 -4.191 -3.126 6.061 1.00 0.00 S ATOM 0 H CYS A 31 -1.851 -4.715 5.787 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.340 -5.087 8.687 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.232 -3.566 8.427 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.744 -2.772 7.952 1.00 0.00 H new ATOM 457 N GLN A 32 -3.506 -6.610 6.150 1.00 0.00 N ATOM 458 CA GLN A 32 -4.368 -7.692 5.688 1.00 0.00 C ATOM 459 C GLN A 32 -5.827 -7.249 5.658 1.00 0.00 C ATOM 460 O GLN A 32 -6.725 -8.019 5.996 1.00 0.00 O ATOM 461 CB GLN A 32 -4.213 -8.917 6.591 1.00 0.00 C ATOM 462 CG GLN A 32 -2.798 -9.471 6.627 1.00 0.00 C ATOM 463 CD GLN A 32 -1.912 -8.748 7.622 1.00 0.00 C ATOM 464 OE1 GLN A 32 -1.853 -9.112 8.797 1.00 0.00 O ATOM 465 NE2 GLN A 32 -1.217 -7.717 7.156 1.00 0.00 N ATOM 0 H GLN A 32 -2.761 -6.358 5.501 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.066 -7.956 4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.516 -8.652 7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.892 -9.698 6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.833 -10.530 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.357 -9.396 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.296 -7.450 6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.604 -7.192 7.779 1.00 0.00 H new ATOM 474 N GLU A 33 -6.055 -6.004 5.251 1.00 0.00 N ATOM 475 CA GLU A 33 -7.405 -5.460 5.178 1.00 0.00 C ATOM 476 C GLU A 33 -8.098 -5.894 3.889 1.00 0.00 C ATOM 477 O GLU A 33 -7.467 -6.451 2.990 1.00 0.00 O ATOM 478 CB GLU A 33 -7.369 -3.933 5.261 1.00 0.00 C ATOM 479 CG GLU A 33 -7.463 -3.398 6.680 1.00 0.00 C ATOM 480 CD GLU A 33 -7.768 -1.914 6.725 1.00 0.00 C ATOM 481 OE1 GLU A 33 -8.516 -1.434 5.847 1.00 0.00 O ATOM 482 OE2 GLU A 33 -7.260 -1.231 7.639 1.00 0.00 O ATOM 0 H GLU A 33 -5.322 -5.354 4.967 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.972 -5.849 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.445 -3.575 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.192 -3.526 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.240 -3.941 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.523 -3.588 7.199 1.00 0.00 H new ATOM 489 N SER A 34 -9.399 -5.635 3.807 1.00 0.00 N ATOM 490 CA SER A 34 -10.179 -6.002 2.631 1.00 0.00 C ATOM 491 C SER A 34 -10.053 -4.940 1.543 1.00 0.00 C ATOM 492 O SER A 34 -10.658 -3.870 1.630 1.00 0.00 O ATOM 493 CB SER A 34 -11.650 -6.192 3.007 1.00 0.00 C ATOM 494 OG SER A 34 -12.434 -6.486 1.864 1.00 0.00 O ATOM 0 H SER A 34 -9.935 -5.172 4.541 1.00 0.00 H new ATOM 0 HA SER A 34 -9.786 -6.942 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.742 -7.000 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.026 -5.288 3.487 1.00 0.00 H new ATOM 0 HG SER A 34 -13.370 -6.604 2.131 1.00 0.00 H new ATOM 500 N LEU A 35 -9.264 -5.242 0.518 1.00 0.00 N ATOM 501 CA LEU A 35 -9.058 -4.315 -0.589 1.00 0.00 C ATOM 502 C LEU A 35 -10.131 -4.495 -1.658 1.00 0.00 C ATOM 503 O LEU A 35 -9.868 -4.336 -2.849 1.00 0.00 O ATOM 504 CB LEU A 35 -7.672 -4.521 -1.202 1.00 0.00 C ATOM 505 CG LEU A 35 -6.486 -4.363 -0.249 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.264 -5.085 -0.794 1.00 0.00 C ATOM 507 CD2 LEU A 35 -6.180 -2.891 -0.018 1.00 0.00 C ATOM 0 H LEU A 35 -8.756 -6.122 0.430 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.128 -3.300 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.633 -5.520 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.550 -3.813 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.751 -4.812 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.430 -4.962 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.488 -6.146 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.996 -4.666 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.334 -2.798 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.936 -2.417 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.051 -2.402 0.418 1.00 0.00 H new ATOM 519 N GLY A 36 -11.343 -4.827 -1.223 1.00 0.00 N ATOM 520 CA GLY A 36 -12.438 -5.022 -2.155 1.00 0.00 C ATOM 521 C GLY A 36 -12.661 -3.817 -3.048 1.00 0.00 C ATOM 522 O GLY A 36 -12.612 -3.927 -4.273 1.00 0.00 O ATOM 0 H GLY A 36 -11.586 -4.964 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.233 -5.896 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.351 -5.232 -1.599 1.00 0.00 H new ATOM 526 N ARG A 37 -12.907 -2.665 -2.433 1.00 0.00 N ATOM 527 CA ARG A 37 -13.141 -1.435 -3.181 1.00 0.00 C ATOM 528 C ARG A 37 -11.859 -0.958 -3.858 1.00 0.00 C ATOM 529 O ARG A 37 -11.877 -0.528 -5.012 1.00 0.00 O ATOM 530 CB ARG A 37 -13.677 -0.343 -2.253 1.00 0.00 C ATOM 531 CG ARG A 37 -15.194 -0.300 -2.176 1.00 0.00 C ATOM 532 CD ARG A 37 -15.745 -1.478 -1.386 1.00 0.00 C ATOM 533 NE ARG A 37 -15.728 -2.714 -2.163 1.00 0.00 N ATOM 534 CZ ARG A 37 -16.519 -3.751 -1.912 1.00 0.00 C ATOM 535 NH1 ARG A 37 -17.386 -3.700 -0.910 