USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 763 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 30 TYR OH : rot -54:sc= 0.105 USER MOD Set 1.2: A 71 SER OG : rot -62:sc= 1.2 USER MOD Single : A 1 ASP N :NH3+ -171:sc= 0.067 (180deg=-0.0141) USER MOD Single : A 2 LYS NZ :NH3+ -117:sc= 1.24 (180deg=0.0167) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= -0.0063 (180deg=-0.106) USER MOD Single : A 15 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.2) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.14) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -81:sc= 1.06 USER MOD Single : A 21 THR OG1 : rot 170:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.5) USER MOD Single : A 27 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.76) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0.556 (180deg=0.549) USER MOD Single : A 33 THR OG1 : rot 95:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00226) USER MOD Single : A 49 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 68:sc= 1.42 USER MOD Single : A 57 ASN : amide:sc= -0.596 K(o=-0.6,f=-2.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0432) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -112:sc= 0.778 USER MOD Single : A 80 HIS : no HD1:sc= -0.787 K(o=-0.79,f=-2.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 29:sc= 0.0623 USER MOD Single : A 93 THR OG1 : rot -14:sc= 0.525 USER MOD Single : A 96 HEM CMA :methyl -30:sc= -0.108 (180deg=-0.216) USER MOD Single : A 96 HEM CMB :methyl 150:sc= -0.358 (180deg=-0.358) USER MOD Single : A 96 HEM CMC :methyl -30:sc= -1.22 (180deg=-4.22!) USER MOD Single : A 96 HEM CMD :methyl 150:sc= -2.19 (180deg=-2.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.526 -9.910 -14.375 1.00 0.00 N ATOM 2 CA ASP A 1 9.057 -9.709 -15.751 1.00 0.00 C ATOM 3 C ASP A 1 7.625 -10.182 -15.847 1.00 0.00 C ATOM 4 O ASP A 1 7.380 -11.382 -15.934 1.00 0.00 O ATOM 5 CB ASP A 1 9.989 -10.436 -16.724 1.00 0.00 C ATOM 6 CG ASP A 1 11.349 -9.759 -16.753 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.432 -8.683 -16.122 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.280 -10.370 -17.311 1.00 0.00 O ATOM 0 H1 ASP A 1 10.452 -9.452 -14.254 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.843 -9.492 -13.711 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.615 -10.928 -14.184 1.00 0.00 H new ATOM 0 HA ASP A 1 9.079 -8.654 -16.023 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.100 -11.478 -16.423 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.554 -10.437 -17.723 1.00 0.00 H new ATOM 15 N LYS A 2 6.685 -9.248 -15.706 1.00 0.00 N ATOM 16 CA LYS A 2 5.286 -9.578 -15.568 1.00 0.00 C ATOM 17 C LYS A 2 4.437 -8.336 -15.820 1.00 0.00 C ATOM 18 O LYS A 2 4.882 -7.223 -15.551 1.00 0.00 O ATOM 19 CB LYS A 2 5.024 -10.156 -14.160 1.00 0.00 C ATOM 20 CG LYS A 2 4.594 -11.629 -14.171 1.00 0.00 C ATOM 21 CD LYS A 2 3.286 -11.752 -14.953 1.00 0.00 C ATOM 22 CE LYS A 2 2.577 -13.096 -14.826 1.00 0.00 C ATOM 23 NZ LYS A 2 1.714 -13.282 -16.012 1.00 0.00 N ATOM 0 H LYS A 2 6.881 -8.247 -15.685 1.00 0.00 H new ATOM 0 HA LYS A 2 5.012 -10.334 -16.304 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.929 -10.055 -13.561 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.250 -9.564 -13.671 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.368 -12.245 -14.629 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.460 -11.991 -13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.607 -10.968 -14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.493 -11.567 -16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.305 -13.904 -14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.980 -13.125 -13.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.719 -13.332 -15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.840 -12.480 -16.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.975 -14.165 -16.496 1.00 0.00 H new ATOM 37 N ASP A 3 3.236 -8.584 -16.343 1.00 0.00 N ATOM 38 CA ASP A 3 2.128 -7.665 -16.533 1.00 0.00 C ATOM 39 C ASP A 3 1.700 -7.005 -15.215 1.00 0.00 C ATOM 40 O ASP A 3 2.221 -5.959 -14.837 1.00 0.00 O ATOM 41 CB ASP A 3 0.997 -8.454 -17.233 1.00 0.00 C ATOM 42 CG ASP A 3 0.750 -9.845 -16.627 1.00 0.00 C ATOM 43 OD1 ASP A 3 1.460 -10.809 -17.004 1.00 0.00 O ATOM 44 OD2 ASP A 3 -0.063 -9.923 -15.687 1.00 0.00 O ATOM 0 H ASP A 3 2.999 -9.520 -16.672 1.00 0.00 H new ATOM 0 HA ASP A 3 2.419 -6.826 -17.165 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.075 -7.875 -17.180 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.243 -8.566 -18.289 1.00 0.00 H new ATOM 49 N VAL A 4 0.728 -7.604 -14.532 1.00 0.00 N ATOM 50 CA VAL A 4 0.287 -7.226 -13.205 1.00 0.00 C ATOM 51 C VAL A 4 1.237 -7.919 -12.219 1.00 0.00 C ATOM 52 O VAL A 4 2.409 -8.140 -12.525 1.00 0.00 O ATOM 53 CB VAL A 4 -1.208 -7.595 -13.035 1.00 0.00 C ATOM 54 CG1 VAL A 4 -1.908 -6.742 -11.965 1.00 0.00 C ATOM 55 CG2 VAL A 4 -2.016 -7.375 -14.325 1.00 0.00 C ATOM 0 H VAL A 4 0.209 -8.397 -14.909 1.00 0.00 H new ATOM 0 HA VAL A 4 0.334 -6.153 -13.020 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.190 -8.647 -12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.953 -7.042 -11.887 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.416 -6.888 -11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.853 -5.690 -12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.057 -7.648 -14.153 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.959 -6.326 -14.615 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.605 -7.995 -15.122 1.00 0.00 H new ATOM 65 N LYS A 5 0.741 -8.288 -11.041 1.00 0.00 N ATOM 66 CA LYS A 5 1.501 -8.880 -9.950 1.00 0.00 C ATOM 67 C LYS A 5 0.492 -9.281 -8.874 1.00 0.00 C ATOM 68 O LYS A 5 0.342 -8.631 -7.844 1.00 0.00 O ATOM 69 CB LYS A 5 2.634 -7.950 -9.476 1.00 0.00 C ATOM 70 CG LYS A 5 4.042 -8.448 -9.835 1.00 0.00 C ATOM 71 CD LYS A 5 5.071 -7.400 -9.392 1.00 0.00 C ATOM 72 CE LYS A 5 6.465 -7.707 -9.948 1.00 0.00 C ATOM 73 NZ LYS A 5 7.511 -6.947 -9.231 1.00 0.00 N ATOM 0 H LYS A 5 -0.247 -8.176 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 5 2.036 -9.776 -10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.487 -6.962 -9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.566 -7.833 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.241 -9.401 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.118 -8.620 -10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.754 -6.413 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.112 -7.367 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.666 -8.775 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.497 -7.461 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.443 -7.177 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.332 -5.928 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.495 -7.201 -8.223 1.00 0.00 H new ATOM 87 N TYR A 6 -0.276 -10.324 -9.177 1.00 0.00 N ATOM 88 CA TYR A 6 -1.276 -10.860 -8.269 1.00 0.00 C ATOM 89 C TYR A 6 -0.581 -11.469 -7.043 1.00 0.00 C ATOM 90 O TYR A 6 0.116 -12.470 -7.195 1.00 0.00 O ATOM 91 CB TYR A 6 -2.145 -11.880 -9.018 1.00 0.00 C ATOM 92 CG TYR A 6 -2.824 -11.320 -10.252 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.966 -10.512 -10.113 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.310 -11.589 -11.535 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.602 -9.995 -11.252 1.00 0.00 C ATOM 96 CE2 TYR A 6 -2.933 -11.047 -12.672 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.072 -10.236 -12.529 1.00 0.00 C ATOM 98 OH TYR A 6 -4.669 -9.695 -13.627 1.00 0.00 O ATOM 0 H TYR A 6 -0.219 -10.821 -10.066 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.933 -10.068 -7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.524 -12.727 -9.310 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.906 -12.262 -8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.354 -10.289 -9.130 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.435 -12.213 -11.645 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.503 -9.409 -11.145 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.537 -11.254 -13.655 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.175 -9.959 -14.431 1.00 0.00 H new ATOM 108 N TYR A 7 -0.737 -10.879 -5.850 1.00 0.00 N ATOM 109 CA TYR A 7 -0.112 -11.357 -4.615 1.00 0.00 C ATOM 110 C TYR A 7 -1.147 -11.663 -3.532 1.00 0.00 C ATOM 111 O TYR A 7 -2.129 -10.936 -3.385 1.00 0.00 O ATOM 112 CB TYR A 7 0.849 -10.290 -4.107 1.00 0.00 C ATOM 113 CG TYR A 7 2.094 -10.106 -4.945 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.007 -11.169 -5.083 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.402 -8.846 -5.484 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.215 -10.978 -5.774 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.632 -8.643 -6.129 1.00 0.00 C ATOM 118 CZ TYR A 7 4.531 -9.711 -6.290 1.00 0.00 C ATOM 119 OH TYR A 7 5.725 -9.511 -6.923 1.00 0.00 O ATOM 0 H TYR A 7 -1.309 -10.045 -5.717 1.00 0.00 H new ATOM 0 HA TYR A 7 0.418 -12.283 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.319 -9.339 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.147 -10.544 -3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.778 -12.134 -4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.694 -8.035 -5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.899 -11.803 -5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.888 -7.663 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 7 6.012 -10.345 -7.351 1.00 0.00 H new ATOM 129 N THR A 8 -0.952 -12.761 -2.793 1.00 0.00 N ATOM 130 CA THR A 8 -1.899 -13.222 -1.789 1.00 0.00 C ATOM 131 C THR A 8 -1.798 -12.364 -0.532 1.00 0.00 C ATOM 132 O THR A 8 -0.773 -11.732 -0.270 1.00 0.00 O ATOM 133 CB THR A 8 -1.637 -14.699 -1.462 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.310 -14.848 -1.009 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.862 -15.597 -2.682 1.00 0.00 C ATOM 0 H THR A 8 -0.126 -13.353 -2.880 1.00 0.00 H new ATOM 0 HA THR A 8 -2.910 -13.128 -2.184 1.00 0.00 H new ATOM 0 HB THR A 8 -2.340 -15.003 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.140 -15.790 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.667 -16.635 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.893 -15.498 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.186 -15.298 -3.483 1.00 0.00 H new ATOM 143 N LEU A 9 -2.866 -12.365 0.268 1.00 0.00 N ATOM 144 CA LEU A 9 -2.941 -11.578 1.481 1.00 0.00 C ATOM 145 C LEU A 9 -1.786 -11.978 2.397 1.00 0.00 C ATOM 146 O LEU A 9 -1.062 -11.108 2.867 1.00 0.00 O ATOM 147 CB LEU A 9 -4.313 -11.763 2.148 1.00 0.00 C ATOM 148 CG LEU A 9 -5.490 -11.043 1.455 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.452 -9.522 1.648 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.610 -11.355 -0.040 1.00 0.00 C ATOM 0 H LEU A 9 -3.703 -12.918 0.084 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.844 -10.516 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.536 -12.829 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.248 -11.409 3.177 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.372 -11.444 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.303 -9.069 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.499 -9.289 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.527 -9.125 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.459 -10.814 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.697 -11.048 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.760 -12.426 -0.177 1.00 0.00 H new ATOM 162 N GLU A 10 -1.576 -13.285 2.606 1.00 0.00 N ATOM 163 CA GLU A 10 -0.424 -13.766 3.356 1.00 0.00 C ATOM 164 C GLU A 10 0.888 -13.245 2.778 1.00 0.00 C ATOM 165 O GLU A 10 1.690 -12.711 3.537 1.00 0.00 O ATOM 166 CB GLU A 10 -0.391 -15.298 3.453 1.00 0.00 C ATOM 167 CG GLU A 10 -1.019 -15.787 4.763 1.00 0.00 C ATOM 168 CD GLU A 10 -0.684 -17.254 4.998 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.459 -17.501 5.440 1.00 0.00 O ATOM 170 OE2 GLU A 10 -1.568 -18.088 4.718 1.00 0.00 O ATOM 0 H GLU A 10 -2.192 -14.022 2.264 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.534 -13.370 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.926 -15.730 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.640 -15.646 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.653 -15.186 5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.100 -15.656 4.726 1.00 0.00 H new ATOM 177 N GLU A 11 1.129 -13.403 1.469 1.00 0.00 N ATOM 178 CA GLU A 11 2.388 -12.956 0.880 1.00 0.00 C ATOM 179 C GLU A 11 2.615 -11.485 1.229 1.00 0.00 C ATOM 180 O GLU A 11 3.653 -11.115 1.775 1.00 0.00 O ATOM 181 CB GLU A 11 2.397 -13.186 -0.639 1.00 0.00 C ATOM 182 CG GLU A 11 3.803 -13.044 -1.239 1.00 0.00 C ATOM 183 CD GLU A 11 4.662 -14.273 -0.953 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.258 -14.322 0.147 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.685 -15.156 -1.837 1.00 0.00 O ATOM 0 H GLU A 11 0.477 -13.830 0.811 1.00 0.00 H new ATOM 0 HA GLU A 11 3.208 -13.543 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.010 -14.182 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.726 -12.472 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.726 -12.895 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.287 -12.158 -0.829 1.00 0.00 H new ATOM 192 N ILE A 12 1.611 -10.642 0.982 1.00 0.00 N ATOM 193 CA ILE A 12 1.730 -9.237 1.332 1.00 0.00 C ATOM 194 C ILE A 12 1.955 -9.071 2.845 1.00 0.00 C ATOM 195 O ILE A 12 2.800 -8.283 3.257 1.00 0.00 O ATOM 196 CB ILE A 12 0.549 -8.425 0.788 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.333 -8.613 -0.725 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.844 -6.948 1.058 1.00 0.00 C ATOM 199 CD1 ILE A 12 1.442 -7.997 -1.570 1.00 0.00 C ATOM 0 H ILE A 12 0.726 -10.906 0.550 1.00 0.00 H new ATOM 0 HA ILE A 12 2.614 -8.824 0.847 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.358 -8.770 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.265 -9.678 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.621 -8.167 -1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.022 -6.338 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.954 -6.789 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.767 -6.663 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.230 -8.164 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.495 -6.926 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.395 -8.460 -1.313 1.00 0.00 H new ATOM 211 N GLN A 13 1.280 -9.859 3.685 1.00 0.00 N ATOM 212 CA GLN A 13 1.484 -9.858 5.131 1.00 0.00 C ATOM 213 C GLN A 13 2.931 -10.201 5.535 1.00 0.00 C ATOM 214 O GLN A 13 3.312 -9.938 6.672 1.00 0.00 O ATOM 215 CB GLN A 13 0.478 -10.807 5.806 1.00 0.00 C ATOM 216 CG GLN A 13 0.067 -10.332 7.205 1.00 0.00 C ATOM 217 CD GLN A 13 -1.055 -9.298 7.163 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.837 -8.117 7.400 1.00 0.00 O ATOM 219 NE2 GLN A 13 -2.280 -9.741 6.888 1.00 0.00 N ATOM 0 H GLN A 13 0.570 -10.522 3.375 1.00 0.00 H new ATOM 0 HA GLN A 13 1.308 -8.841 5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.410 -10.894 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.916 -11.803 5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.255 -11.189 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.933 -9.904 7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.433 -10.731 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.066 -9.091 6.871 1.00 0.00 H new ATOM 228 N LYS A 14 3.744 -10.787 4.643 1.00 0.00 N ATOM 229 CA LYS A 14 5.147 -11.068 4.938 1.00 0.00 C ATOM 230 C LYS A 14 6.012 -9.810 4.788 1.00 0.00 C ATOM 231 O LYS A 14 7.150 -9.801 5.253 1.00 0.00 O ATOM 232 CB LYS A 14 5.697 -12.184 4.036 1.00 0.00 C ATOM 233 CG LYS A 14 4.973 -13.531 4.148 1.00 0.00 C ATOM 234 CD LYS A 14 5.181 -14.215 5.510 1.00 0.00 C ATOM 235 CE LYS A 14 5.096 -15.744 5.378 1.00 0.00 C ATOM 236 NZ LYS A 14 6.300 -16.306 4.727 1.00 0.00 N ATOM 0 H LYS A 14 3.448 -11.074 3.710 1.00 0.00 H new ATOM 0 HA LYS A 14 5.192 -11.403 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.648 -11.849 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.750 -12.335 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.906 -13.378 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.326 -14.193 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.153 -13.935 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.427 -13.865 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.976 -16.188 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.212 -16.010 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.338 -17.332 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.259 -16.123 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.150 -15.859 5.125 1.00 0.00 H new ATOM 250 N HIS A 15 5.507 -8.761 4.126 1.00 0.00 N ATOM 251 CA HIS A 15 6.199 -7.480 4.051 1.00 0.00 C ATOM 252 C HIS A 15 6.160 -6.774 5.414 1.00 0.00 C ATOM 253 O HIS A 15 5.708 -7.344 6.404 1.00 0.00 O ATOM 254 CB HIS A 15 5.595 -6.639 2.917 1.00 0.00 C ATOM 255 CG HIS A 15 6.211 -6.940 1.582 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.189 -6.186 0.984 1.00 0.00 N ATOM 257 CD2 HIS A 15 5.982 -8.039 0.797 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.555 -6.825 -0.141 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.844 -7.954 -0.300 1.00 0.00 N ATOM 0 H HIS A 15 4.614 -8.781 3.633 1.00 0.00 H new ATOM 0 HA HIS A 15 7.252 -7.632 3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.522 -6.822 2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.728 -5.581 3.144 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.568 -5.304 1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.268 -8.826 0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.317 -6.478 -0.824 1.00 0.00 H new ATOM 267 N LYS A 16 6.668 -5.537 5.482 1.00 0.00 N ATOM 268 CA LYS A 16 6.871 -4.824 6.737 1.00 0.00 C ATOM 269 C LYS A 16 7.887 -5.566 7.614 1.00 0.00 C ATOM 270 O LYS A 16 7.668 -5.747 8.815 1.00 0.00 O ATOM 271 CB LYS A 16 5.553 -4.578 7.489 1.00 0.00 C ATOM 272 CG LYS A 16 5.740 -3.545 8.613 1.00 0.00 C ATOM 273 CD LYS A 16 4.688 -3.706 9.719 1.00 0.00 C ATOM 274 CE LYS A 16 5.316 -4.132 11.053 1.00 0.00 C ATOM 275 NZ LYS A 16 6.099 -5.381 10.984 1.00 0.00 N ATOM 0 H LYS A 16 6.950 -5.004 4.659 1.00 0.00 H new ATOM 0 HA LYS A 16 7.275 -3.841 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.793 -4.227 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.190 -5.516 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.737 -3.651 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.678 -2.540 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.156 -2.764 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.950 -4.448 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.963 -3.330 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.524 -4.254 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.503 -5.590 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.479 -6.163 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.868 -5.271 10.292 1.00 0.00 H new ATOM 289 N ASP A 17 9.032 -5.912 7.031 1.00 0.00 N ATOM 290 CA ASP A 17 10.217 -6.274 7.788 1.00 0.00 C ATOM 291 C ASP A 17 11.136 -5.052 7.725 1.00 0.00 C ATOM 292 O ASP A 17 10.885 -4.050 8.408 1.00 0.00 O ATOM 293 CB ASP A 17 10.801 -7.577 7.220 1.00 0.00 C ATOM 294 CG ASP A 17 12.035 -8.033 7.987 1.00 0.00 C ATOM 295 OD1 ASP A 17 13.085 -7.387 7.787 1.00 0.00 O ATOM 296 OD2 ASP A 17 11.904 -9.008 8.756 1.00 0.00 O ATOM 0 H ASP A 17 9.160 -5.948 6.020 1.00 0.00 H new ATOM 0 HA ASP A 17 10.032 -6.499 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.043 -8.359 7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.060 -7.431 6.171 1.00 0.00 H new ATOM 301 N SER A 18 12.127 -5.085 6.842 1.00 0.00 N ATOM 302 CA SER A 18 13.139 -4.067 6.662 1.00 0.00 C ATOM 303 C SER A 18 13.169 -3.678 5.186 1.00 0.00 C ATOM 304 O SER A 18 13.296 -4.545 4.322 1.00 0.00 O ATOM 305 CB SER A 18 14.478 -4.642 7.130 1.00 0.00 C ATOM 306 OG SER A 18 15.452 -3.617 7.183 1.00 0.00 O ATOM 0 H SER A 18 12.247 -5.869 6.200 1.00 0.00 H new ATOM 0 HA SER A 18 12.927 -3.171 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.364 -5.098 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.803 -5.429 6.450 1.00 0.00 H new ATOM 0 HG SER A 18 16.306 -3.992 7.485 1.00 0.00 H new ATOM 312 N LYS A 19 13.018 -2.381 4.898 1.00 0.00 N ATOM 313 CA LYS A 19 13.214 -1.811 3.572 1.00 0.00 C ATOM 314 C LYS A 19 12.316 -2.508 2.542 1.00 0.00 C ATOM 315 O LYS A 19 12.757 -2.867 1.454 1.00 0.00 O ATOM 316 CB LYS A 19 14.720 -1.849 3.238 1.00 0.00 C ATOM 317 CG LYS A 19 15.187 -0.627 2.437 1.00 0.00 C ATOM 318 CD LYS A 19 16.724 -0.592 2.414 1.00 0.00 C ATOM 319 CE LYS A 19 17.247 0.730 1.834 1.00 0.00 C ATOM 320 NZ LYS A 19 18.721 0.825 1.918 1.00 0.00 N ATOM 0 H LYS A 19 12.751 -1.689 5.598 1.00 0.00 H new ATOM 0 HA LYS A 19 12.906 -0.766 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.291 -1.909 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.938 -2.754 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.798 -0.674 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.798 0.287 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.107 -0.724 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.099 -1.425 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.936 0.818 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.798 1.565 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.034 1.732 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.016 0.767 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.150 0.043 1.383 1.00 0.00 H new ATOM 334 N SER A 20 11.045 -2.696 2.912 1.00 0.00 N ATOM 335 CA SER A 20 10.082 -3.469 2.138 1.00 0.00 C ATOM 336 C SER A 20 8.651 -3.150 2.596 1.00 0.00 C ATOM 337 O SER A 20 7.882 -4.037 2.982 1.00 0.00 O ATOM 338 CB SER A 20 10.438 -4.961 2.274 1.00 0.00 C ATOM 339 OG SER A 20 10.701 -5.294 3.627 1.00 0.00 O ATOM 0 H SER A 20 10.656 -2.308 3.771 1.00 0.00 H new ATOM 0 HA SER A 20 10.128 -3.203 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.617 -5.571 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.311 -5.189 1.662 1.00 0.00 H new ATOM 0 HG SER A 20 11.621 -5.042 3.853 1.00 0.00 H new ATOM 345 N THR A 21 8.293 -1.866 2.549 1.00 0.00 N ATOM 346 CA THR A 21 7.025 -1.338 2.992 1.00 0.00 C ATOM 347 C THR A 21 6.032 -1.355 1.830 1.00 0.00 C ATOM 348 O THR A 21 5.984 -0.440 1.004 1.00 0.00 O ATOM 349 CB THR A 21 7.257 0.067 3.551 1.00 0.00 C ATOM 350 OG1 THR A 21 8.154 -0.009 4.644 1.00 0.00 O ATOM 351 CG2 THR A 21 5.925 0.644 4.008 1.00 0.00 C ATOM 0 H THR A 21 8.914 -1.144 2.183 1.00 0.00 H new ATOM 0 HA THR A 21 6.595 -1.950 3.785 1.00 0.00 H new ATOM 0 HB THR A 21 7.685 0.711 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.432 0.895 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.081 1.646 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.240 0.694 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.499 0.006 4.782 1.00 0.00 H new ATOM 359 N TRP A 22 5.234 -2.419 1.791 1.00 0.00 N ATOM 360 CA TRP A 22 4.132 -2.590 0.863 1.00 0.00 C ATOM 361 C TRP A 22 2.809 -2.393 1.586 1.00 0.00 C ATOM 362 O TRP A 22 2.741 -2.559 2.806 1.00 0.00 O ATOM 363 CB TRP A 22 4.192 -3.991 0.288 1.00 0.00 C ATOM 364 CG TRP A 22 5.247 -4.237 -0.737 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.336 -3.492 -1.025 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.229 -5.297 -1.716 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.961 -4.009 -2.142 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.313 -5.128 -2.616 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.360 -6.371 -1.935 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.506 -5.983 -3.709 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.551 -7.254 -3.009 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.628 -7.062 -3.894 1.00 0.00 C ATOM 0 H TRP A 22 5.345 -3.208 2.427 1.00 0.00 H new ATOM 0 HA TRP A 22 4.209 -1.854 0.063 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.342 -4.692 1.109 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.223 -4.221 -0.155 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.666 -2.627 -0.469 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.800 -3.611 -2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.527 -6.524 -1.