USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD Set 1.1: A 16 LYS NZ :NH3+ -166:sc= -0.322 (180deg=-0.504) USER MOD Set 1.2: A 305 HEM CMA :methyl 150:sc= -0.0403 (180deg=-0.0403) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -169:sc= -0.0466 USER MOD Single : A 15 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.0097) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -150:sc= -0.0426 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 28:sc= 0.321 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -1.17 (180deg=-1.32) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -92:sc= 0.665 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS :FLIP no HE2:sc= -2.37 F(o=-5.2!,f=-2.4) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 156:sc= -2.49! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 66:sc= 1.13 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -165:sc= 1.71 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 HEM CMA :methyl -30:sc= -0.0597 (180deg=-0.407) USER MOD Single : A 233 HEM CMB :methyl 150:sc= -0.697 (180deg=-0.697) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -0.599 (180deg=-1.77) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -0.0541 (180deg=-0.0541) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.214 (180deg=-0.214) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -0.557 (180deg=-2.69!) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -6.77! (180deg=-6.77!) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -1.6 (180deg=-3.41!) USER MOD Single : A 282 HEM CMA :methyl 150:sc= -0.469 (180deg=-0.469) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -4.57! (180deg=-7.36!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -6.8! (180deg=-8.15!) USER MOD Single : A 282 HEM CMD :methyl -30:sc= -0.205 (180deg=-0.293) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.493 (180deg=-0.493) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -6.64! (180deg=-8.54!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.0863 (180deg=-2.87!) USER MOD ----------------------------------------------------------------- ATOM 1 CA ALA A 1 -15.327 3.522 10.128 1.00 1.00 C ATOM 2 C ALA A 1 -16.277 3.129 8.994 1.00 1.00 C ATOM 3 O ALA A 1 -17.325 2.522 9.202 1.00 1.00 O ATOM 4 CB ALA A 1 -14.378 2.385 10.513 1.00 1.00 C ATOM 10 N PRO A 2 -15.880 3.495 7.773 1.00 1.00 N ATOM 11 CA PRO A 2 -16.621 3.226 6.560 1.00 1.00 C ATOM 12 C PRO A 2 -16.817 1.725 6.404 1.00 1.00 C ATOM 13 O PRO A 2 -16.234 0.966 7.177 1.00 1.00 O ATOM 14 CB PRO A 2 -15.749 3.783 5.437 1.00 1.00 C ATOM 15 CG PRO A 2 -14.376 3.951 6.014 1.00 1.00 C ATOM 16 CD PRO A 2 -14.653 4.210 7.493 1.00 1.00 C ATOM 0 HA PRO A 2 -17.613 3.679 6.559 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -15.732 3.104 4.585 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -16.139 4.735 5.078 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -13.765 3.060 5.868 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -13.843 4.782 5.552 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -13.835 3.850 8.117 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -14.762 5.276 7.694 1.00 1.00 H new ATOM 24 N ALA A 3 -17.621 1.329 5.427 1.00 1.00 N ATOM 25 CA ALA A 3 -17.877 -0.082 5.194 1.00 1.00 C ATOM 26 C ALA A 3 -16.685 -0.698 4.458 1.00 1.00 C ATOM 27 O ALA A 3 -16.387 -0.319 