1.00 0.00 N ATOM 536 NH2 ARG A 37 -16.444 -4.842 -2.664 1.00 0.00 N ATOM 0 H ARG A 37 -12.949 -2.557 -1.420 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.883 -1.644 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.275 -0.499 -1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.311 0.625 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.509 0.633 -1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.611 -0.309 -3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.157 -1.612 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.766 -1.260 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.073 -2.785 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.447 -2.863 -0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.992 -4.498 -0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.778 -4.885 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.052 -5.638 -2.470 1.00 0.00 H new ATOM 550 N LEU A 38 -10.749 -1.037 -3.133 1.00 0.00 N ATOM 551 CA LEU A 38 -9.457 -0.614 -3.663 1.00 0.00 C ATOM 552 C LEU A 38 -8.940 -1.608 -4.697 1.00 0.00 C ATOM 553 O LEU A 38 -9.138 -2.816 -4.564 1.00 0.00 O ATOM 554 CB LEU A 38 -8.442 -0.466 -2.528 1.00 0.00 C ATOM 555 CG LEU A 38 -8.482 0.855 -1.759 1.00 0.00 C ATOM 556 CD1 LEU A 38 -7.737 0.727 -0.439 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.895 1.979 -2.599 1.00 0.00 C ATOM 0 H LEU A 38 -10.717 -1.390 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.591 0.352 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.598 -1.280 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.442 -0.591 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.523 1.096 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.776 1.677 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.203 -0.049 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.698 0.462 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.932 2.911 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.860 1.745 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.472 2.087 -3.517 1.00 0.00 H new ATOM 569 N SER A 39 -8.275 -1.093 -5.726 1.00 0.00 N ATOM 570 CA SER A 39 -7.731 -1.935 -6.784 1.00 0.00 C ATOM 571 C SER A 39 -6.345 -2.452 -6.408 1.00 0.00 C ATOM 572 O SER A 39 -5.416 -1.685 -6.157 1.00 0.00 O ATOM 573 CB SER A 39 -7.658 -1.156 -8.099 1.00 0.00 C ATOM 574 OG SER A 39 -8.954 -0.879 -8.600 1.00 0.00 O ATOM 0 H SER A 39 -8.100 -0.096 -5.849 1.00 0.00 H new ATOM 0 HA SER A 39 -8.396 -2.789 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.118 -0.222 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.095 -1.730 -8.835 1.00 0.00 H new ATOM 0 HG SER A 39 -8.880 -0.379 -9.440 1.00 0.00 H new ATOM 580 N PRO A 40 -6.203 -3.785 -6.368 1.00 0.00 N ATOM 581 CA PRO A 40 -4.935 -4.436 -6.024 1.00 0.00 C ATOM 582 C PRO A 40 -3.879 -4.257 -7.110 1.00 0.00 C ATOM 583 O PRO A 40 -2.750 -3.854 -6.831 1.00 0.00 O ATOM 584 CB PRO A 40 -5.319 -5.911 -5.889 1.00 0.00 C ATOM 585 CG PRO A 40 -6.531 -6.067 -6.742 1.00 0.00 C ATOM 586 CD PRO A 40 -7.269 -4.760 -6.656 1.00 0.00 C ATOM 0 HA PRO A 40 -4.491 -4.013 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.512 -6.562 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.529 -6.172 -4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.257 -6.293 -7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.153 -6.890 -6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.785 -4.528 -7.588 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.023 -4.775 -5.869 1.00 0.00 H new ATOM 594 N LYS A 41 -4.253 -4.560 -8.348 1.00 0.00 N ATOM 595 CA LYS A 41 -3.339 -4.432 -9.477 1.00 0.00 C ATOM 596 C LYS A 41 -2.507 -3.159 -9.361 1.00 0.00 C ATOM 597 O LYS A 41 -1.277 -3.205 -9.366 1.00 0.00 O ATOM 598 CB LYS A 41 -4.119 -4.426 -10.793 1.00 0.00 C ATOM 599 CG LYS A 41 -3.242 -4.240 -12.019 1.00 0.00 C ATOM 600 CD LYS A 41 -3.113 -2.773 -12.394 1.00 0.00 C ATOM 601 CE LYS A 41 -1.848 -2.513 -13.198 1.00 0.00 C ATOM 602 NZ LYS A 41 -1.347 -1.123 -13.010 1.00 0.00 N ATOM 0 H LYS A 41 -5.184 -4.896 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.665 -5.288 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.665 -5.365 -10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.860 -3.628 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.253 -4.656 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.664 -4.795 -12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.984 -2.467 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.102 -2.165 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.075 -3.221 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.047 -2.687 -14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.484 -0.986 -13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.074 -0.447 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.132 -0.964 -12.005 1.00 0.00 H new ATOM 616 N THR A 