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.319 -5.814 -4.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.872 -8.081 -3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.779 -7.746 -4.716 1.00 0.00 H new ATOM 383 N VAL A 23 1.761 -2.079 0.824 1.00 0.00 N ATOM 384 CA VAL A 23 0.404 -1.929 1.321 1.00 0.00 C ATOM 385 C VAL A 23 -0.598 -2.326 0.233 1.00 0.00 C ATOM 386 O VAL A 23 -0.277 -2.317 -0.956 1.00 0.00 O ATOM 387 CB VAL A 23 0.147 -0.494 1.805 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.712 -0.205 3.198 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.677 0.553 0.833 1.00 0.00 C ATOM 0 H VAL A 23 1.840 -1.919 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 23 0.274 -2.592 2.176 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.939 -0.422 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.492 0.827 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.255 -0.879 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.791 -0.357 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.469 1.550 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.753 0.427 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.188 0.433 -0.134 1.00 0.00 H new ATOM 399 N ILE A 24 -1.817 -2.676 0.657 1.00 0.00 N ATOM 400 CA ILE A 24 -2.914 -3.113 -0.195 1.00 0.00 C ATOM 401 C ILE A 24 -4.012 -2.061 -0.117 1.00 0.00 C ATOM 402 O ILE A 24 -4.817 -2.076 0.810 1.00 0.00 O ATOM 403 CB ILE A 24 -3.406 -4.518 0.213 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.816 -4.651 1.686 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.303 -5.534 -0.081 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.265 -5.122 1.836 1.00 0.00 C ATOM 0 H ILE A 24 -2.071 -2.660 1.645 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.585 -3.206 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.306 -4.703 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.152 -5.356 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.693 -3.690 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.641 -6.530 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.070 -5.520 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.410 -5.277 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.514 -5.203 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.932 -4.403 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.382 -6.096 1.361 1.00 0.00 H new ATOM 418 N LEU A 25 -4.000 -1.088 -1.031 1.00 0.00 N ATOM 419 CA LEU A 25 -4.961 0.000 -0.973 1.00 0.00 C ATOM 420 C LEU A 25 -6.102 -0.324 -1.927 1.00 0.00 C ATOM 421 O LEU A 25 -6.049 0.000 -3.111 1.00 0.00 O ATOM 422 CB LEU A 25 -4.327 1.373 -1.227 1.00 0.00 C ATOM 423 CG LEU A 25 -3.157 1.733 -0.294 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.168 3.241 -0.070 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.218 1.136 1.114 1.00 0.00 C ATOM 0 H LEU A 25 -3.342 -1.036 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.357 0.081 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.974 1.408 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.099 2.136 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.276 1.334 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.345 3.517 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.053 3.752 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.113 3.534 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.345 1.455 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.123 1.479 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.230 0.048 1.048 1.00 0.00 H new ATOM 437 N HIS A 26 -7.150 -0.949 -1.390 1.00 0.00 N ATOM 438 CA HIS A 26 -8.313 -1.398 -2.137 1.00 0.00 C ATOM 439 C HIS A 26 -7.874 -2.535 -3.067 1.00 0.00 C ATOM 440 O HIS A 26 -6.906 -3.242 -2.779 1.00 0.00 O ATOM 441 CB HIS A 26 -9.013 -0.230 -2.869 1.00 0.00 C ATOM 442 CG HIS A 26 -9.357 0.968 -2.012 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.631 1.426 -1.754 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.484 1.893 -1.501 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.519 2.584 -1.080 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.228 2.906 -0.903 1.00 0.00 N ATOM 0 H HIS A 26 -7.210 -1.160 -0.394 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.073 -1.785 -1.458 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.370 0.102 -3.684 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.931 -0.606 -3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.406 1.844 -1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.353 3.174 -0.729 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.864 3.730 -0.425 1.00 0.00 H new ATOM 454 N HIS A 27 -8.562 -2.723 -4.194 1.00 0.00 N ATOM 455 CA HIS A 27 -8.241 -3.774 -5.147 1.00 0.00 C ATOM 456 C HIS A 27 -7.037 -3.361 -6.000 1.00 0.00 C ATOM 457 O HIS A 27 -7.201 -3.195 -7.213 1.00 0.00 O ATOM 458 CB HIS A 27 -9.461 -4.064 -6.034 1.00 0.00 C ATOM 459 CG HIS A 27 -10.680 -4.579 -5.316 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.294 -5.788 -5.559 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.522 -3.845 -4.521 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.476 -5.777 -4.926 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.661 -4.614 -4.279 1.00 0.00 N ATOM 0 H HIS A 27 -9.358 -2.147 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.982 -4.683 -4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.731 -3.148 -6.560 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.172 -4.793 -6.791 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.337 -2.848 -4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.184 -6.593 -4.935 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.472 -4.346 -3.722 1.00 0.00 H new ATOM 471 N LYS A 28 -5.866 -3.207 -5.362 1.00 0.00 N ATOM 472 CA LYS A 28 -4.533 -3.068 -5.946 1.00 0.00 C ATOM 473 C LYS A 28 -3.475 -2.997 -4.840 1.00 0.00 C ATOM 474 O LYS A 28 -3.754 -2.511 -3.743 1.00 0.00 O ATOM 475 CB LYS A 28 -4.428 -1.873 -6.917 1.00 0.00 C ATOM 476 CG LYS A 28 -4.695 -2.326 -8.364 1.00 0.00 C ATOM 477 CD LYS A 28 -5.775 -1.517 -9.102 1.00 0.00 C ATOM 478 CE LYS A 28 -6.555 -2.425 -10.076 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.005 -2.378 -9.828 1.00 0.00 N ATOM 0 H LYS A 28 -5.830 -3.175 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.345 -3.957 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.145 -1.103 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.436 -1.427 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.764 -2.263 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.990 -3.375 -8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.461 -1.072 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.313 -0.697 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.352 -2.116 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.203 -3.452 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.487 -3.052 -10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.196 -2.631 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.358 -1.418 -10.014 1.00 0.00 H new ATOM 493 N VAL A 29 -2.274 -3.507 -5.136 1.00 0.00 N ATOM 494 CA VAL A 29 -1.139 -3.482 -4.224 1.00 0.00 C ATOM 495 C VAL A 29 -0.186 -2.373 -4.660 1.00 0.00 C ATOM 496 O VAL A 29 0.043 -2.171 -5.859 1.00 0.00 O ATOM 497 CB VAL A 29 -0.440 -4.854 -4.142 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.626 -4.841 -3.036 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.451 -5.956 -3.825 1.00 0.00 C ATOM 0 H VAL A 29 -2.067 -3.953 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.490 -3.270 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 29 0.025 -5.050 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.112 -5.815 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.369 -4.075 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.154 -4.624 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.938 -6.916 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.930 -5.746 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.208 -5.992 -4.609 1.00 0.00 H new ATOM 509 N TYR A 30 0.354 -1.660 -3.670 1.00 0.00 N ATOM 510 CA TYR A 30 1.243 -0.527 -3.851 1.00 0.00 C ATOM 511 C TYR A 30 2.505 -0.741 -3.012 1.00 0.00 C ATOM 512 O TYR A 30 2.406 -1.128 -1.844 1.00 0.00 O ATOM 513 CB TYR A 30 0.493 0.750 -3.452 1.00 0.00 C ATOM 514 CG TYR A 30 -0.762 0.991 -4.269 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.672 1.670 -5.493 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.987 0.419 -3.886 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.809 1.824 -6.304 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.128 0.596 -4.688 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.049 1.349 -5.868 1.00 0.00 C ATOM 520 OH TYR A 30 -4.174 1.705 -6.550 1.00 0.00 O ATOM 0 H TYR A 30 0.174 -1.869 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 30 1.552 -0.429 -4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.225 0.691 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.160 1.605 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.276 2.076 -5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.052 -0.157 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.725 2.310 -7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.067 0.151 -4.395 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.221 2.682 -6.616 1.00 0.00 H new ATOM 530 N ASP A 31 3.678 -0.498 -3.610 1.00 0.00 N ATOM 531 CA ASP A 31 4.955 -0.475 -2.900 1.00 0.00 C ATOM 532 C ASP A 31 5.268 0.980 -2.618 1.00 0.00 C ATOM 533 O ASP A 31 5.209 1.808 -3.526 1.00 0.00 O ATOM 534 CB ASP A 31 6.086 -1.107 -3.720 1.00 0.00 C ATOM 535 CG ASP A 31 7.417 -1.177 -2.976 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.580 -0.471 -1.957 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.243 -2.026 -3.374 1.00 0.00 O ATOM 0 H ASP A 31 3.764 -0.311 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 31 4.878 -1.060 -1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.791 -2.114 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.222 -0.534 -4.637 1.00 0.00 H new ATOM 542 N LEU A 32 5.566 1.293 -1.361 1.00 0.00 N ATOM 543 CA LEU A 32 5.839 2.644 -0.927 1.00 0.00 C ATOM 544 C LEU A 32 7.181 2.688 -0.174 1.00 0.00 C ATOM 545 O LEU A 32 7.480 3.664 0.513 1.00 0.00 O ATOM 546 CB LEU A 32 4.635 3.087 -0.090 1.00 0.00 C ATOM 547 CG LEU A 32 3.267 2.971 -0.803 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.172 3.293 0.199 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.067 3.883 -2.027 1.00 0.00 C ATOM 0 H LEU A 32 5.623 0.602 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 32 5.955 3.341 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.605 2.490 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.783 4.123 0.213 1.00 0.00 H new ATOM 0 HG LEU A 32 3.228 1.949 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.200 3.216 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.219 2.588 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.310 4.307 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.074 3.717 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.163 4.925 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.821 3.653 -2.779 1.00 0.00 H new ATOM 561 N THR A 33 8.031 1.672 -0.364 1.00 0.00 N ATOM 562 CA THR A 33 9.363 1.544 0.223 1.00 0.00 C ATOM 563 C THR A 33 10.251 2.750 -0.091 1.00 0.00 C ATOM 564 O THR A 33 11.077 3.132 0.735 1.00 0.00 O ATOM 565 CB THR A 33 9.978 0.219 -0.252 1.00 0.00 C ATOM 566 OG1 THR A 33 9.118 -0.833 0.130 1.00 0.00 O ATOM 567 CG2 THR A 33 11.355 -0.055 0.352 1.00 0.00 C ATOM 0 H THR A 33 7.794 0.880 -0.961 1.00 0.00 H new ATOM 0 HA THR A 33 9.281 1.528 1.310 1.00 0.00 H new ATOM 0 HB THR A 33 10.099 0.288 -1.333 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.515 -1.048 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.734 -1.005 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.041 0.745 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.273 -0.100 1.438 1.00 0.00 H new ATOM 575 N LYS A 34 10.088 