3.327 1.00 1.00 O ATOM 28 CB ALA A 3 -19.187 -0.242 4.420 1.00 1.00 C ATOM 0 H ALA A 3 -18.103 1.961 4.788 1.00 1.00 H new ATOM 0 HA ALA A 3 -17.990 -0.613 6.139 1.00 1.00 H new ATOM 0 HB1 ALA A 3 -19.379 -1.301 4.245 1.00 1.00 H new ATOM 0 HB2 ALA A 3 -20.006 0.185 4.999 1.00 1.00 H new ATOM 0 HB3 ALA A 3 -19.110 0.276 3.464 1.00 1.00 H new ATOM 34 N VAL A 4 -16.036 -1.637 5.131 1.00 1.00 N ATOM 35 CA VAL A 4 -14.883 -2.308 4.555 1.00 1.00 C ATOM 36 C VAL A 4 -15.214 -2.743 3.125 1.00 1.00 C ATOM 37 O VAL A 4 -16.160 -3.484 2.870 1.00 1.00 O ATOM 38 CB VAL A 4 -14.455 -3.473 5.450 1.00 1.00 C ATOM 39 CG1 VAL A 4 -15.374 -4.681 5.253 1.00 1.00 C ATOM 40 CG2 VAL A 4 -12.994 -3.849 5.199 1.00 1.00 C ATOM 0 H VAL A 4 -16.287 -1.949 6.069 1.00 1.00 H new ATOM 0 HA VAL A 4 -14.033 -1.628 4.500 1.00 1.00 H new ATOM 0 HB VAL A 4 -14.544 -3.150 6.487 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -15.048 -5.495 5.900 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -16.398 -4.404 5.505 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -15.331 -5.005 4.213 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -12.715 -4.679 5.848 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -12.868 -4.144 4.157 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -12.356 -2.992 5.413 1.00 1.00 H new ATOM 50 N PRO A 5 -14.399 -2.256 2.186 1.00 1.00 N ATOM 51 CA PRO A 5 -14.525 -2.537 0.772 1.00 1.00 C ATOM 52 C PRO A 5 -14.548 -4.043 0.551 1.00 1.00 C ATOM 53 O PRO A 5 -13.770 -4.749 1.191 1.00 1.00 O ATOM 54 CB PRO A 5 -13.287 -1.909 0.136 1.00 1.00 C ATOM 55 CG PRO A 5 -12.922 -0.775 1.094 1.00 1.00 C ATOM 56 CD PRO A 5 -13.278 -1.381 2.450 1.00 1.00 C ATOM 0 HA PRO A 5 -15.443 -2.138 0.340 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -12.475 -2.631 0.042 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -13.498 -1.535 -0.866 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -11.867 -0.510 1.030 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -13.492 0.132 0.890 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -12.437 -1.933 2.869 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -13.542 -0.607 3.171 1.00 1.00 H new ATOM 64 N ASP A 6 -15.423 -4.500 -0.333 1.00 1.00 N ATOM 65 CA ASP A 6 -15.526 -5.922 -0.616 1.00 1.00 C ATOM 66 C ASP A 6 -14.830 -6.224 -1.945 1.00 1.00 C ATOM 67 O ASP A 6 -13.822 -6.928 -1.975 1.00 1.00 O ATOM 68 CB ASP A 6 -16.989 -6.353 -0.740 1.00 1.00 C ATOM 69 CG ASP A 6 -17.936 -5.282 -1.285 1.00 1.00 C ATOM 70 OD1 ASP A 6 -18.286 -4.322 -0.583 1.00 1.00 O ATOM 71 OD2 ASP A 6 -18.323 -5.465 -2.502 1.00 1.00 O ATOM 0 H ASP A 6 -16.067 -3.912 -0.862 1.00 1.00 H new ATOM 0 HA ASP A 6 -15.058 -6.465 0.205 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -17.041 -7.227 -1.390 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -17.344 -6.665 0.242 1.00 1.00 H new ATOM 77 N LYS A 7 -15.396 -5.678 -3.011 1.00 1.00 N ATOM 78 CA LYS A 7 -14.842 -5.880 -4.339 1.00 1.00 C ATOM 79 C LYS A 7 -13.476 -5.198 -4.426 1.00 1.00 C ATOM 80 O LYS A 7 -13.311 -4.024 -4.104 1.00 1.00 O ATOM 81 CB LYS A 7 -15.832 -5.415 -5.409 1.00 1.00 C ATOM 82 CG LYS A 7 -16.723 -6.569 -5.871 1.00 1.00 C ATOM 83 CD LYS A 7 -16.710 -6.696 -7.395 1.00 1.00 C ATOM 84 CE LYS A 7 -15.841 -7.874 -7.840 1.00 1.00 C ATOM 85 NZ LYS A 7 -15.470 -7.736 -9.266 1.00 1.00 N ATOM 0 H LYS A 7 -16.233 -5.096 -2.982 1.00 1.00 H new ATOM 0 HA LYS A 7 -14.681 -6.941 -4.527 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -16.450 -4.610 -5.012 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -15.287 -5.008 -6.261 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -16.379 -7.501 -5.422 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -17.744 -6.406 -5.525 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -17.728 -6.832 -7.761 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -16.333 -5.774 -7.837 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -14.941 -7.921 -7.227 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -16.380 -8.809 -7.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.880 -8.544 -9.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -16.331 -7.713 -9.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -14.937 -6.853 -9.402 1.00 1.00 H new ATOM 98 N PRO A 8 -12.486 -5.973 -4.877 1.00 1.00 N ATOM 99 CA PRO A 8 -11.117 -5.534 -5.041 1.00 1.00 C ATOM 100 C PRO A 8 -11.098 -4.108 -5.572 1.00 1.00 C ATOM 101 O PRO A 8 -11.938 -3.773 -6.406 1.00 1.00 O ATOM 102 CB PRO A 8 -10.514 -6.504 -6.055 1.00 1.00 C ATOM 103 CG PRO A 8 -11.267 -7.788 -5.763 1.00 1.00 C ATOM 104 CD PRO A 8 -12.645 -7.358 -5.265 1.00 1.00 C ATOM 0 HA PRO A 8 -10.557 -5.533 -4.106 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -10.667 -6.167 -7.080 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -9.439 -6.622 -5.915 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -11.350 -8.405 -6.658 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -10.748 -8.384 -5.012 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -13.398 -7.466 -6.045 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -12.969 -7.969 -4.423 1.00 1.00 H new ATOM 112 N VAL A 9 -10.160 -3.307 -5.089 1.00 1.00 N ATOM 113 CA VAL A 9 -10.056 -1.926 -5.528 1.00 1.00 C ATOM 114 C VAL A 9 -8.745 -1.736 -6.294 1.00 1.00 C ATOM 115 O VAL A 9 -7.706 -2.259 -5.893 1.00 1.00 O ATOM 116 CB VAL A 9 -10.189 -0.984 -4.330 1.00 1.00 C ATOM 117 CG1 VAL A 9 -11.618 -0.991 -3.783 1.00 1.00 C ATOM 118 CG2 VAL A 9 -9.182 -1.342 -3.236 1.00 1.00 C ATOM 0 H VAL A 9 -9.465 -3.588 -4.398 1.00 1.00 H new ATOM 0 HA VAL A 9 -10.870 -1.680 -6.210 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.966 0.026 -4.673 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -11.685 -0.313 -2.932 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -12.307 -0.665 -4.562 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -11.881 -2.000 -3.465 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.298 -0.657 -2.396 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -9.359 -2.363 -2.898 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.170 -1.261 -3.633 1.00 1.00 H new ATOM 128 N GLU A 10 -8.837 -0.988 -7.384 1.00 1.00 N ATOM 129 CA GLU A 10 -7.671 -0.723 -8.210 1.00 1.00 C ATOM 130 C GLU A 10 -6.879 0.458 -7.647 1.00 1.00 C ATOM 131 O GLU A 10 -7.456 1.380 -7.072 1.00 1.00 O ATOM 132 CB GLU A 10 -8.075 -0.469 -9.663 1.00 1.00 C ATOM 133 CG GLU A 10 -9.471 -1.027 -9.950 1.00 1.00 C ATOM 134 CD GLU A 10 -10.541 0.049 -9.762 1.00 1.00 C ATOM 135 OE1 GLU A 10 -10.306 1.222 -10.089 1.00 1.00 O ATOM 136 OE2 GLU A 10 -11.652 -0.369 -9.257 1.00 1.00 O ATOM 0 H GLU A 10 -9.701 -0.557 -7.714 1.00 1.00 H new ATOM 0 HA GLU A 10 -7.031 -1.605 -8.194 