42 -3.187 -2.021 -9.256 1.00 0.00 N ATOM 617 CA THR A 42 -2.510 -0.735 -9.139 1.00 0.00 C ATOM 618 C THR A 42 -1.933 -0.543 -7.741 1.00 0.00 C ATOM 619 O THR A 42 -0.974 0.205 -7.553 1.00 0.00 O ATOM 620 CB THR A 42 -3.465 0.433 -9.453 1.00 0.00 C ATOM 621 OG1 THR A 42 -2.775 1.680 -9.316 1.00 0.00 O ATOM 622 CG2 THR A 42 -4.671 0.410 -8.525 1.00 0.00 C ATOM 0 H THR A 42 -4.205 -1.964 -9.250 1.00 0.00 H new ATOM 0 HA THR A 42 -1.699 -0.737 -9.867 1.00 0.00 H new ATOM 0 HB THR A 42 -3.814 0.322 -10.480 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.388 2.417 -9.519 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.331 1.244 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.211 -0.528 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.336 0.498 -7.491 1.00 0.00 H new ATOM 630 N ASN A 43 -2.523 -1.223 -6.764 1.00 0.00 N ATOM 631 CA ASN A 43 -2.066 -1.126 -5.382 1.00 0.00 C ATOM 632 C ASN A 43 -0.958 -2.137 -5.104 1.00 0.00 C ATOM 633 O ASN A 43 -0.986 -2.846 -4.097 1.00 0.00 O ATOM 634 CB ASN A 43 -3.234 -1.355 -4.420 1.00 0.00 C ATOM 635 CG ASN A 43 -4.159 -0.156 -4.338 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.871 0.903 -4.895 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.277 -0.319 -3.640 1.00 0.00 N ATOM 0 H ASN A 43 -3.318 -1.847 -6.903 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.667 -0.124 -5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.802 -2.227 -4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.845 -1.579 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.938 0.452 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.474 -1.215 -3.195 1.00 0.00 H new ATOM 644 N THR A 44 0.020 -2.198 -6.003 1.00 0.00 N ATOM 645 CA THR A 44 1.137 -3.121 -5.855 1.00 0.00 C ATOM 646 C THR A 44 2.437 -2.372 -5.585 1.00 0.00 C ATOM 647 O THR A 44 2.906 -1.600 -6.421 1.00 0.00 O ATOM 648 CB THR A 44 1.314 -3.995 -7.112 1.00 0.00 C ATOM 649 OG1 THR A 44 0.120 -4.748 -7.356 1.00 0.00 O ATOM 650 CG2 THR A 44 2.493 -4.943 -6.951 1.00 0.00 C ATOM 0 H THR A 44 0.060 -1.618 -6.841 1.00 0.00 H new ATOM 0 HA THR A 44 0.906 -3.762 -5.004 1.00 0.00 H new ATOM 0 HB THR A 44 1.510 -3.338 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.430 -4.283 -8.021 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.598 -5.549 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.405 -4.366 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.322 -5.593 -6.093 1.00 0.00 H new ATOM 658 N CYS A 45 3.016 -2.606 -4.412 1.00 0.00 N ATOM 659 CA CYS A 45 4.263 -1.954 -4.031 1.00 0.00 C ATOM 660 C CYS A 45 5.389 -2.330 -4.989 1.00 0.00 C ATOM 661 O CYS A 45 5.822 -3.482 -5.033 1.00 0.00 O ATOM 662 CB CYS A 45 4.647 -2.337 -2.600 1.00 0.00 C ATOM 663 SG CYS A 45 6.320 -1.807 -2.112 1.00 0.00 S ATOM 0 H CYS A 45 2.641 -3.243 -3.709 1.00 0.00 H new ATOM 0 HA CYS A 45 4.110 -0.876 -4.083 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.924 -1.900 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.575 -3.419 -2.493 1.00 0.00 H new ATOM 668 N ARG A 46 5.859 -1.351 -5.755 1.00 0.00 N ATOM 669 CA ARG A 46 6.934 -1.579 -6.713 1.00 0.00 C ATOM 670 C ARG A 46 8.187 -2.095 -6.012 1.00 0.00 C ATOM 671 O ARG A 46 9.070 -2.673 -6.644 1.00 0.00 O ATOM 672 CB ARG A 46 7.255 -0.288 -7.469 1.00 0.00 C ATOM 673 CG ARG A 46 6.036 0.370 -8.095 1.00 0.00 C ATOM 674 CD ARG A 46 6.435 1.427 -9.113 1.00 0.00 C ATOM 675 NE ARG A 46 5.277 2.141 -9.644 1.00 0.00 N ATOM 676 CZ ARG A 46 4.482 1.653 -10.590 1.00 0.00 C ATOM 677 NH1 ARG A 46 4.720 0.455 -11.107 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.448 2.363 -11.021 1.00 0.00 N ATOM 0 H ARG A 46 5.512 -0.392 -5.731 1.00 0.00 H new ATOM 0 HA ARG A 46 6.599 -2.335 -7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.726 0.417 -6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.982 -0.506 -8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.420 -0.388 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.426 0.826 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.117 2.138 -8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.977 0.955 -9.933 1.00 0.00 H new ATOM 0 HE ARG A 46 5.067 3.066 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.515 -0.094 -10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.108 0.082 -11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.262 3.285 -10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.838 1.987 -11.747 1.00 0.00 H new ATOM 692 N GLY A 47 8.256 -1.882 -4.702 1.00 0.00 N ATOM 693 CA GLY A 47 9.405 -2.331 -3.937 1.00 0.00 C ATOM 694 C GLY A 47 9.434 -3.837 -3.765 1.00 0.00 C ATOM 695 O GLY A 47 10.332 -4.510 -4.273 1.00 0.00 O ATOM 0 H GLY A 47 7.537 -1.407 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.319 -2.008 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.392 -1.856 -2.956 1.00 0.00 H new ATOM 699 N CYS A 48 8.451 -4.368 -3.046 1.00 