3.356 -1.271 1.00 0.00 N ATOM 576 CA LYS A 34 10.772 4.586 -1.647 1.00 0.00 C ATOM 577 C LYS A 34 9.813 5.774 -1.723 1.00 0.00 C ATOM 578 O LYS A 34 10.116 6.768 -2.378 1.00 0.00 O ATOM 579 CB LYS A 34 11.514 4.363 -2.969 1.00 0.00 C ATOM 580 CG LYS A 34 12.823 3.594 -2.736 1.00 0.00 C ATOM 581 CD LYS A 34 13.904 4.040 -3.742 1.00 0.00 C ATOM 582 CE LYS A 34 15.287 4.144 -3.088 1.00 0.00 C ATOM 583 NZ LYS A 34 15.772 2.839 -2.605 1.00 0.00 N ATOM 0 H LYS A 34 9.468 2.997 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 34 11.497 4.838 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.878 3.808 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.729 5.324 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.174 3.764 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.645 2.523 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.946 3.330 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.629 5.006 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.998 4.551 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.241 4.844 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.717 2.953 -2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.117 2.469 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.825 2.172 -3.401 1.00 0.00 H new ATOM 597 N PHE A 35 8.680 5.696 -1.026 1.00 0.00 N ATOM 598 CA PHE A 35 7.737 6.799 -0.918 1.00 0.00 C ATOM 599 C PHE A 35 7.636 7.298 0.526 1.00 0.00 C ATOM 600 O PHE A 35 6.991 8.306 0.778 1.00 0.00 O ATOM 601 CB PHE A 35 6.385 6.352 -1.475 1.00 0.00 C ATOM 602 CG PHE A 35 5.296 7.407 -1.484 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.511 8.653 -2.100 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.073 7.153 -0.842 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.483 9.611 -2.136 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.030 8.085 -0.919 1.00 0.00 C ATOM 607 CZ PHE A 35 3.233 9.315 -1.569 1.00 0.00 C ATOM 0 H PHE A 35 8.393 4.859 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 35 8.090 7.645 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.532 5.999 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.036 5.501 -0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.469 8.874 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.936 6.236 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.654 10.572 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.070 7.859 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.428 10.032 -1.632 1.00 0.00 H new ATOM 617 N LEU A 36 8.286 6.622 1.478 1.00 0.00 N ATOM 618 CA LEU A 36 8.192 6.918 2.898 1.00 0.00 C ATOM 619 C LEU A 36 8.389 8.408 3.198 1.00 0.00 C ATOM 620 O LEU A 36 7.474 9.070 3.682 1.00 0.00 O ATOM 621 CB LEU A 36 9.216 6.051 3.642 1.00 0.00 C ATOM 622 CG LEU A 36 8.886 4.552 3.675 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.833 3.823 4.638 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.436 4.276 4.084 1.00 0.00 C ATOM 0 H LEU A 36 8.904 5.838 1.271 1.00 0.00 H new ATOM 0 HA LEU A 36 7.186 6.680 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.192 6.184 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.301 6.413 4.667 1.00 0.00 H new ATOM 0 HG LEU A 36 9.019 4.178 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.589 2.761 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.863 3.955 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.720 4.235 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.258 3.201 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.256 4.680 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.761 4.751 3.373 1.00 0.00 H new ATOM 636 N GLU A 37 9.581 8.937 2.909 1.00 0.00 N ATOM 637 CA GLU A 37 9.894 10.333 3.191 1.00 0.00 C ATOM 638 C GLU A 37 9.099 11.260 2.260 1.00 0.00 C ATOM 639 O GLU A 37 8.605 12.305 2.676 1.00 0.00 O ATOM 640 CB GLU A 37 11.411 10.558 3.058 1.00 0.00 C ATOM 641 CG GLU A 37 11.927 11.546 4.111 1.00 0.00 C ATOM 642 CD GLU A 37 12.059 10.880 5.475 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.068 10.163 5.649 1.00 0.00 O ATOM 644 OE2 GLU A 37 11.146 11.085 6.303 1.00 0.00 O ATOM 0 H GLU A 37 10.344 8.415 2.479 1.00 0.00 H new ATOM 0 HA GLU A 37 9.602 10.572 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.932 9.606 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.638 10.936 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.895 11.940 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.246 12.394 4.182 1.00 0.00 H new ATOM 651 N GLU A 38 8.994 10.868 0.986 1.00 0.00 N ATOM 652 CA GLU A 38 8.293 11.619 -0.050 1.00 0.00 C ATOM 653 C GLU A 38 6.839 11.905 0.337 1.00 0.00 C ATOM 654 O GLU A 38 6.342 12.997 0.075 1.00 0.00 O ATOM 655 CB GLU A 38 8.345 10.830 -1.367 1.00 0.00 C ATOM 656 CG GLU A 38 9.559 11.184 -2.238 1.00 0.00 C ATOM 657 CD GLU A 38 9.228 12.285 -3.243 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.277 12.063 -4.026 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.931 13.316 -3.217 1.00 0.00 O ATOM 0 H GLU A 38 9.405 10.000 0.643 1.00 0.00 H new ATOM 0 HA GLU A 38 8.790 12.581 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.365 9.763 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.433 11.020 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.382 11.507 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.898 10.295 -2.770 1.00 0.00 H new ATOM 666 N HIS A 39 6.144 10.912 0.903 1.00 0.00 N ATOM 667 CA HIS A 39 4.727 10.971 1.229 1.00 0.00 C ATOM 668 C HIS A 39 4.404 12.262 1.986 1.00 0.00 C ATOM 669 O HIS A 39 4.795 12.383 3.150 1.00 0.00 O ATOM 670 CB HIS A 39 4.333 9.730 2.040 1.00 0.00 C ATOM 671 CG HIS A 39 2.901 9.703 2.522 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.517 9.470 3.818 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.757 9.802 1.774 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.180 9.428 3.853 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.662 9.611 2.627 1.00 0.00 N ATOM 0 H HIS A 39 6.572 10.020 1.152 1.00 0.00 H new ATOM 0 HA HIS A 39 4.144 10.978 0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.510 8.845 1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.992 9.657 2.905 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.141 9.350 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.708 9.994 0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.596 9.268 4.747 1.00 0.00 H new ATOM 683 N PRO A 40 3.695 13.222 1.360 1.00 0.00 N ATOM 684 CA PRO A 40 3.397 14.509 1.963 1.00 0.00 C ATOM 685 C PRO A 40 2.356 14.303 3.062 1.00 0.00 C ATOM 686 O PRO A 40 1.162 14.516 2.872 1.00 0.00 O ATOM 687 CB PRO A 40 2.924 15.414 0.821 1.00 0.00 C ATOM 688 CG PRO A 40 2.389 14.442 -0.225 1.00 0.00 C ATOM 689 CD PRO A 40 3.157 13.143 0.009 1.00 0.00 C ATOM 0 HA PRO A 40 4.254 14.979 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.151 16.106 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.741 16.016 0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.316 14.291 -0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.552 14.820 -1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.501 12.279 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.957 13.028 -0.722 1.00 0.00 H new ATOM 697 N GLY A 41 2.838 13.831 4.208 1.00 0.00 N ATOM 698 CA GLY A 41 2.030 13.312 5.292 1.00 0.00 C ATOM 699 C GLY A 41 2.919 12.555 6.275 1.00 0.00 C ATOM 700 O GLY A 41 2.725 12.681 7.482 1.00 0.00 O ATOM 0 H GLY A 41 3.838 13.801 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.520 14.129 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.258 12.650 4.899 1.00 0.00 H new ATOM 704 N GLY A 42 3.911 11.797 5.779 1.00 0.00 N ATOM 705 CA GLY A 42 4.893 11.175 6.656 1.00 0.00 C ATOM 706 C GLY A 42 5.297 9.765 6.283 1.00 0.00 C ATOM 707 O GLY A 42 4.581 9.071 5.568 1.00 0.00 O ATOM 0 H GLY A 42 4.046 11.607 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.787 11.798 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.494 11.164 7.670 1.00 0.00 H new ATOM 711 N GLU A 43 6.389 9.305 6.893 1.00 0.00 N ATOM 712 CA GLU A 43 6.791 7.919 6.804 1.00 0.00 C ATOM 713 C GLU A 43 5.991 7.090 7.827 1.00 0.00 C ATOM 714 O GLU A 43 5.463 6.035 7.492 1.00 0.00 O ATOM 715 CB GLU A 43 8.311 7.841 7.058 1.00 0.00 C ATOM 716 CG GLU A 43 8.873 6.414 7.204 1.00 0.00 C ATOM 717 CD GLU A 43 8.858 5.835 8.615 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.756 6.631 9.570 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.970 4.592 8.702 1.00 0.00 O ATOM 0 H GLU A 43 7.010 9.885 7.457 1.00 0.00 H new ATOM 0 HA GLU A 43 6.583 7.508 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.828 8.337 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.542 8.401 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.302 5.751 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.901 6.410 6.841 1.00 0.00 H new ATOM 726 N GLU A 44 5.885 7.549 9.078 1.00 0.00 N ATOM 727 CA GLU A 44 5.465 6.697 10.186 1.00 0.00 C ATOM 728 C GLU A 44 4.066 6.129 9.947 1.00 0.00 C ATOM 729 O GLU A 44 3.902 4.914 9.894 1.00 0.00 O ATOM 730 CB GLU A 44 5.591 7.438 11.525 1.00 0.00 C ATOM 731 CG GLU A 44 5.614 6.449 12.701 1.00 0.00 C ATOM 732 CD GLU A 44 5.691 7.159 14.049 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.519 8.089 14.157 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.916 6.766 14.945 1.00 0.00 O ATOM 0 H GLU A 44 6.087 8.512 9.346 1.00 0.00 H new ATOM 0 HA GLU A 44 6.137 5.841 10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.503 8.036 11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.756 8.129 11.642 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.718 5.829 12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.468 5.781 12.595 1.00 0.00 H new ATOM 741 N VAL A 45 3.059 6.983 9.721 1.00 0.00 N ATOM 742 CA VAL A 45 1.717 6.553 9.405 1.00 0.00 C ATOM 743 C VAL A 45 1.697 5.588 8.212 1.00 0.00 C ATOM 744 O VAL A 45 0.879 4.678 8.150 1.00 0.00 O ATOM 745 CB VAL A 45 0.864 7.815 9.204 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.227 8.603 7.934 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.607 7.469 9.219 1.00 0.00 C ATOM 0 H VAL A 45 3.168 7.997 9.756 1.00 0.00 H new ATOM 0 HA VAL A 45 1.289 5.972 10.222 1.00 0.00 H new ATOM 0 HB VAL A 45 1.087 8.474 10.043 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.586 9.481 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.269 8.918 7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.084 7.969 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.195 8.375 9.075 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.823 6.765 8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.865 7.017 10.177 1.00 0.00 H new ATOM 757 N LEU A 46 2.625 5.749 7.270 1.00 0.00 N ATOM 758 CA LEU A 46 2.752 4.870 6.124 1.00 0.00 C ATOM 759 C LEU A 46 3.265 3.496 6.580 1.00 0.00 C ATOM 760 O LEU A 46 2.734 2.461 6.178 1.00 0.00 O ATOM 761 CB LEU A 46 3.685 5.582 5.125 1.00 0.00 C ATOM 762 CG LEU A 46 3.564 5.190 3.660 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.911 3.713 3.484 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.192 5.561 3.089 1.00 0.00 C ATOM 0 H LEU A 46 3.313 6.502 7.287 1.00 0.00 H new ATOM 0 HA LEU A 46 1.799 4.676 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.508 6.655 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.714 5.405 5.438 1.00 0.00 H new ATOM 0 HG LEU A 46 4.286 5.763 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.822 3.441 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.933 3.537 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.226 3.105 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.142 5.266 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.413 5.044 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.043 6.638 3.170 1.00 0.00 H new ATOM 776 N ARG A 47 4.293 3.484 7.431 1.00 0.00 N ATOM 777 CA ARG A 47 4.925 2.266 7.935 1.00 0.00 C ATOM 778 C ARG A 47 4.106 1.574 9.033 1.00 0.00 C ATOM 779 O ARG A 47 4.332 0.394 9.296 1.00 0.00 O ATOM 780 CB ARG A 47 6.360 2.591 8.392 1.00 0.00 C ATOM 781 CG ARG A 47 7.458 1.762 7.706 1.00 0.00 C ATOM 782 CD ARG A 47 7.721 0.388 8.343 1.00 0.00 C ATOM 783 NE ARG A 47 9.153 0.043 