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -8.058 0.602 -9.867 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -7.350 -0.932 -10.332 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -9.511 -1.410 -10.970 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -9.674 -1.867 -9.286 1.00 1.00 H new ATOM 144 N VAL A 11 -5.568 0.392 -7.831 1.00 1.00 N ATOM 145 CA VAL A 11 -4.691 1.445 -7.348 1.00 1.00 C ATOM 146 C VAL A 11 -4.006 2.119 -8.540 1.00 1.00 C ATOM 147 O VAL A 11 -2.780 2.132 -8.629 1.00 1.00 O ATOM 148 CB VAL A 11 -3.698 0.875 -6.333 1.00 1.00 C ATOM 149 CG1 VAL A 11 -2.706 1.946 -5.875 1.00 1.00 C ATOM 150 CG2 VAL A 11 -4.430 0.258 -5.139 1.00 1.00 C ATOM 0 H VAL A 11 -5.092 -0.374 -8.308 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.265 2.211 -6.826 1.00 1.00 H new ATOM 0 HB VAL A 11 -3.132 0.084 -6.825 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -2.012 1.514 -5.154 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.150 2.319 -6.735 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.248 2.769 -5.409 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -3.702 -0.140 -4.432 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -5.033 1.022 -4.648 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -5.077 -0.548 -5.486 1.00 1.00 H new ATOM 160 N LYS A 12 -4.829 2.662 -9.425 1.00 1.00 N ATOM 161 CA LYS A 12 -4.319 3.336 -10.606 1.00 1.00 C ATOM 162 C LYS A 12 -3.136 4.222 -10.212 1.00 1.00 C ATOM 163 O LYS A 12 -3.133 4.816 -9.135 1.00 1.00 O ATOM 164 CB LYS A 12 -5.442 4.091 -11.320 1.00 1.00 C ATOM 165 CG LYS A 12 -6.287 3.141 -12.171 1.00 1.00 C ATOM 166 CD LYS A 12 -6.646 3.780 -13.514 1.00 1.00 C ATOM 167 CE LYS A 12 -7.960 3.216 -14.056 1.00 1.00 C ATOM 168 NZ LYS A 12 -8.081 3.484 -15.506 1.00 1.00 N ATOM 0 H LYS A 12 -5.846 2.649 -9.347 1.00 1.00 H new ATOM 0 HA LYS A 12 -3.947 2.609 -11.328 1.00 1.00 H new ATOM 0 HB2 LYS A 12 -6.076 4.588 -10.585 1.00 1.00 H new ATOM 0 HB3 LYS A 12 -5.016 4.870 -11.952 1.00 1.00 H new ATOM 0 HG2 LYS A 12 -5.739 2.214 -12.340 1.00 1.00 H new ATOM 0 HG3 LYS A 12 -7.198 2.879 -11.634 1.00 1.00 H new ATOM 0 HD2 LYS A 12 -6.731 4.860 -13.395 1.00 1.00 H new ATOM 0 HD3 LYS A 12 -5.846 3.600 -14.232 1.00 1.00 H new ATOM 0 HE2 LYS A 12 -8.004 2.142 -13.874 1.00 1.00 H new ATOM 0 HE3 LYS A 12 -8.801 3.664 -13.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 -8.979 3.094 -15.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 -8.060 4.510 -15.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 -7.289 3.036 -16.009 1.00 1.00 H new ATOM 181 N GLY A 13 -2.159 4.282 -11.105 1.00 1.00 N ATOM 182 CA GLY A 13 -0.973 5.086 -10.863 1.00 1.00 C ATOM 183 C GLY A 13 -0.555 5.841 -12.127 1.00 1.00 C ATOM 184 O GLY A 13 -1.377 6.502 -12.760 1.00 1.00 O ATOM 0 H GLY A 13 -2.164 3.787 -11.997 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -1.168 5.796 -10.059 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -0.156 4.445 -10.531 1.00 1.00 H new ATOM 188 N SER A 14 0.722 5.717 -12.457 1.00 1.00 N ATOM 189 CA SER A 14 1.258 6.379 -13.634 1.00 1.00 C ATOM 190 C SER A 14 0.703 5.726 -14.901 1.00 1.00 C ATOM 191 O SER A 14 0.089 6.396 -15.730 1.00 1.00 O ATOM 192 CB SER A 14 2.788 6.336 -13.641 1.00 1.00 C ATOM 193 OG SER A 14 3.284 5.007 -13.506 1.00 1.00 O ATOM 0 H SER A 14 1.401 5.168 -11.930 1.00 1.00 H new ATOM 0 HA