0.00 N ATOM 700 CA CYS A 48 8.368 -5.804 -2.807 1.00 0.00 C ATOM 701 C CYS A 48 7.251 -6.430 -3.636 1.00 0.00 C ATOM 702 O CYS A 48 6.767 -7.517 -3.324 1.00 0.00 O ATOM 703 CB CYS A 48 8.131 -6.081 -1.321 1.00 0.00 C ATOM 704 SG CYS A 48 6.748 -5.140 -0.600 1.00 0.00 S ATOM 0 H CYS A 48 7.701 -3.825 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 48 9.315 -6.253 -3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.941 -7.146 -1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.042 -5.848 -0.769 1.00 0.00 H new ATOM 709 N ASN A 49 6.847 -5.736 -4.695 1.00 0.00 N ATOM 710 CA ASN A 49 5.787 -6.223 -5.570 1.00 0.00 C ATOM 711 C ASN A 49 4.693 -6.917 -4.765 1.00 0.00 C ATOM 712 O ASN A 49 4.175 -7.958 -5.170 1.00 0.00 O ATOM 713 CB ASN A 49 6.360 -7.187 -6.611 1.00 0.00 C ATOM 714 CG ASN A 49 7.296 -6.498 -7.585 1.00 0.00 C ATOM 715 OD1 ASN A 49 8.516 -6.622 -7.484 1.00 0.00 O ATOM 716 ND2 ASN A 49 6.726 -5.765 -8.535 1.00 0.00 N ATOM 0 H ASN A 49 7.238 -4.834 -4.968 1.00 0.00 H new ATOM 0 HA ASN A 49 5.349 -5.366 -6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.895 -7.989 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.542 -7.649 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.305 -5.277 -9.219 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.710 -5.690 -8.581 1.00 0.00 H new ATOM 723 N HIS A 50 4.346 -6.334 -3.622 1.00 0.00 N ATOM 724 CA HIS A 50 3.313 -6.895 -2.760 1.00 0.00 C ATOM 725 C HIS A 50 2.006 -6.120 -2.902 1.00 0.00 C ATOM 726 O HIS A 50 1.937 -5.127 -3.627 1.00 0.00 O ATOM 727 CB HIS A 50 3.772 -6.881 -1.301 1.00 0.00 C ATOM 728 CG HIS A 50 4.591 -8.075 -0.919 1.00 0.00 C ATOM 729 ND1 HIS A 50 4.374 -9.334 -1.440 1.00 0.00 N ATOM 730 CD2 HIS A 50 5.632 -8.198 -0.064 1.00 0.00 C ATOM 731 CE1 HIS A 50 5.246 -10.179 -0.919 1.00 0.00 C ATOM 732 NE2 HIS A 50 6.021 -9.514 -0.081 1.00 0.00 N ATOM 0 H HIS A 50 4.766 -5.473 -3.272 1.00 0.00 H new ATOM 0 HA HIS A 50 3.139 -7.926 -3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.355 -5.978 -1.121 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.896 -6.829 -0.654 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.075 -7.407 0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.314 -11.234 -1.141 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.784 -9.914 0.465 1.00 0.00 H new ATOM 740 N LEU A 51 0.972 -6.580 -2.205 1.00 0.00 N ATOM 741 CA LEU A 51 -0.333 -5.930 -2.254 1.00 0.00 C ATOM 742 C LEU A 51 -0.623 -5.192 -0.951 1.00 0.00 C ATOM 743 O LEU A 51 -0.762 -5.808 0.106 1.00 0.00 O ATOM 744 CB LEU A 51 -1.429 -6.963 -2.523 1.00 0.00 C ATOM 745 CG LEU A 51 -2.865 -6.495 -2.285 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.261 -5.443 -3.309 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.825 -7.675 -2.332 1.00 0.00 C ATOM 0 H LEU A 51 1.012 -7.400 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.319 -5.203 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.343 -7.294 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.243 -7.833 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.920 -6.046 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.286 -5.122 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.592 -4.586 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.189 -5.865 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.842 -7.323 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.766 -8.153 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.555 -8.395 -1.559 1.00 0.00 H new ATOM 759 N VAL A 52 -0.714 -3.869 -1.035 1.00 0.00 N ATOM 760 CA VAL A 52 -0.991 -3.046 0.137 1.00 0.00 C ATOM 761 C VAL A 52 -2.063 -2.005 -0.163 1.00 0.00 C ATOM 762 O VAL A 52 -2.321 -1.680 -1.323 1.00 0.00 O ATOM 763 CB VAL A 52 0.280 -2.331 0.634 1.00 0.00 C ATOM 764 CG1 VAL A 52 1.063 -3.229 1.579 1.00 0.00 C ATOM 765 CG2 VAL A 52 1.142 -1.900 -0.543 1.00 0.00 C ATOM 0 H VAL A 52 -0.600 -3.344 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.350 -3.717 0.917 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.017 -1.438 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.957 -2.707 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.442 -3.483 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.352 -4.142 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.036 -1.397 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.432 -2.777 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.577 -1.217 -1.177 1.00 0.00 H new ATOM 775 N CYS A 53 -2.684 -1.483 0.889 1.00 0.00 N ATOM 776 CA CYS A 53 -3.729 -0.477 0.739 1.00 0.00 C ATOM 777 C CYS A 53 -3.124 0.911 0.549 1.00 0.00 C ATOM 778 O CYS A 53 -1.908 1.085 0.621 1.00 0.00 O ATOM 779 CB CYS A 53 -4.649 -0.481 1.961 1.00 0.00 C ATOM 780 SG CYS A 53 -3.815 -0.047 3.521 1.00 0.00 S ATOM 0 H CYS A 53 -2.482 -1.740 1.855 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.313 -0.725 -0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.465 0.221 1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.095 -1.470 2.063 1.00 0.00 H new ATOM 785 N ARG A 54 -3.983 1.896 0.305 1.00 0.00 N ATOM 786 CA ARG A 54 -3.534 3.268 0.103 1.00 0.00 C ATOM 787 C ARG A 54 -3.190 3.929 1.435 1.00 0.00 C ATOM 788 O ARG A 54 -2.962 5.137 1.499 1.00 0.00 O ATOM 789 CB ARG A 54 -4.612 4.080 -0.617 1.00 0.00 C ATOM 790 CG ARG A 54 -5.915 4.185 0.159 1.00 0.00 C ATOM 791 CD ARG A 54 -5.912 5.385 1.092 1.00 0.00 C ATOM 792 NE ARG A 54 -7.232 5.637 1.665 1.00 0.00 N ATOM 793 CZ ARG A 54 -7.460 6.532 2.620 1.00 0.00 C ATOM 794 NH1 ARG A 54 -6.462 7.257 3.106 1.00 0.00 N ATOM 795 NH2 ARG A 54 -8.689 6.703 3.091 1.00 0.00 N ATOM 0 H ARG A 54 -4.993 1.769 0.243 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.636 3.242 -0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.232 5.083 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.812 3.624 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.749 4.267 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.070 3.274 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.194 5.218 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.579 6.268 0.546 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.022 5.096 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.516 7.128 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.640 7.943 3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.459 6.147 2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.863 7.390 3.824 1.00 0.00 H new ATOM 809 N ASP A 55 -3.154 3.129 2.495 1.00 0.00 N ATOM 810 CA ASP A 55 -2.838 3.635 3.825 1.00 0.00 C ATOM 811 C ASP A 55 -1.495 3.095 4.307 1.00 0.00 C ATOM 812 O ASP A 55 -0.809 3.730 5.109 1.00 0.00 O ATOM 813 CB ASP A 55 -3.939 3.254 4.815 1.00 0.00 C ATOM 814 CG ASP A 55 -4.023 4.213 5.986 1.00 0.00 C ATOM 815 OD1 ASP A 55 -3.147 4.145 6.873 1.00 0.00 O ATOM 816 OD2 ASP A 55 -4.965 5.033 6.014 1.00 0.00 O ATOM 0 H ASP A 55 -3.340 2.127 2.459 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.773 4.722 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.898 3.233 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.756 2.246 5.187 1.00 0.00 H new ATOM 821 N CYS A 56 -1.125 1.918 3.813 1.00 0.00 N ATOM 822 CA CYS A 56 0.135 1.291 4.193 1.00 0.00 C ATOM 823 C CYS A 56 1.216 1.565 3.151 1.00 0.00 C ATOM 824 O CYS A 56 2.248 0.895 3.121 1.00 0.00 O ATOM 825 CB CYS A 56 -0.053 -0.218 4.363 1.00 0.00 C ATOM 826 SG CYS A 56 -1.140 -0.680 5.749 1.00 0.00 S ATOM 0 H CYS A 56 -1.680 1.379 3.148 1.00 0.00 H new ATOM 0 HA CYS A 56 0.453 1.721 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.464 -0.628 3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.923 -0.681 4.511 1.00 0.00 H new ATOM 831 N ARG A 57 0.971 2.556 2.299 1.00 0.00 N ATOM 832 CA ARG A 57 1.922 2.919 1.256 1.00 0.00 C ATOM 833 C ARG A 57 2.375 4.367 1.413 1.00 0.00 C ATOM 834 O ARG A 57 1.794 5.129 2.187 1.00 0.00 O ATOM 835 CB ARG A 57 1.297 2.715 -0.126 1.00 0.00 C ATOM 836 CG ARG A 57 -0.077 3.347 -0.272 1.00 0.00 C ATOM 837 CD ARG A 57 0.022 4.828 -0.603 1.00 0.00 C ATOM 838 NE ARG A 57 0.631 5.057 -1.910 1.00 0.00 N ATOM 839 CZ ARG A 57 -0.063 5.138 -3.040 1.00 0.00 C ATOM 840 NH1 ARG A 57 -1.383 5.009 -3.022 1.00 0.00 N ATOM 841 NH2 ARG A 57 0.563 5.349 -4.191 1.00 0.00 N ATOM 0 H ARG A 57 0.122 3.121 2.311 1.00 0.00 H new ATOM 0 HA ARG A 57 2.794 2.272 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.962 3.133 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.219 1.646 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.633 2.834 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.639 3.217 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.974 5.271 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.610 5.332 0.164 1.00 0.00 H new ATOM 0 HE ARG A 57 1.645 5.160 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.868 4.847 -2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.913 5.072 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.578 5.449 -4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.029 5.411 -5.058 1.00 0.00 H new ATOM 855 N ILE A 58 3.414 4.740 0.674 1.00 0.00 N ATOM 856 CA ILE A 58 3.944 6.097 0.731 1.00 0.00 C ATOM 857 C ILE A 58 4.191 6.650 -0.668 1.00 0.00 C ATOM 858 O ILE A 58 4.852 6.015 -1.489 1.00 0.00 O ATOM 859 CB ILE A 58 5.258 6.155 1.533 1.00 0.00 C ATOM 860 CG1 ILE A 58 5.006 5.776 2.994 1.00 0.00 C ATOM 861 CG2 ILE A 58 5.875 7.542 1.439 1.00 0.00 C ATOM 862 CD1 ILE A 58 4.953 4.283 3.230 1.00 0.00 C ATOM 0 H ILE A 58 3.906 4.122 0.029 1.00 0.00 H new ATOM 0 HA ILE A 58 3.194 6.708 1.233 1.00 0.00 H new ATOM 0 HB ILE A 58 5.959 5.437 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.793 6.206 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.066 6.221 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.803 7.567 