8.217 1.00 0.00 N ATOM 784 CZ ARG A 47 9.703 -1.167 8.410 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.942 -2.220 8.697 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.022 -1.352 8.320 1.00 0.00 N ATOM 0 H ARG A 47 4.716 4.337 7.795 1.00 0.00 H new ATOM 0 HA ARG A 47 4.967 1.542 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.554 3.648 8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.427 2.437 9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.184 1.616 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.385 2.335 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.432 0.403 9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.110 -0.372 7.856 1.00 0.00 H new ATOM 0 HE ARG A 47 9.786 0.799 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.930 -2.113 8.772 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.370 -3.134 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.634 -0.566 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.418 -2.280 8.470 1.00 0.00 H new ATOM 800 N GLU A 48 3.180 2.311 9.654 1.00 0.00 N ATOM 801 CA GLU A 48 2.364 1.930 10.801 1.00 0.00 C ATOM 802 C GLU A 48 1.731 0.561 10.607 1.00 0.00 C ATOM 803 O GLU A 48 2.016 -0.371 11.352 1.00 0.00 O ATOM 804 CB GLU A 48 1.293 3.013 11.045 1.00 0.00 C ATOM 805 CG GLU A 48 1.450 3.794 12.354 1.00 0.00 C ATOM 806 CD GLU A 48 0.784 3.079 13.521 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.440 3.288 13.675 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.501 2.337 14.224 1.00 0.00 O ATOM 0 H GLU A 48 2.969 3.259 9.342 1.00 0.00 H new ATOM 0 HA GLU A 48 3.005 1.857 11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.314 3.718 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.311 2.540 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.509 3.933 12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.015 4.787 12.240 1.00 0.00 H new ATOM 815 N GLN A 49 0.869 0.445 9.595 1.00 0.00 N ATOM 816 CA GLN A 49 0.265 -0.841 9.295 1.00 0.00 C ATOM 817 C GLN A 49 1.273 -1.630 8.476 1.00 0.00 C ATOM 818 O GLN A 49 1.933 -2.531 8.985 1.00 0.00 O ATOM 819 CB GLN A 49 -1.082 -0.646 8.583 1.00 0.00 C ATOM 820 CG GLN A 49 -2.182 -0.295 9.597 1.00 0.00 C ATOM 821 CD GLN A 49 -2.575 -1.477 10.491 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.131 -2.604 10.289 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.383 -1.216 11.514 1.00 0.00 N ATOM 0 H GLN A 49 0.582 1.211 8.985 1.00 0.00 H new ATOM 0 HA GLN A 49 0.035 -1.402 10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.996 0.148 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.351 -1.556 8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.841 0.529 10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.064 0.056 9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.736 -0.270 11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.650 -1.962 12.156 1.00 0.00 H new ATOM 832 N ALA A 50 1.421 -1.224 7.212 1.00 0.00 N ATOM 833 CA ALA A 50 2.269 -1.867 6.219 1.00 0.00 C ATOM 834 C ALA A 50 2.065 -3.389 6.117 1.00 0.00 C ATOM 835 O ALA A 50 1.313 -4.011 6.859 1.00 0.00 O ATOM 836 CB ALA A 50 3.718 -1.465 6.474 1.00 0.00 C ATOM 0 H ALA A 50 0.933 -0.407 6.844 1.00 0.00 H new ATOM 0 HA ALA A 50 1.973 -1.510 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.363 -1.941 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.814 -0.382 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.014 -1.784 7.473 1.00 0.00 H new ATOM 842 N GLY A 51 2.681 -4.000 5.103 1.00 0.00 N ATOM 843 CA GLY A 51 2.424 -5.394 4.768 1.00 0.00 C ATOM 844 C GLY A 51 0.941 -5.631 4.479 1.00 0.00 C ATOM 845 O GLY A 51 0.445 -6.744 4.612 1.00 0.00 O ATOM 0 H GLY A 51 3.365 -3.544 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.016 -5.676 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.743 -6.033 5.591 1.00 0.00 H new ATOM 849 N GLY A 52 0.236 -4.583 4.047 1.00 0.00 N ATOM 850 CA GLY A 52 -1.182 -4.604 3.810 1.00 0.00 C ATOM 851 C GLY A 52 -1.874 -3.651 4.773 1.00 0.00 C ATOM 852 O GLY A 52 -1.291 -2.665 5.218 1.00 0.00 O ATOM 0 H GLY A 52 0.662 -3.677 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.393 -4.314 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.568 -5.615 3.942 1.00 0.00 H new ATOM 856 N ASP A 53 -3.141 -3.972 5.021 1.00 0.00 N ATOM 857 CA ASP A 53 -4.075 -3.380 5.969 1.00 0.00 C ATOM 858 C ASP A 53 -3.969 -1.863 6.122 1.00 0.00 C ATOM 859 O ASP A 53 -4.029 -1.323 7.220 1.00 0.00 O ATOM 860 CB ASP A 53 -3.997 -4.129 7.306 1.00 0.00 C ATOM 861 CG ASP A 53 -5.342 -4.089 8.015 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.227 -4.832 7.539 1.00 0.00 O ATOM 863 OD2 ASP A 53 -5.471 -3.320 8.987 1.00 0.00 O ATOM 0 H ASP A 53 -3.583 -4.734 4.507 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.073 -3.508 5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.700 -5.164 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.232 -3.679 7.938 1.00 0.00 H new ATOM 868 N ALA A 54 -3.845 -1.150 4.999 1.00 0.00 N ATOM 869 CA ALA A 54 -3.720 0.295 5.017 1.00 0.00 C ATOM 870 C ALA A 54 -4.897 0.964 4.317 1.00 0.00 C ATOM 871 O ALA A 54 -4.993 2.187 4.360 1.00 0.00 O ATOM 872 CB ALA A 54 -2.388 0.663 4.385 1.00 0.00 C ATOM 0 H ALA A 54 -3.829 -1.560 4.065 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.741 0.660 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.271 1.747 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.577 0.210 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.359 0.297 3.359 1.00 0.00 H new ATOM 878 N THR A 55 -5.808 0.200 3.696 1.00 0.00 N ATOM 879 CA THR A 55 -7.042 0.759 3.160 1.00 0.00 C ATOM 880 C THR A 55 -7.779 1.537 4.238 1.00 0.00 C ATOM 881 O THR A 55 -8.097 2.701 4.022 1.00 0.00 O ATOM 882 CB THR A 55 -7.940 -0.335 2.561 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.395 -0.703 1.322 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.367 0.152 2.282 1.00 0.00 C ATOM 0 H THR A 55 -5.707 -0.805 3.556 1.00 0.00 H new ATOM 0 HA THR A 55 -6.781 1.444 2.353 1.00 0.00 H new ATOM 0 HB THR A 55 -7.985 -1.152 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.537 -1.155 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.954 -0.664 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.826 0.486 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.337 0.981 1.575 1.00 0.00 H new ATOM 892 N GLU A 56 -8.050 0.898 5.382 1.00 0.00 N ATOM 893 CA GLU A 56 -8.823 1.522 6.444 1.00 0.00 C ATOM 894 C GLU A 56 -8.206 2.882 6.784 1.00 0.00 C ATOM 895 O GLU A 56 -8.872 3.909 6.742 1.00 0.00 O ATOM 896 CB GLU A 56 -8.888 0.597 7.670 1.00 0.00 C ATOM 897 CG GLU A 56 -10.093 0.965 8.544 1.00 0.00 C ATOM 898 CD GLU A 56 -9.981 0.368 9.939 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.096 0.849 10.679 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.780 -0.546 10.234 1.00 0.00 O ATOM 0 H GLU A 56 -7.742 -0.052 5.589 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.848 1.686 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.966 -0.441 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.969 0.683 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.171 2.050 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.008 0.611 8.069 1.00 0.00 H new ATOM 907 N ASN A 57 -6.899 2.882 7.051 1.00 0.00 N ATOM 908 CA ASN A 57 -6.166 4.066 7.474 1.00 0.00 C ATOM 909 C ASN A 57 -6.132 5.134 6.369 1.00 0.00 C ATOM 910 O ASN A 57 -6.333 6.321 6.613 1.00 0.00 O ATOM 911 CB ASN A 57 -4.758 3.638 7.909 1.00 0.00 C ATOM 912 CG ASN A 57 -4.346 4.327 9.206 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.970 5.492 9.211 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.414 3.602 10.320 1.00 0.00 N ATOM 0 H ASN A 57 -6.317 2.048 6.977 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.674 4.529 8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.730 2.557 8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.043 3.880 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.148 4.015 11.214 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.732 2.634 10.280 1.00 0.00 H new ATOM 921 N PHE A 58 -5.890 4.710 5.127 1.00 0.00 N ATOM 922 CA PHE A 58 -5.929 5.578 3.955 1.00 0.00 C ATOM 923 C PHE A 58 -7.305 6.244 3.797 1.00 0.00 C ATOM 924 O PHE A 58 -7.369 7.452 3.551 1.00 0.00 O ATOM 925 CB PHE A 58 -5.532 4.763 2.717 1.00 0.00 C ATOM 926 CG PHE A 58 -5.793 5.430 1.381 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.828 6.254 0.773 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.017 5.200 0.730 1.00 0.00 C ATOM 929 CE1 PHE A 58 -5.111 6.882 -0.452 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.320 5.861 -0.468 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.365 6.703 -1.063 1.00 0.00 C ATOM 0 H PHE A 58 -5.659 3.741 4.907 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.213 6.391 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.470 4.529 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.070 3.815 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.870 6.404 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.729 4.509 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.364 7.503 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.285 5.724 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.594 7.212 -1.988 1.00 0.00 H new ATOM 941 N GLU A 59 -8.387 5.464 3.930 1.00 0.00 N ATOM 942 CA GLU A 59 -9.766 5.918 3.765 1.00 0.00 C ATOM 943 C GLU A 59 -10.230 6.731 4.976 1.00 0.00 C ATOM 944 O GLU A 59 -11.081 7.603 4.831 1.00 0.00 O ATOM 945 CB GLU A 59 -10.722 4.738 3.517 1.00 0.00 C ATOM 946 CG GLU A 59 -10.774 4.276 2.048 1.00 0.00 C ATOM 947 CD GLU A 59 -11.485 5.266 1.119 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.664 5.561 1.407 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.872 5.676 0.107 1.00 0.00 O ATOM 0 H GLU A 59 -8.320 4.473 4.162 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.789 6.564 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.417 3.898 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.725 5.023 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.757 4.120 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.282 3.313 1.996 1.00 0.00 H new ATOM 956 N ASP A 60 -9.670 6.471 6.162 1.00 0.00 N ATOM 957 CA ASP A 60 -9.929 7.260 7.361 1.00 0.00 C ATOM 958 C ASP A 60 -9.675 8.740 7.065 1.00 0.00 C ATOM 959 O ASP A 60 -10.529 9.593 7.297 1.00 0.00 O ATOM 960 CB ASP A 60 -9.049 6.758 8.508 1.00 0.00 C ATOM 961 CG ASP A 60 -9.387 7.478 9.805 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.443 7.143 10.381 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.583 8.352 10.194 1.00 0.00 O ATOM 0 H ASP A 60 -9.020 5.700 6.313 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.971 7.149 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.188 5.685 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.999 6.916 8.262 1.00 0.00 H new ATOM 968 N VAL A 61 -8.510 9.026 6.474 1.00 0.00 N ATOM 969 CA VAL A 61 -8.194 10.347 5.940 1.00 0.00 C ATOM 970 C VAL A 61 -8.883 10.576 4.586 1.00 0.00 C ATOM 971 O VAL A 61 -9.165 11.715 4.213 1.00 0.00 O ATOM 972 CB VAL A 61 -6.667 10.526 5.887 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.265 11.865 5.247 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.093 10.435 7.310 1.00 0.00 C ATOM 0 H VAL A 61 -7.761 8.344 6.354 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.589 11.118 6.602 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.258 9.730 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.178 11.949 5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.648 11.910 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.683 12.686 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.011 10.562 7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.530 11.218 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.331 9.460 7.737 1.00 0.00 H new ATOM 984 N GLY A 62 -9.139 9.520 3.813 1.00 0.00 N ATOM 985 CA GLY A 62 -9.922 9.591 2.585 1.00 0.00 C ATOM 986 C GLY A 62 -9.020 9.892 1.397 1.00 0.00 C ATOM 987 O GLY A 62 -9.053 9.180 0.395 1.00 0.00 O ATOM 0 H GLY A 62 -8.803 8.581 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.444 