SER A 14 0.951 7.424 -13.608 1.00 1.00 H new ATOM 0 HB2 SER A 14 3.159 6.769 -14.570 1.00 1.00 H new ATOM 0 HB3 SER A 14 3.172 6.951 -12.827 1.00 1.00 H new ATOM 0 HG SER A 14 4.250 5.033 -13.342 1.00 1.00 H new ATOM 199 N GLN A 15 0.938 4.427 -15.011 1.00 1.00 N ATOM 200 CA GLN A 15 0.468 3.676 -16.163 1.00 1.00 C ATOM 201 C GLN A 15 0.354 2.190 -15.817 1.00 1.00 C ATOM 202 O GLN A 15 0.481 1.334 -16.692 1.00 1.00 O ATOM 203 CB GLN A 15 1.387 3.890 -17.368 1.00 1.00 C ATOM 204 CG GLN A 15 0.768 4.875 -18.361 1.00 1.00 C ATOM 205 CD GLN A 15 0.559 4.219 -19.727 1.00 1.00 C ATOM 206 OE1 GLN A 15 1.490 3.776 -20.380 1.00 1.00 O ATOM 207 NE2 GLN A 15 -0.710 4.181 -20.122 1.00 1.00 N ATOM 0 H GLN A 15 1.448 3.875 -14.321 1.00 1.00 H new ATOM 0 HA GLN A 15 -0.522 4.043 -16.433 1.00 1.00 H new ATOM 0 HB2 GLN A 15 2.353 4.266 -17.031 1.00 1.00 H new ATOM 0 HB3 GLN A 15 1.572 2.937 -17.863 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -0.187 5.233 -17.976 1.00 1.00 H new ATOM 0 HG3 GLN A 15 1.416 5.745 -18.467 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -1.441 4.570 -19.527 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -0.952 3.763 -21.020 1.00 1.00 H new ATOM 216 N LYS A 16 0.116 1.929 -14.540 1.00 1.00 N ATOM 217 CA LYS A 16 -0.017 0.561 -14.068 1.00 1.00 C ATOM 218 C LYS A 16 -1.203 0.471 -13.106 1.00 1.00 C ATOM 219 O LYS A 16 -1.527 1.441 -12.422 1.00 1.00 O ATOM 220 CB LYS A 16 1.302 0.072 -13.466 1.00 1.00 C ATOM 221 CG LYS A 16 2.413 0.058 -14.518 1.00 1.00 C ATOM 222 CD LYS A 16 3.793 0.081 -13.858 1.00 1.00 C ATOM 223 CE LYS A 16 4.759 0.975 -14.637 1.00 1.00 C ATOM 224 NZ LYS A 16 6.112 0.377 -14.665 1.00 1.00 N ATOM 0 H LYS A 16 0.012 2.642 -13.818 1.00 1.00 H new ATOM 0 HA LYS A 16 -0.230 -0.110 -14.900 1.00 1.00 H new ATOM 0 HB2 LYS A 16 1.589 0.719 -12.637 1.00 1.00 H new ATOM 0 HB3 LYS A 16 1.170 -0.930 -13.058 1.00 1.00 H new ATOM 0 HG2 LYS A 16 2.318 -0.832 -15.140 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.306 0.920 -15.176 1.00 1.00 H new ATOM 0 HD2 LYS A 16 3.704 0.442 -12.833 1.00 1.00 H new ATOM 0 HD3 LYS A 16 4.192 -0.932 -13.805 1.00 1.00 H new ATOM 0 HE2 LYS A 16 4.395 1.113 -15.655 1.00 1.00 H new ATOM 0 HE3 LYS A 16 4.801 1.962 -14.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 6.800 1.090 -14.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.367 0.050 -13.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.122 -0.430 -15.321 1.00 1.00 H new ATOM 237 N THR A 17 -1.818 -0.702 -13.084 1.00 1.00 N ATOM 238 CA THR A 17 -2.961 -0.932 -12.217 1.00 1.00 C ATOM 239 C THR A 17 -2.723 -2.158 -11.334 1.00 1.00 C ATOM 240 O THR A 17 -2.660 -3.282 -11.830 1.00 1.00 O ATOM 241 CB THR A 17 -4.207 -1.049 -13.098 1.00 1.00 C ATOM 242 OG1 THR A 17 -4.373 0.258 -13.641 1.00 1.00 O ATOM 243 CG2 THR A 17 -5.481 -1.279 -12.283 1.00 1.00 C ATOM 0 H THR A 17 -1.546 -1.504 -13.653 1.00 1.00 H new ATOM 0 HA THR A 17 -3.109 -0.100 -11.529 1.00 1.00 H new ATOM 0 HB THR A 17 -4.076 -1.868 -13.805 1.00 1.00 H new ATOM 0 HG1 THR A 17 -5.159 0.272 -14.227 1.00 1.00 H new ATOM 0 HG21 THR A 17 -6.335 -1.355 -12.956 1.00 1.00 H new ATOM 0 HG22 THR A 17 -5.386 -2.203 -11.712 1.00 1.00 H new ATOM 0 HG23 THR A 17 -5.631 -0.444 -11.599 1.00 1.00 H new ATOM 251 N VAL A 18 -2.598 -1.901 -10.040 1.00 1.00 N ATOM 252 CA VAL A 18 -2.369 -2.970 -9.083 1.00 1.00 C ATOM 253 