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.085 7.777 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.180 8.278 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.771 4.088 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.148 3.849 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.902 3.834 2.936 1.00 0.00 H new ATOM 874 N GLN A 59 3.656 7.838 -0.931 1.00 0.00 N ATOM 875 CA GLN A 59 3.819 8.478 -2.232 1.00 0.00 C ATOM 876 C GLN A 59 5.171 9.175 -2.329 1.00 0.00 C ATOM 877 O GLN A 59 5.492 10.043 -1.518 1.00 0.00 O ATOM 878 CB GLN A 59 2.693 9.485 -2.473 1.00 0.00 C ATOM 879 CG GLN A 59 1.480 8.887 -3.167 1.00 0.00 C ATOM 880 CD GLN A 59 1.730 8.600 -4.635 1.00 0.00 C ATOM 881 OE1 GLN A 59 1.508 7.485 -5.108 1.00 0.00 O ATOM 882 NE2 GLN A 59 2.194 9.608 -5.364 1.00 0.00 N ATOM 0 H GLN A 59 3.106 8.377 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 59 3.774 7.704 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.383 9.906 -1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.076 10.309 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.197 7.963 -2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.638 9.572 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.364 10.515 -4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.381 9.475 -6.358 1.00 0.00 H new ATOM 891 N GLU A 60 5.961 8.790 -3.327 1.00 0.00 N ATOM 892 CA GLU A 60 7.279 9.378 -3.528 1.00 0.00 C ATOM 893 C GLU A 60 7.216 10.524 -4.535 1.00 0.00 C ATOM 894 O GLU A 60 6.518 10.438 -5.545 1.00 0.00 O ATOM 895 CB GLU A 60 8.269 8.315 -4.010 1.00 0.00 C ATOM 896 CG GLU A 60 8.778 7.411 -2.901 1.00 0.00 C ATOM 897 CD GLU A 60 10.036 7.945 -2.244 1.00 0.00 C ATOM 898 OE1 GLU A 60 10.165 9.182 -2.130 1.00 0.00 O ATOM 899 OE2 GLU A 60 10.891 7.127 -1.844 1.00 0.00 O ATOM 0 H GLU A 60 5.710 8.074 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 60 7.621 9.775 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.789 7.704 -4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.118 8.809 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.000 7.295 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.978 6.420 -3.308 1.00 0.00 H new ATOM 906 N SER A 61 7.949 11.595 -4.251 1.00 0.00 N ATOM 907 CA SER A 61 7.974 12.760 -5.128 1.00 0.00 C ATOM 908 C SER A 61 8.035 12.335 -6.592 1.00 0.00 C ATOM 909 O SER A 61 7.170 12.694 -7.390 1.00 0.00 O ATOM 910 CB SER A 61 9.170 13.652 -4.793 1.00 0.00 C ATOM 911 OG SER A 61 9.238 14.764 -5.668 1.00 0.00 O ATOM 0 H SER A 61 8.534 11.681 -3.420 1.00 0.00 H new ATOM 0 HA SER A 61 7.055 13.324 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.091 14.000 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.091 13.073 -4.864 1.00 0.00 H new ATOM 0 HG SER A 61 10.010 15.319 -5.432 1.00 0.00 H new ATOM 917 N ASN A 62 9.065 11.570 -6.937 1.00 0.00 N ATOM 918 CA ASN A 62 9.241 11.097 -8.305 1.00 0.00 C ATOM 919 C ASN A 62 7.918 10.606 -8.886 1.00 0.00 C ATOM 920 O ASN A 62 7.645 10.781 -10.072 1.00 0.00 O ATOM 921 CB ASN A 62 10.278 9.973 -8.349 1.00 0.00 C ATOM 922 CG ASN A 62 9.692 8.630 -7.958 1.00 0.00 C ATOM 923 OD1 ASN A 62 9.181 7.894 -8.802 1.00 0.00 O ATOM 924 ND2 ASN A 62 9.764 8.305 -6.673 1.00 0.00 N ATOM 0 H ASN A 62 9.790 11.264 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 62 9.595 11.933 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.695 9.906 -9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.102 10.216 -7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.387 7.414 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.197 8.946 -6.008 1.00 0.00 H new ATOM 931 N GLY A 63 7.099 9.990 -8.038 1.00 0.00 N ATOM 932 CA GLY A 63 5.814 9.483 -8.485 1.00 0.00 C ATOM 933 C GLY A 63 5.527 8.089 -7.963 1.00 0.00 C ATOM 934 O GLY A 63 4.381 7.754 -7.661 1.00 0.00 O ATOM 0 H GLY A 63 7.302 9.833 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.026 10.160 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.791 9.471 -9.575 1.00 0.00 H new ATOM 938 N THR A 64 6.571 7.272 -7.856 1.00 0.00 N ATOM 939 CA THR A 64 6.425 5.906 -7.370 1.00 0.00 C ATOM 940 C THR A 64 5.932 5.885 -5.928 1.00 0.00 C ATOM 941 O THR A 64 5.741 6.934 -5.312 1.00 0.00 O ATOM 942 CB THR A 64 7.755 5.135 -7.457 1.00 0.00 C ATOM 943 OG1 THR A 64 8.751 5.783 -6.657 1.00 0.00 O ATOM 944 CG2 THR A 64 8.235 5.044 -8.897 1.00 0.00 C ATOM 0 H THR A 64 7.526 7.533 -8.100 1.00 0.00 H new ATOM 0 HA THR A 64 5.688 5.420 -8.010 1.00 0.00 H new ATOM 0 HB THR A 64 7.589 4.125 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.593 5.286 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.176 4.495 -8.933 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.488 4.524 -9.497 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.385 6.048 -9.295 1.00 0.00 H new ATOM 952 N TRP A 65 5.727 4.686 -5.395 1.00 0.00 N ATOM 953 CA TRP A 65 5.256 4.530 -4.024 1.00 