8.648 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.684 10.365 2.676 1.00 0.00 H new ATOM 991 N HIS A 63 -8.214 10.949 1.537 1.00 0.00 N ATOM 992 CA HIS A 63 -7.302 11.470 0.527 1.00 0.00 C ATOM 993 C HIS A 63 -8.041 12.092 -0.665 1.00 0.00 C ATOM 994 O HIS A 63 -9.188 11.765 -0.965 1.00 0.00 O ATOM 995 CB HIS A 63 -6.310 10.410 0.029 1.00 0.00 C ATOM 996 CG HIS A 63 -5.252 9.983 1.010 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.409 9.150 2.095 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.915 10.233 0.864 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.179 8.934 2.596 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.225 9.557 1.868 1.00 0.00 N ATOM 0 H HIS A 63 -8.182 11.488 2.403 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.737 12.257 1.027 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.874 9.528 -0.274 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.816 10.794 -0.863 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.287 8.771 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.469 10.851 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.978 8.336 3.473 1.00 0.00 H new ATOM 1008 N SER A 64 -7.351 12.995 -1.366 1.00 0.00 N ATOM 1009 CA SER A 64 -7.845 13.644 -2.569 1.00 0.00 C ATOM 1010 C SER A 64 -7.486 12.821 -3.807 1.00 0.00 C ATOM 1011 O SER A 64 -6.559 12.009 -3.783 1.00 0.00 O ATOM 1012 CB SER A 64 -7.231 15.045 -2.661 1.00 0.00 C ATOM 1013 OG SER A 64 -7.360 15.696 -1.411 1.00 0.00 O ATOM 0 H SER A 64 -6.413 13.298 -1.102 1.00 0.00 H new ATOM 0 HA SER A 64 -8.931 13.722 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.180 14.976 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.731 15.623 -3.438 1.00 0.00 H new ATOM 0 HG SER A 64 -6.966 16.592 -1.467 1.00 0.00 H new ATOM 1019 N THR A 65 -8.189 13.068 -4.914 1.00 0.00 N ATOM 1020 CA THR A 65 -7.964 12.411 -6.197 1.00 0.00 C ATOM 1021 C THR A 65 -6.495 12.465 -6.625 1.00 0.00 C ATOM 1022 O THR A 65 -5.984 11.482 -7.161 1.00 0.00 O ATOM 1023 CB THR A 65 -8.908 13.016 -7.240 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.223 12.915 -6.727 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.817 12.279 -8.580 1.00 0.00 C ATOM 0 H THR A 65 -8.949 13.748 -4.941 1.00 0.00 H new ATOM 0 HA THR A 65 -8.192 11.350 -6.099 1.00 0.00 H new ATOM 0 HB THR A 65 -8.630 14.054 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.856 13.296 -7.371 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.501 12.737 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.798 12.342 -8.962 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.087 11.232 -8.439 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.810 13.575 -6.335 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.367 13.714 -6.496 1.00 0.00 C ATOM 1035 C ASP A 66 -3.647 12.468 -5.972 1.00 0.00 C ATOM 1036 O ASP A 66 -2.867 11.835 -6.675 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.886 14.965 -5.739 1.00 0.00 C ATOM 1038 CG ASP A 66 -4.289 16.282 -6.392 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.834 16.237 -7.515 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -4.075 17.317 -5.728 1.00 0.00 O ATOM 0 H ASP A 66 -6.257 14.418 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.135 13.822 -7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.284 14.938 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.800 14.931 -5.656 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.931 12.069 -4.732 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.295 10.897 -4.153 1.00 0.00 C ATOM 1047 C ALA A 67 -3.726 9.619 -4.869 1.00 0.00 C ATOM 1048 O ALA A 67 -2.934 8.686 -4.979 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.630 10.806 -2.671 1.00 0.00 C ATOM 0 H ALA A 67 -4.594 12.540 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.217 11.001 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.150 9.926 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.270 11.699 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.710 10.728 -2.546 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.977 9.546 -5.337 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.442 8.377 -6.071 1.00 0.00 C ATOM 1057 C ARG A 68 -4.668 8.207 -7.378 1.00 0.00 C ATOM 1058 O ARG A 68 -4.192 7.112 -7.668 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.949 8.421 -6.346 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.794 8.381 -5.066 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.092 7.614 -5.350 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.013 7.629 -4.200 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.144 6.906 -4.130 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.482 6.112 -5.155 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.931 6.976 -3.051 1.00 0.00 N ATOM 0 H ARG A 68 -5.676 10.279 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.253 7.513 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.185 9.328 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.222 7.578 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.238 7.897 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.020 9.394 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.588 8.052 -6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.853 6.582 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.777 8.226 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.883 6.060 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.338 5.559 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.675 7.582 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.787 6.423 -3.008 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.541 9.258 -8.193 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.756 9.112 -9.412 1.00 0.00 C ATOM 1081 C GLU A 69 -2.292 8.820 -9.048 1.00 0.00 C ATOM 1082 O GLU A 69 -1.659 7.952 -9.649 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.011 10.244 -10.414 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.329 11.565 -10.066 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.865 11.593 -10.492 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -1.628 11.353 -11.694 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -1.011 11.825 -9.611 1.00 0.00 O ATOM 0 H GLU A 69 -4.953 10.178 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.089 8.241 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.672 9.923 -11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.085 10.413 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.861 12.384 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.395 11.733 -8.991 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.786 9.452 -7.984 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.439 9.183 -7.510 1.00 0.00 C ATOM 1096 C LEU A 70 -0.277 7.713 -7.106 1.00 0.00 C ATOM 1097 O LEU A 70 0.766 7.120 -7.376 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.075 10.139 -6.368 1.00 0.00 C ATOM 1099 CG LEU A 70 1.419 10.486 -6.352 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.732 11.539 -7.427 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.800 11.063 -4.985 1.00 0.00 C ATOM 0 H LEU A 70 -2.293 10.151 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 70 0.260 9.363 -8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.657 11.055 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.350 9.685 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 70 1.987 9.577 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.796 11.776 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.468 11.146 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.155 12.442 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.862 11.308 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.218 11.965 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.592 10.327 -4.209 1.00 0.00 H new ATOM 1113 N SER A 71 -1.291 7.092 -6.484 1.00 0.00 N ATOM 1114 CA SER A 71 -1.224 5.681 -6.122 1.00 0.00 C ATOM 1115 C SER A 71 -0.857 4.851 -7.346 1.00 0.00 C ATOM 1116 O SER A 71 0.027 4.008 -7.266 1.00 0.00 O ATOM 1117 CB SER A 71 -2.500 5.178 -5.418 1.00 0.00 C ATOM 1118 OG SER A 71 -3.537 4.773 -6.293 1.00 0.00 O ATOM 0 H SER A 71 -2.164 7.551 -6.224 1.00 0.00 H new ATOM 0 HA SER A 71 -0.435 5.560 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.237 4.338 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.878 5.969 -4.771 1.00 0.00 H new ATOM 0 HG SER A 71 -3.825 5.537 -6.835 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.492 5.108 -8.493 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.191 4.403 -9.729 1.00 0.00 C ATOM 1126 C LYS A 72 0.316 4.398 -10.027 1.00 0.00 C ATOM 1127 O LYS A 72 0.875 3.355 -10.350 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.006 4.995 -10.885 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.078 4.033 -11.407 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.134 3.733 -10.327 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.492 3.382 -10.948 1.00 0.00 C ATOM 1132 NZ LYS A 72 -5.410 2.232 -11.872 1.00 0.00 N ATOM 0 H LYS A 72 -2.226 5.810 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.483 3.359 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.482 5.918 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.333 5.259 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.563 4.465 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.609 3.103 -11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.793 2.906 -9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.244 4.599 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.204 3.156 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.878 4.249 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.366 1.970 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.833 2.491 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.973 1.425 -11.383 1.00 0.00 H new ATOM 1146 N THR A 73 0.992 5.536 -9.871 1.00 0.00 N ATOM 1147 CA THR A 73 2.435 5.630 -10.049 1.00 0.00 C ATOM 1148 C THR A 73 3.221 4.683 -9.118 1.00 0.00 C ATOM 1149 O THR A 73 4.340 4.299 -9.445 1.00 0.00 O ATOM 1150 CB THR A 73 2.838 7.112 -9.928 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.518 7.767 -11.138 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.315 7.330 -9.620 1.00 0.00 C ATOM 0 H THR A 73 0.550 6.419 -9.617 1.00 0.00 H new ATOM 0 HA THR A 73 2.707 5.279 -11.044 1.00 0.00 H new ATOM 0 HB THR A 73 2.284 7.521 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.768 8.712 -11.074 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.518 8.399 -9.551 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.564 6.851 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.920 6.896 -10.416 1.00 0.00 H new ATOM 1160 N TYR A 74 2.647 4.279 -7.980 1.00 0.00 N ATOM 1161 CA TYR A 74 3.257 3.365 -7.016 1.00 0.00 C ATOM 1162 C TYR A 74 2.691 1.946 -7.122 1.00 0.00 C ATOM 1163 O TYR A 74 3.015 1.080 -6.306 1.00 0.00 O ATOM 1164 CB TYR A 74 3.026 3.913 -5.606 1.00 0.00 C ATOM 1165 CG TYR A 74 3.837 5.155 -5.306 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.240 5.066 -5.265 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.210 6.407 -5.169 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.014 6.235 -5.198 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.986 7.572 -5.049 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.388 7.488 -5.112 1.00 0.00 C ATOM 1171 OH TYR A 74 6.155 8.613 -5.106 1.00 0.00 O ATOM 0 H TYR A 74 1.717 4.590 -7.698 1.00 0.00 H new ATOM 0 HA TYR A 74 4.323 3.300 -7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.967 4.140 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.275 3.141 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.721 4.099 -5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.132 6.473 -5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.092 6.170 -5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.507 8.530 -4.909 1.00 0.00 H new ATOM 0 HH TYR A 74 6.095 9.045 -4.228 1.00 0.00 H new ATOM 1181 N ILE A 75 1.811 1.706 -8.094 1.00 0.00 N ATOM 1182 CA ILE A 75 1.163 0.418 -8.247 1.00 0.00 C ATOM 1183 C ILE A 75 2.203 -0.624 -8.627 1.00 0.00 C ATOM 1184 O ILE A 75 3.046 -0.373 -9.486 1.00 0.00 O ATOM 1185 CB ILE A 75 0.007 0.528 -9.251 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.115 -0.452 -8.886 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.426 0.327 -10.716 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.398 -0.075 -9.627 1.00 0.00 C ATOM 0 H ILE A 75 1.533 2.398 -8.790 1.00 0.00 H new ATOM 0 HA ILE A 75 0.718 0.094 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.352 1.555 -9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.820 -1.469 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.288 -0.435 -7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.448 0.420 -11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.162 1.083 -10.991 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.862 -0.665 -10.837 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.190 -0.776 -9.363 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.698 0.935 -9.345 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.222 -0.115 -10.702 1.00 0.00 H new ATOM 1200 N ILE A 76 2.149 -1.786 -7.980 1.00 0.00 N ATOM 1201 CA ILE A 76 3.051 -2.883 -8.301 1.00 0.00 C ATOM 1202 C ILE A 76 2.284 -4.043 -8.912 1.00 0.00 C ATOM 1203 O ILE A 76 2.790 -4.674 -9.835 1.00 0.00 O ATOM 1204 CB ILE A 76 3.881 -3.296 -7.079 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.996 -3.715 -5.894 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.824 -2.145 -6.715 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.802 -4.113 -4.664 1.00 0.00 C ATOM 0 H ILE A 76 1.488 -1.990 -7.230 1.00 0.00 H new ATOM 0 HA ILE A 76 3.763 -2.542 -9.052 1.00 0.00 H new ATOM 0 HB ILE A 76 4.472 -4.177 -7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.330 -2.892 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.366 -4.552 -6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.421 -2.424 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.484 -1.935 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.239 -1.255 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.123 -4.399 -3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.448 -4.956 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.412 -3.270 -4.340 1.00 0.00 H new ATOM 1219 N GLY A 77 1.082 -4.331 -8.408 1.00 0.00 N ATOM 1220 CA GLY A 77 0.306 -5.482 -8.822 1.00 0.00 C ATOM 1221 C GLY A 77 -1.061 -5.436 -8.149 1.00 0.00 C ATOM 1222 O GLY A 77 -1.535 -4.358 -7.779 1.00 0.00 O ATOM 0 H GLY A 77 0.624 -3.762 -7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.191 -5.487 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.826 -6.401 -8.553 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.686 -6.602 -7.980 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.068 -6.739 -7.553 1.00 0.00 C ATOM 1228 C GLU A 78 -3.179 -7.769 -6.437 1.00 0.00 C ATOM 1229 O GLU A 78 -2.257 -8.543 -6.197 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.956 -7.066 -8.767 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.494 -5.753 -9.355 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.084 -5.864 -10.756 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.530 -6.972 -11.116 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.114 -4.811 -11.429 1.00 0.00 O ATOM 0 H GLU A 78 -1.227 -7.498 -8.142 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.425 -5.797 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.383 -7.609 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.782 -7.712 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.259 -5.360 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.684 -5.024 -9.376 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.299 -7.746 -5.717 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.581 -8.759 -4.717 1.00 0.00 C ATOM 1243 C LEU A 79 -4.937 -10.052 -5.444 1.00 0.00 C ATOM 1244 O LEU A 79 -5.663 -10.026 -6.438 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.714 -8.288 -3.796 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.235 -7.240 -2.778 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.443 -6.641 -2.050 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.294 -7.874 -1.746 1.00 0.00 C ATOM 0 H LEU A 79 -5.023 -7.034 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.711 -8.935 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.518 -7.866 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.129 -9.145 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.696 -6.460 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.102 -5.898 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.105 -6.166 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.983 -7.432 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.968 -7.114 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.819 -8.667 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.425 -8.292 -2.254 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.395 -11.178 -4.981 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.619 -12.465 -5.614 1.00 0.00 C ATOM 1262 C HIS A 80 -6.113 -12.787 -5.623 1.00 0.00 C ATOM 1263 O HIS A 80 -6.793 -12.553 -4.623 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.828 -13.557 -4.885 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.502 -14.767 -5.719 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.063 -16.018 -5.609 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.511 -14.841 -6.661 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.437 -16.820 -6.487 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.489 -16.146 -7.157 1.00 0.00 N ATOM 0 H HIS A 80 -3.792 -11.218 -4.160 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.269 -12.423 -6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.897 -13.126 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.398 -13.878 -4.013 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.862 -14.034 -6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.666 -17.865 -6.634 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.875 -16.514 -7.884 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.635 -13.352 -6.721 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.045 -13.675 -6.831 1.00 0.00 C ATOM 1279 C PRO A 81 -8.497 -14.724 -5.805 1.00 0.00 C ATOM 1280 O PRO A 81 -9.695 -14.866 -5.592 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.262 -14.108 -8.287 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.873 -14.557 -8.749 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.933 -13.662 -7.954 1.00 0.00 C ATOM 0 HA PRO A 81 -8.668 -12.812 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.988 -14.918 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.639 -13.287 -8.896 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.700 -15.612 -8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.744 -14.423 -9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.989 -14.168 -7.751 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.695 -12.754 -8.508 1.00 0.00 H new ATOM 1291 N ASP A 82 -7.567 -15.423 -5.142 1.00 0.00 N ATOM 1292 CA ASP A 82 -7.830 -16.268 -3.978 1.00 0.00 C ATOM 1293 C ASP A 82 -8.887 -15.646 -3.049 1.00 0.00 C ATOM 1294 O ASP A 82 -9.981 -16.184 -2.882 1.00 0.00 O ATOM 1295 CB ASP A 82 -6.499 -16.506 -3.249 1.00 0.00 C ATOM 1296 CG ASP A 82 -6.698 -17.039 -1.840 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -7.292 -18.131 -1.733 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -6.232 -16.347 -0.912 1.00 0.00 O ATOM 0 H ASP A 82 -6.583 -15.414 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.244 -17.222 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.896 -17.212 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.939 -15.572 -3.206 1.00 0.00 H new ATOM 1303 N ASP A 83 -8.586 -14.466 -2.501 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.448 -13.795 -1.533 1.00 0.00 C ATOM 1305 C ASP A 83 -10.627 -13.067 -2.196 1.00 0.00 C ATOM 1306 O ASP A 83 -11.377 -12.363 -1.525 1.00 0.00 O ATOM 1307 CB ASP A 83 -8.592 -12.842 -0.688 1.00 0.00 C ATOM 1308 CG ASP A 83 -9.342 -12.230 0.494 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -9.943 -13.022 1.253 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -9.259 -10.988 0.635 1.00 0.00 O ATOM 0 H ASP A 83 -7.734 -13.950 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.900 -14.548 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.722 -13.383 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.219 -12.040 -1.325 1.00 0.00 H new ATOM 1315 N ARG A 84 -10.861 -13.230 -3.507 1.00 0.00 N ATOM 1316 CA ARG A 84 -11.916 -12.477 -4.187 1.00 0.00 C ATOM 1317 C ARG A 84 -13.307 -12.763 -3.612 1.00 0.00 C ATOM 1318 O ARG A 84 -14.219 -11.955 -3.764 1.00 0.00 O ATOM 1319 CB ARG A 84 -11.872 -12.709 -5.702 1.00 0.00 C ATOM 1320 CG ARG A 84 -12.388 -14.088 -6.144 1.00 0.00 C ATOM 1321 CD ARG A 84 -13.902 -14.121 -6.422 1.00 0.00 C ATOM 1322 NE ARG A 84 -14.200 -14.719 -7.735 1.00 0.00 N ATOM 1323 CZ ARG A 84 -13.951 -14.132 -8.918 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -13.402 -12.914 -8.950 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -14.240 -14.767 -10.061 1.00 0.00 N ATOM 0 H ARG A 84 -10.340 -13.869 -4.108 1.00 0.00 H new ATOM 0 HA ARG A 84 -11.720 -11.421 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.464 -11.937 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.845 -12.590 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.855 -14.394 -7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -12.153 -14.819 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -14.404 -14.691 -5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.302 -13.108 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 84 -14.626 -15.646 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.174 -12.434 -8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.211 -12.464 -9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.651 -15.700 -10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.049 -14.317 -10.956 1.00 0.00 H new ATOM 1339 N SER A 85 -13.480 -13.923 -2.973 1.00 0.00 N ATOM 1340 CA SER A 85 -14.725 -14.297 -2.319 1.00 0.00 C ATOM 1341 C SER A 85 -14.940 -13.511 -1.014 1.00 0.00 C ATOM 1342 O SER A 85 -16.071 -13.409 -0.544 1.00 0.00 O ATOM 1343 CB SER A 85 -14.718 -15.815 -2.086 1.00 0.00 C ATOM 1344 OG SER A 85 -15.992 -16.289 -1.697 1.00 0.00 O ATOM 0 H SER A 85 -12.750 -14.631 -2.898 1.00 0.00 H new ATOM 0 HA SER A 85 -15.567 -14.039 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.404 -16.322 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.987 -16.062 -1.316 1.00 0.00 H new ATOM 0 HG SER A 85 -15.952 -17.258 -1.559 1.00 0.00 H new ATOM 1350 N LYS A 86 -13.871 -12.976 -0.411 1.00 0.00 N ATOM 1351 CA LYS A 86 -13.892 -12.358 0.911 1.00 0.00 C ATOM 1352 C LYS A 86 -12.970 -11.132 0.949 1.00 0.00 C ATOM 1353 O LYS A 86 -12.265 -10.910 1.928 1.00 0.00 O ATOM 1354 CB LYS A 86 -13.539 -13.435 1.964 1.00 0.00 C ATOM 1355 CG LYS A 86 -14.785 -13.954 2.693 1.00 0.00 C ATOM 1356 CD LYS A 86 -15.214 -12.948 3.775 1.00 0.00 C ATOM 1357 CE LYS A 86 -16.491 -13.381 4.510 1.00 0.00 C ATOM 1358 NZ LYS A 86 -16.261 -14.525 5.416 1.00 0.00 N ATOM 0 H LYS A 86 -12.947 -12.963 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 86 -14.887 -11.980 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.031 -14.267 1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.841 -13.018 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.597 -14.105 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.575 -14.922 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.406 -12.830 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.376 -11.973 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.879 -12.539 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.254 -13.648 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.152 -14.779 5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.916 -15.338 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.553 -14.264 6.131 1.00 0.00 H new ATOM 1372 N ILE A 87 -13.054 -10.309 -0.103 1.00 0.00 N ATOM 1373 CA ILE A 87 -12.272 -9.089 -0.288 1.00 0.00 C ATOM 