C VAL A 18 -3.581 -3.088 -8.157 1.00 1.00 C ATOM 254 O VAL A 18 -3.914 -2.145 -7.441 1.00 1.00 O ATOM 255 CB VAL A 18 -1.061 -2.725 -8.328 1.00 1.00 C ATOM 256 CG1 VAL A 18 -0.773 -3.862 -7.346 1.00 1.00 C ATOM 257 CG2 VAL A 18 0.105 -2.532 -9.300 1.00 1.00 C ATOM 0 H VAL A 18 -2.651 -0.968 -9.632 1.00 1.00 H new ATOM 0 HA VAL A 18 -2.258 -3.925 -9.596 1.00 1.00 H new ATOM 0 HB VAL A 18 -1.174 -1.806 -7.753 1.00 1.00 H new ATOM 0 HG11 VAL A 18 0.162 -3.663 -6.823 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -1.585 -3.933 -6.623 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -0.690 -4.802 -7.892 1.00 1.00 H new ATOM 0 HG21 VAL A 18 1.023 -2.360 -8.738 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.218 -3.425 -9.914 1.00 1.00 H new ATOM 0 HG23 VAL A 18 -0.094 -1.673 -9.941 1.00 1.00 H new ATOM 267 N MET A 19 -4.207 -4.255 -8.201 1.00 1.00 N ATOM 268 CA MET A 19 -5.375 -4.509 -7.374 1.00 1.00 C ATOM 269 C MET A 19 -4.977 -4.713 -5.911 1.00 1.00 C ATOM 270 O MET A 19 -3.856 -5.127 -5.621 1.00 1.00 O ATOM 271 CB MET A 19 -6.101 -5.755 -7.885 1.00 1.00 C ATOM 272 CG MET A 19 -6.540 -5.577 -9.339 1.00 1.00 C ATOM 273 SD MET A 19 -8.316 -5.423 -9.426 1.00 1.00 S ATOM 274 CE MET A 19 -8.565 -5.692 -11.174 1.00 1.00 C ATOM 0 H MET A 19 -3.928 -5.035 -8.796 1.00 1.00 H new ATOM 0 HA MET A 19 -6.035 -3.643 -7.434 1.00 1.00 H new ATOM 0 HB2 MET A 19 -5.445 -6.622 -7.803 1.00 1.00 H new ATOM 0 HB3 MET A 19 -6.972 -5.954 -7.260 1.00 1.00 H new ATOM 0 HG2 MET A 19 -6.069 -4.691 -9.764 1.00 1.00 H new ATOM 0 HG3 MET A 19 -6.211 -6.429 -9.934 1.00 1.00 H new ATOM 0 HE1 MET A 19 -9.629 -5.630 -11.404 1.00 1.00 H new ATOM 0 HE2 MET A 19 -8.026 -4.932 -11.740 1.00 1.00 H new ATOM 0 HE3 MET A 19 -8.192 -6.679 -11.447 1.00 1.00 H new ATOM 284 N PHE A 20 -5.918 -4.412 -5.028 1.00 1.00 N ATOM 285 CA PHE A 20 -5.680 -4.557 -3.602 1.00 1.00 C ATOM 286 C PHE A 20 -6.922 -5.098 -2.891 1.00 1.00 C ATOM 287 O PHE A 20 -7.969 -4.459 -2.830 1.00 1.00 O ATOM 288 CB PHE A 20 -5.362 -3.162 -3.058 1.00 1.00 C ATOM 289 CG PHE A 20 -5.324 -3.085 -1.530 1.00 1.00 C ATOM 290 CD1 PHE A 20 -6.466 -2.842 -0.833 1.00 1.00 C ATOM 291 CD2 PHE A 20 -4.148 -3.259 -0.870 1.00 1.00 C ATOM 292 CE1 PHE A 20 -6.431 -2.770 0.585 1.00 1.00 C ATOM 293 CE2 PHE A 20 -4.112 -3.187 0.548 1.00 1.00 C ATOM 294 CZ PHE A 20 -5.254 -2.944 1.245 1.00 1.00 C ATOM 0 H PHE A 20 -6.847 -4.068 -5.273 1.00 1.00 H new ATOM 0 HA PHE A 20 -4.862 -5.257 -3.430 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -4.398 -2.840 -3.452 1.00 1.00 H new ATOM 0 HB3 PHE A 20 -6.108 -2.460 -3.429 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -7.400 -2.704 -1.358 1.00 1.00 H new ATOM 0 HD2 PHE A 20 -3.241 -3.452 -1.424 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -7.338 -2.577 1.139 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -3.178 -3.325 1.072 1.00 1.00 H new ATOM 0 HZ PHE A 20 -5.227 -2.889 2.323 1.00 1.00 H new ATOM 304 N PRO A 21 -6.777 -6.309 -2.347 1.00 1.00 N ATOM 305 CA PRO A 21 -7.819 -7.009 -1.627 1.00 1.00 C ATOM 306 C PRO A 21 -7.803 -6.586 -0.166 1.00 1.00 C ATOM 307 O PRO A 21 -6.727 -6.502 0.423 1.00 1.00 O ATOM 308 CB PRO A 21 -7.469 -8.488 -1.773 1.00 1.00 C ATOM 309 CG PRO A 21 -5.900 -8.399 -1.696 1.00 1.00 C ATOM 310 CD PRO A 21 -5.560 -7.088 -2.400 1.00 1.00 C ATOM 0 HA PRO A 21 -8.817 -6.794 -2.009 