0.00 C ATOM 954 C TRP A 65 5.614 3.152 -3.479 1.00 0.00 C ATOM 955 O TRP A 65 5.612 2.164 -4.214 1.00 0.00 O ATOM 956 CB TRP A 65 3.743 4.742 -3.955 1.00 0.00 C ATOM 957 CG TRP A 65 2.958 3.616 -4.556 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.392 3.583 -5.798 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.650 2.361 -3.939 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.751 2.382 -5.991 1.00 0.00 N ATOM 961 CE2 TRP A 65 1.895 1.615 -4.866 1.00 0.00 C ATOM 962 CE3 TRP A 65 2.941 1.794 -2.695 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.428 0.334 -4.585 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.476 0.522 -2.418 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.727 -0.197 -3.360 1.00 0.00 C ATOM 0 H TRP A 65 5.880 3.808 -5.891 1.00 0.00 H new ATOM 0 HA TRP A 65 5.749 5.283 -3.409 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.448 4.866 -2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.489 5.668 -4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.441 4.383 -6.522 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.249 2.107 -6.836 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.519 2.340 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.850 -0.221 -5.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.693 0.074 -1.459 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.379 -1.189 -3.114 1.00 0.00 H new ATOM 976 N ARG A 66 5.921 3.092 -2.187 1.00 0.00 N ATOM 977 CA ARG A 66 6.282 1.833 -1.545 1.00 0.00 C ATOM 978 C ARG A 66 5.564 1.680 -0.208 1.00 0.00 C ATOM 979 O ARG A 66 5.040 2.649 0.343 1.00 0.00 O ATOM 980 CB ARG A 66 7.795 1.759 -1.335 1.00 0.00 C ATOM 981 CG ARG A 66 8.564 1.356 -2.583 1.00 0.00 C ATOM 982 CD ARG A 66 10.056 1.598 -2.420 1.00 0.00 C ATOM 983 NE ARG A 66 10.393 3.017 -2.502 1.00 0.00 N ATOM 984 CZ ARG A 66 11.597 3.468 -2.835 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.574 2.617 -3.116 1.00 0.00 N ATOM 986 NH2 ARG A 66 11.826 4.774 -2.888 1.00 0.00 N ATOM 0 H ARG A 66 5.927 3.900 -1.564 1.00 0.00 H new ATOM 0 HA ARG A 66 5.973 1.018 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.154 2.730 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.009 1.044 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.386 0.302 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.194 1.921 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.384 1.202 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.598 1.052 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 66 9.664 3.699 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.402 1.612 -3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.497 2.967 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.077 5.432 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.751 5.120 -3.144 1.00 0.00 H new ATOM 1000 N CYS A 67 5.543 0.456 0.310 1.00 0.00 N ATOM 1001 CA CYS A 67 4.889 0.175 1.582 1.00 0.00 C ATOM 1002 C CYS A 67 5.687 0.757 2.745 1.00 0.00 C ATOM 1003 O CYS A 67 6.883 1.022 2.621 1.00 0.00 O ATOM 1004 CB CYS A 67 4.721 -1.334 1.770 1.00 0.00 C ATOM 1005 SG CYS A 67 6.292 -2.255 1.836 1.00 0.00 S ATOM 0 H CYS A 67 5.972 -0.357 -0.132 1.00 0.00 H new ATOM 0 HA CYS A 67 3.906 0.645 1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.167 -1.515 2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.116 -1.726 0.952 1.00 0.00 H new ATOM 1010 N LYS A 68 5.017 0.954 3.875 1.00 0.00 N ATOM 1011 CA LYS A 68 5.662 1.504 5.062 1.00 0.00 C ATOM 1012 C LYS A 68 6.988 0.801 5.335 1.00 0.00 C ATOM 1013 O LYS A 68 8.012 1.449 5.554 1.00 0.00 O ATOM 1014 CB LYS A 68 4.741 1.369 6.277 1.00 0.00 C ATOM 1015 CG LYS A 68 3.308 1.789 6.003 1.00 0.00 C ATOM 1016 CD LYS A 68 2.642 2.345 7.251 1.00 0.00 C ATOM 1017 CE LYS A 68 3.021 3.799 7.484 1.00 0.00 C ATOM 1018 NZ LYS A 68 2.220 4.413 8.579 1.00 0.00 N ATOM 0 H LYS A 68 4.027 0.741 3.994 1.00 0.00 H new ATOM 0 HA LYS A 68 5.861 2.560 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.749 0.333 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.138 1.973 7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.293 2.542 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.741 0.933 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.559 2.261 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.933 1.749 8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.081 3.863 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.872 4.365 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.509 5.404 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.210 4.375 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.381 3.889 9.463 1.00 0.00 H new ATOM 1032 N VAL A 69 6.963 -0.528 5.319 1.00 0.00 N ATOM 1033 CA VAL A 69 8.164 -1.318 5.562 1.00 0.00 C ATOM 1034 C VAL A 69 9.261 -0.972 4.562 1.00 0.00 C ATOM 1035 O VAL A 69 10.441 -0.924 4.910 1.00 0.00 O ATOM 1036 CB VAL A 69 