1374 C ILE A 87 -12.152 -8.317 1.031 1.00 0.00 C ATOM 1375 O ILE A 87 -13.173 -7.895 1.574 1.00 0.00 O ATOM 1376 CB ILE A 87 -12.953 -8.195 -1.344 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -13.078 -8.880 -2.718 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -12.216 -6.858 -1.527 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -14.443 -8.579 -3.346 1.00 0.00 C ATOM 0 H ILE A 87 -13.695 -10.485 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.273 -9.365 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 87 -13.954 -8.010 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.283 -8.532 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -12.952 -9.957 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -12.729 -6.260 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -12.203 -6.317 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.193 -7.048 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -14.514 -9.071 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -15.233 -8.949 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -14.554 -7.503 -3.476 1.00 0.00 H new ATOM 1391 N ALA A 88 -10.914 -8.089 1.485 1.00 0.00 N ATOM 1392 CA ALA A 88 -10.562 -7.366 2.697 1.00 0.00 C ATOM 1393 C ALA A 88 -10.927 -8.167 3.948 1.00 0.00 C ATOM 1394 O ALA A 88 -12.086 -8.507 4.172 1.00 0.00 O ATOM 1395 CB ALA A 88 -11.166 -5.966 2.684 1.00 0.00 C ATOM 0 H ALA A 88 -10.091 -8.425 0.984 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.480 -7.239 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -10.891 -5.442 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.788 -5.415 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.252 -6.039 2.620 1.00 0.00 H new ATOM 1401 N LYS A 89 -9.920 -8.477 4.770 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.038 -9.441 5.851 1.00 0.00 C ATOM 1403 C LYS A 89 -9.695 -8.741 7.172 1.00 0.00 C ATOM 1404 O LYS A 89 -8.617 -8.161 7.265 1.00 0.00 O ATOM 1405 CB LYS A 89 -9.095 -10.619 5.541 1.00 0.00 C ATOM 1406 CG LYS A 89 -9.641 -11.959 6.062 1.00 0.00 C ATOM 1407 CD LYS A 89 -8.700 -12.612 7.082 1.00 0.00 C ATOM 1408 CE LYS A 89 -7.633 -13.438 6.352 1.00 0.00 C ATOM 1409 NZ LYS A 89 -6.539 -13.851 7.253 1.00 0.00 N ATOM 0 H LYS A 89 -8.993 -8.057 4.697 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.051 -9.833 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.943 -10.686 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.120 -10.428 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.616 -11.798 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.792 -12.638 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.224 -11.846 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.268 -13.251 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.096 -14.323 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.223 -12.853 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.840 -14.406 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.079 -13.007 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.925 -14.431 8.025 1.00 0.00 H new ATOM 1423 N PRO A 90 -10.583 -8.754 8.182 1.00 0.00 N ATOM 1424 CA PRO A 90 -10.368 -8.014 9.413 1.00 0.00 C ATOM 1425 C PRO A 90 -9.228 -8.643 10.220 1.00 0.00 C ATOM 1426 O PRO A 90 -9.286 -9.822 10.570 1.00 0.00 O ATOM 1427 CB PRO A 90 -11.706 -8.057 10.160 1.00 0.00 C ATOM 1428 CG PRO A 90 -12.355 -9.345 9.656 1.00 0.00 C ATOM 1429 CD PRO A 90 -11.866 -9.438 8.211 1.00 0.00 C ATOM 0 HA PRO A 90 -10.067 -6.982 9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.562 -8.076 11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.319 -7.184 9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.044 -10.209 10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.443 -9.297 9.711 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.762 -10.477 7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.574 -8.970 7.528 1.00 0.00 H new ATOM 1437 N SER A 91 -8.207 -7.842 10.521 1.00 0.00 N ATOM 1438 CA SER A 91 -7.066 -8.175 11.354 1.00 0.00 C ATOM 1439 C SER A 91 -6.614 -6.866 12.001 1.00 0.00 C ATOM 1440 O SER A 91 -6.915 -5.800 11.472 1.00 0.00 O ATOM 1441 CB SER A 91 -5.947 -8.782 10.490 1.00 0.00 C ATOM 1442 OG SER A 91 -6.144 -10.175 10.314 1.00 0.00 O ATOM 0 H SER A 91 -8.157 -6.887 10.166 1.00 0.00 H new ATOM 0 HA SER A 91 -7.319 -8.913 12.115 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.924 -8.288 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.981 -8.604 10.962 1.00 0.00 H new ATOM 0 HG SER A 91 -7.102 -10.377 10.352 1.00 0.00 H new ATOM 1448 N GLU A 92 -5.923 -6.958 13.140 1.00 0.00 N ATOM 1449 CA GLU A 92 -5.307 -5.842 13.837 1.00 0.00 C ATOM 1450 C GLU A 92 -3.827 -6.177 13.986 1.00 0.00 C ATOM 1451 O GLU A 92 -3.504 -7.325 14.309 1.00 0.00 O ATOM 1452 CB GLU A 92 -5.990 -5.667 15.205 1.00 0.00 C ATOM 1453 CG GLU A 92 -6.660 -4.297 15.293 1.00 0.00 C ATOM 1454 CD GLU A 92 -5.621 -3.201 15.515 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -4.729 -3.076 14.645 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -5.711 -2.554 16.580 1.00 0.00 O ATOM 0 H GLU A 92 -5.776 -7.849 13.615 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.417 -4.904 13.293 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.732 -6.452 15.352 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.254 -5.771 16.002 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.215 -4.099 14.376 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.382 -4.292 16.110 1.00 0.00 H new ATOM 1463 N THR A 93 -2.928 -5.236 13.696 1.00 0.00 N ATOM 1464 CA THR A 93 -1.489 -5.477 13.592 1.00 0.00 C ATOM 1465 C THR A 93 -0.746 -4.140 13.732 1.00 0.00 C ATOM 1466 O THR A 93 -1.346 -3.080 13.565 1.00 0.00 O ATOM 1467 CB THR A 93 -1.163 -6.213 12.270 1.00 0.00 C ATOM 1468 OG1 THR A 93 -1.879 -7.432 12.171 1.00 0.00 O ATOM 1469 CG2 THR A 93 0.317 -6.586 12.127 1.00 0.00 C ATOM 0 H THR A 93 -3.186 -4.264 13.523 1.00 0.00 H new ATOM 0 HA THR A 93 -1.152 -6.129 14.398 1.00 0.00 H new ATOM 0 HB THR A 93 -1.445 -5.505 11.491 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.250 -7.666 13.048 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.473 -7.099 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.925 -5.681 12.155 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.607 -7.244 12.946 1.00 0.00 H new ATOM 1477 N LEU A 94 0.545 -4.203 14.072 1.00 0.00 N ATOM 1478 CA LEU A 94 1.483 -3.104 14.233 1.00 0.00 C ATOM 1479 C LEU A 94 2.807 -3.671 13.697 1.00 0.00 C ATOM 1480 O LEU A 94 2.866 -4.920 13.564 1.00 0.00 O ATOM 1481 CB LEU A 94 1.603 -2.768 15.731 1.00 0.00 C ATOM 1482 CG LEU A 94 1.919 -1.301 16.082 1.00 0.00 C ATOM 1483 CD1 LEU A 94 2.139 -1.207 17.597 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.149 -0.731 15.368 1.00 0.00 C ATOM 1485 OXT LEU A 94 3.748 -2.892 13.443 1.00 0.00 O ATOM 0 H LEU A 94 0.991 -5.102 14.255 1.00 0.00 H new ATOM 0 HA LEU A 94 1.187 -2.191 13.716 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.667 -3.042 16.218 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.382 -3.397 16.161 1.00 0.00 H new ATOM 0 HG LEU A 94 1.070 -0.707 15.745 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.364 -0.176 17.869 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.237 -1.530 18.116 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.972 -1.848 17.884 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.299 0.305 15.672 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.028 -1.318 15.633 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.996 -0.774 14.290 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 CHA HEM A 96 -1.472 12.988 2.631 1.00 0.00 C HETATM 1499 CHB HEM A 96 -0.465 10.169 -1.254 1.00 0.00 C HETATM 1500 CHC HEM A 96 -1.112 6.194 1.550 1.00 0.00 C HETATM 1501 CHD HEM A 96 -1.970 9.039 5.494 1.00 0.00 C HETATM 1502 C1A HEM A 96 -1.178 12.531 1.349 1.00 0.00 C HETATM 1503 C2A HEM A 96 -1.032 13.406 0.215 1.00 0.00 C HETATM 1504 C3A HEM A 96 -0.682 12.629 -0.868 1.00 0.00 C HETATM 1505 C4A HEM A 96 -0.712 11.257 -0.424 1.00 0.00 C HETATM 1506 CMA HEM A 96 -0.306 13.098 -2.253 1.00 0.00 C HETATM 1507 CAA HEM A 96 -1.257 14.898 0.266 1.00 0.00 C HETATM 1508 CBA HEM A 96 -2.699 15.248 0.640 1.00 0.00 C HETATM 1509 CGA HEM A 96 -2.864 16.691 1.092 1.00 0.00 C HETATM 1510 O1A HEM A 96 -3.879 16.945 1.774 1.00 0.00 O HETATM 1511 O2A HEM A 96 -1.983 17.507 0.746 1.00 0.00 O HETATM 1512 C1B HEM A 96 -0.557 8.859 -0.805 1.00 0.00 C HETATM 1513 C2B HEM A 96 -0.316 7.704 -1.637 1.00 0.00 C HETATM 1514 C3B HEM A 96 -0.527 6.616 -0.835 1.00 0.00 C HETATM 1515 C4B HEM A 96 -0.857 7.052 0.493 1.00 0.00 C HETATM 1516 CMB HEM A 96 0.138 7.686 -3.075 1.00 0.00 C HETATM 1517 CAB HEM A 96 -0.399 5.176 -1.263 1.00 0.00 C HETATM 1518 CBB HEM A 96 -1.109 4.717 -2.304 1.00 0.00 C HETATM 1519 C1C HEM A 96 -1.400 6.627 2.842 1.00 0.00 C HETATM 1520 C2C HEM A 96 -1.721 5.750 3.938 1.00 0.00 C HETATM 1521 C3C HEM A 96 -1.928 6.554 5.030 1.00 0.00 C HETATM 1522 C4C HEM A 96 -1.778 7.935 4.650 1.00 0.00 C HETATM 1523 CMC HEM A 96 -1.846 4.250 3.900 1.00 0.00 C HETATM 1524 CAC HEM A 96 -2.397 6.056 6.376 1.00 0.00 C HETATM 1525 CBC HEM A 96 -1.702 5.080 6.998 1.00 0.00 C HETATM 1526 C1D HEM A 96 -1.891 10.368 5.045 1.00 0.00 C HETATM 1527 C2D HEM A 96 -2.062 11.534 5.885 1.00 0.00 C HETATM 1528 C3D HEM A 96 -1.983 12.648 5.060 1.00 0.00 C HETATM 1529 C4D HEM A 96 -1.654 12.163 3.741 1.00 0.00 C HETATM 1530 CMD HEM A 96 -2.176 11.456 7.391 1.00 0.00 C HETATM 1531 CAD HEM A 96 -2.323 14.111 5.318 1.00 0.00 C HETATM 1532 CBD HEM A 96 -2.681 14.565 6.734 1.00 0.00 C HETATM 1533 CGD HEM A 96 -3.069 16.037 6.748 1.00 0.00 C HETATM 1534 O1D HEM A 96 -2.152 16.862 6.549 1.00 0.00 O HETATM 1535 O2D HEM A 96 -4.270 16.309 6.961 1.00 0.00 O HETATM 1536 NA HEM A 96 -1.014 11.258 0.915 1.00 0.00 N HETATM 1537 NB HEM A 96 -0.866 8.412 0.467 1.00 0.00 N HETATM 1538 NC HEM A 96 -1.467 7.917 3.312 1.00 0.00 N HETATM 1539 ND HEM A 96 -1.621 10.810 3.787 1.00 0.00 N HETATM 1540 FE HEM A 96 -1.249 9.596 2.137 1.00 0.00 FE HETATM 0 HMA1 HEM A 96 0.412 12.404 -2.690 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 0.140 14.091 -2.192 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -1.198 13.138 -2.878 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.719 6.783 -3.262 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.756 8.562 -3.272 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -0.732 7.700 -3.731 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -2.183 3.938 2.911 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -2.569 3.926 4.649 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -0.877 3.799 4.113 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -1.775 12.368 7.834 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -1.611 10.597 7.755 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -3.224 11.347 7.671 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -1.015 3.675 -2.611 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -1.781 5.385 -2.843 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -2.030 4.712 7.970 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -0.813 4.660 6.528 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -3.033 14.583 1.437 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -3.345 15.066 -0.219 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -1.018 15.334 -0.704 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -0.576 15.343 0.992 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -1.833 14.402 7.399 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -3.506 13.963 7.116 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -3.161 14.370 4.671 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -1.471 14.707 4.990 1.00 0.00 H new HETATM 0 HHA HEM A 96 -1.566 14.054 2.776 1.00 0.00 H new HETATM 0 HHB HEM A 96 -0.192 10.350 -2.283 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.086 5.131 1.362 1.00 0.00 H new HETATM 0 HHD HEM A 96 -2.188 8.859 6.536 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.272 4.506 -0.725 1.00 0.00 H new HETATM 0 HAC HEM A 96 -3.287 6.480 6.841 1.00 0.00 H new