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -7.893 -9.098 -0.975 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -7.818 -8.909 -2.716 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.552 -8.397 -0.663 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.429 -9.249 -2.190 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -4.739 -6.573 -1.900 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -5.247 -7.262 -3.430 1.00 1.00 H new ATOM 318 N HIS A 22 -8.985 -6.326 0.394 1.00 1.00 N ATOM 319 CA HIS A 22 -9.128 -5.909 1.785 1.00 1.00 C ATOM 320 C HIS A 22 -9.193 -7.148 2.696 1.00 1.00 C ATOM 321 O HIS A 22 -8.654 -7.131 3.802 1.00 1.00 O ATOM 322 CB HIS A 22 -10.341 -4.975 1.901 1.00 1.00 C ATOM 323 CG HIS A 22 -10.064 -3.490 1.845 1.00 1.00 C ATOM 324 ND1 HIS A 22 -10.241 -2.766 0.735 1.00 1.00 N ATOM 325 CD2 HIS A 22 -9.613 -2.615 2.804 1.00 1.00 C ATOM 326 CE1 HIS A 22 -9.914 -1.490 0.993 1.00 1.00 C ATOM 327 NE2 HIS A 22 -9.520 -1.341 2.257 1.00 1.00 N ATOM 0 H HIS A 22 -9.870 -6.399 -0.107 1.00 1.00 H new ATOM 0 HA HIS A 22 -8.262 -5.340 2.122 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -11.038 -5.221 1.100 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -10.848 -5.191 2.842 1.00 1.00 H new ATOM 0 HD1 HIS A 22 -10.571 -3.125 -0.161 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -9.369 -2.877 3.823 1.00 1.00 H new ATOM 0 HE1 HIS A 22 -9.964 -0.689 0.270 1.00 1.00 H new ATOM 335 N ALA A 23 -9.851 -8.184 2.198 1.00 1.00 N ATOM 336 CA ALA A 23 -9.988 -9.418 2.954 1.00 1.00 C ATOM 337 C ALA A 23 -8.644 -9.768 3.597 1.00 1.00 C ATOM 338 O ALA A 23 -8.470 -9.717 4.812 1.00 1.00 O ATOM 339 CB ALA A 23 -10.500 -10.527 2.032 1.00 1.00 C ATOM 0 H ALA A 23 -10.295 -8.195 1.280 1.00 1.00 H new ATOM 0 HA ALA A 23 -10.716 -9.299 3.756 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -10.603 -11.453 2.598 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -11.470 -10.242 1.624 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -9.793 -10.678 1.216 1.00 1.00 H new ATOM 345 N PRO A 24 -7.686 -10.129 2.741 1.00 1.00 N ATOM 346 CA PRO A 24 -6.342 -10.499 3.129 1.00 1.00 C ATOM 347 C PRO A 24 -5.863 -9.584 4.247 1.00 1.00 C ATOM 348 O PRO A 24 -5.157 -10.046 5.141 1.00 1.00 O ATOM 349 CB PRO A 24 -5.503 -10.308 1.867 1.00 1.00 C ATOM 350 CG PRO A 24 -6.467 -10.515 0.758 1.00 1.00 C ATOM 351 CD PRO A 24 -7.857 -10.199 1.306 1.00 1.00 C ATOM 0 HA PRO A 24 -6.275 -11.520 3.503 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -5.060 -9.313 1.830 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -4.683 -11.024 1.821 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.229 -9.867 -0.085 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.421 -11.541 0.394 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -8.234 -9.257 0.907 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -8.575 -10.972 1.031 1.00 1.00 H new ATOM 359 N HIS A 25 -6.249 -8.309 4.181 1.00 1.00 N ATOM 360 CA HIS A 25 -5.868 -7.314 5.178 1.00 1.00 C ATOM 361 C HIS A 25 -7.061 -7.024 6.106 1.00 1.00 C ATOM 362 O HIS A 25 -7.316 -5.868 6.442 1.00 1.00 O ATOM 363 CB HIS A 25 -5.311 -6.077 4.458 1.00 1.00 C ATOM 364 CG HIS A 25 -4.124 -6.296 3.549 1.00 1.00 C ATOM 365 ND1 HIS A 25 -4.254 -6.695 2.280 1.00 1.00 N ATOM 366 CD2 HIS A 25 -2.775 -6.158 3.770 1.00 1.00 C ATOM 367 CE1 HIS A 25 -3.033 -6.801 1.732 