7.868 -2.827 5.482 1.00 0.00 C ATOM 1037 CG1 VAL A 69 9.114 -3.634 5.812 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.722 -3.196 6.412 1.00 0.00 C ATOM 0 H VAL A 69 6.124 -1.080 5.140 1.00 0.00 H new ATOM 0 HA VAL A 69 8.505 -1.075 6.568 1.00 0.00 H new ATOM 0 HB VAL A 69 7.569 -3.067 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.885 -4.698 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.904 -3.391 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.447 -3.392 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.527 -4.266 6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.990 -2.942 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.827 -2.644 6.123 1.00 0.00 H new ATOM 1048 N CYS A 70 8.865 -0.732 3.317 1.00 0.00 N ATOM 1049 CA CYS A 70 9.814 -0.390 2.264 1.00 0.00 C ATOM 1050 C CYS A 70 10.288 1.054 2.407 1.00 0.00 C ATOM 1051 O CYS A 70 11.444 1.308 2.744 1.00 0.00 O ATOM 1052 CB CYS A 70 9.177 -0.595 0.888 1.00 0.00 C ATOM 1053 SG CYS A 70 9.380 -2.278 0.219 1.00 0.00 S ATOM 0 H CYS A 70 7.892 -0.768 3.012 1.00 0.00 H new ATOM 0 HA CYS A 70 10.677 -1.049 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.113 -0.368 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.612 0.118 0.188 1.00 0.00 H new ATOM 1058 N SER A 71 9.386 1.995 2.148 1.00 0.00 N ATOM 1059 CA SER A 71 9.712 3.413 2.244 1.00 0.00 C ATOM 1060 C SER A 71 10.295 3.745 3.614 1.00 0.00 C ATOM 1061 O SER A 71 11.277 4.478 3.723 1.00 0.00 O ATOM 1062 CB SER A 71 8.466 4.263 1.988 1.00 0.00 C ATOM 1063 OG SER A 71 8.813 5.615 1.743 1.00 0.00 O ATOM 0 H SER A 71 8.424 1.801 1.870 1.00 0.00 H new ATOM 0 HA SER A 71 10.461 3.640 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.919 3.864 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.799 4.205 2.849 1.00 0.00 H new ATOM 0 HG SER A 71 8.152 6.019 1.143 1.00 0.00 H new ATOM 1069 N GLY A 72 9.681 3.199 4.660 1.00 0.00 N ATOM 1070 CA GLY A 72 10.152 3.448 6.010 1.00 0.00 C ATOM 1071 C GLY A 72 11.192 2.440 6.456 1.00 0.00 C ATOM 1072 O GLY A 72 11.751 1.694 5.651 1.00 0.00 O ATOM 0 H GLY A 72 8.866 2.589 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.576 4.451 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.306 3.421 6.697 1.00 0.00 H new ATOM 1076 N PRO A 73 11.468 2.409 7.769 1.00 0.00 N ATOM 1077 CA PRO A 73 12.451 1.490 8.350 1.00 0.00 C ATOM 1078 C PRO A 73 11.980 0.040 8.316 1.00 0.00 C ATOM 1079 O PRO A 73 10.833 -0.242 7.968 1.00 0.00 O ATOM 1080 CB PRO A 73 12.579 1.977 9.796 1.00 0.00 C ATOM 1081 CG PRO A 73 11.284 2.654 10.084 1.00 0.00 C ATOM 1082 CD PRO A 73 10.841 3.270 8.786 1.00 0.00 C ATOM 0 HA PRO A 73 13.391 1.496 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.752 1.146 10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.418 2.663 9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.545 1.942 10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.404 3.414 10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.755 3.276 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.174 4.304 8.698 1.00 0.00 H new ATOM 1090 N SER A 74 12.872 -0.875 8.680 1.00 0.00 N ATOM 1091 CA SER A 74 12.548 -2.297 8.687 1.00 0.00 C ATOM 1092 C SER A 74 12.609 -2.861 10.104 1.00 0.00 C ATOM 1093 O SER A 74 13.168 -2.239 11.007 1.00 0.00 O ATOM 1094 CB SER A 74 13.510 -3.066 7.779 1.00 0.00 C ATOM 1095 OG SER A 74 13.144 -2.929 6.416 1.00 0.00 O ATOM 0 H SER A 74 13.824 -0.658 8.974 1.00 0.00 H new ATOM 0 HA SER A 74 11.532 -2.414 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.526 -2.698 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.511 -4.121 8.055 1.00 0.00 H new ATOM 0 HG SER A 74 13.775 -3.428 5.856 1.00 0.00 H new ATOM 1101 N SER A 75 12.030 -4.043 10.289 1.00 0.00 N ATOM 1102 CA SER A 75 12.015 -4.690 11.596 1.00 0.00 C ATOM 1103 C SER A 75 13.024 -5.833 11.648 1.00 0.00 C ATOM 1104 O SER A 75 13.435 -6.360 10.615 1.00 0.00 O ATOM 1105 CB SER A 75 10.613 -5.217 11.911 1.00 0.00 C ATOM 1106 OG SER A 75 10.556 -5.764 13.216 1.00 0.00 O ATOM 0 H SER A 75 11.565 -4.572 9.551 1.00 0.00 H new ATOM 0 HA SER A 75 12.294 -3.948 12.345 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.888 -4.408 11.820 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.335 -5.978 11.182 1.00 0.00 H new ATOM 0 HG SER A 75 9.650 -6.092 13.394 1.00 0.00 H new ATOM 1112 N GLY A 76 13.418 -6.211 12.860 1.00 0.00 N ATOM 1113 CA GLY A 76 14.376 -7.289 13.026 1.00 0.00 C ATOM 1114 C GLY A 76 15.423 -6.977 14.076 1.00 0.00 C ATOM 1115 O GLY A 76 15.747 -7.852 14.877 1.00 0.00 O ATOM 0 H GLY A 76 13.091 -5.790 13.730 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.848 -8.201 13.304 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.868 -7.484 12.073 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.861 -1.824 4.673 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 7.162 -2.885 -0.229 1.00 0.00 ZN