1.00 1.00 C ATOM 368 NE2 HIS A 25 -2.083 -6.481 2.609 1.00 1.00 N ATOM 0 H HIS A 25 -6.835 -7.939 3.433 1.00 1.00 H new ATOM 0 HA HIS A 25 -5.073 -7.682 5.826 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -6.115 -5.637 3.868 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -5.030 -5.342 5.213 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -5.136 -6.887 1.806 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -2.323 -5.847 4.700 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -2.846 -7.106 0.713 1.00 1.00 H new ATOM 376 N GLU A 26 -7.752 -8.087 6.491 1.00 1.00 N ATOM 377 CA GLU A 26 -8.903 -7.954 7.368 1.00 1.00 C ATOM 378 C GLU A 26 -8.517 -8.306 8.806 1.00 1.00 C ATOM 379 O GLU A 26 -9.266 -8.986 9.505 1.00 1.00 O ATOM 380 CB GLU A 26 -10.065 -8.824 6.884 1.00 1.00 C ATOM 381 CG GLU A 26 -11.384 -8.381 7.521 1.00 1.00 C ATOM 382 CD GLU A 26 -11.835 -7.030 6.963 1.00 1.00 C ATOM 383 OE1 GLU A 26 -11.287 -5.986 7.348 1.00 1.00 O ATOM 384 OE2 GLU A 26 -12.791 -7.088 6.099 1.00 1.00 O ATOM 0 H GLU A 26 -7.537 -9.044 6.212 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.235 -6.916 7.345 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.143 -8.762 5.799 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.870 -9.868 7.131 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -12.153 -9.131 7.334 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -11.264 -8.310 8.602 1.00 1.00 H new ATOM 392 N LYS A 27 -7.347 -7.827 9.205 1.00 1.00 N ATOM 393 CA LYS A 27 -6.853 -8.083 10.547 1.00 1.00 C ATOM 394 C LYS A 27 -6.294 -6.786 11.136 1.00 1.00 C ATOM 395 O LYS A 27 -6.584 -6.444 12.281 1.00 1.00 O ATOM 396 CB LYS A 27 -5.848 -9.237 10.538 1.00 1.00 C ATOM 397 CG LYS A 27 -5.082 -9.285 9.214 1.00 1.00 C ATOM 398 CD LYS A 27 -5.758 -10.234 8.223 1.00 1.00 C ATOM 399 CE LYS A 27 -5.006 -11.564 8.136 1.00 1.00 C ATOM 400 NZ LYS A 27 -5.745 -12.626 8.855 1.00 1.00 N ATOM 0 H LYS A 27 -6.728 -7.264 8.622 1.00 1.00 H new ATOM 0 HA LYS A 27 -7.667 -8.405 11.197 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -5.147 -9.120 11.364 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -6.371 -10.181 10.695 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -5.027 -8.284 8.785 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -4.058 -9.611 9.394 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -6.788 -10.414 8.531 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -5.797 -9.769 7.238 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -4.876 -11.847 7.091 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -4.009 -11.453 8.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -5.221 -13.522 8.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -5.848 -12.361 9.855 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.687 -12.743 8.430 1.00 1.00 H new ATOM 413 N VAL A 28 -5.502 -6.099 10.325 1.00 1.00 N ATOM 414 CA VAL A 28 -4.900 -4.847 10.751 1.00 1.00 C ATOM 415 C VAL A 28 -5.977 -3.763 10.813 1.00 1.00 C ATOM 416 O VAL A 28 -6.849 -3.700 9.947 1.00 1.00 O ATOM 417 CB VAL A 28 -3.738 -4.484 9.825 1.00 1.00 C ATOM 418 CG1 VAL A 28 -2.822 -3.445 10.476 1.00 1.00 C ATOM 419 CG2 VAL A 28 -2.950 -5.731 9.417 1.00 1.00 C ATOM 0 H VAL A 28 -5.264 -6.386 9.376 1.00 1.00 H new ATOM 0 HA VAL A 28 -4.481 -4.946 11.752 1.00 1.00 H new ATOM 0 HB VAL A 28 -4.157 -4.042 8.921 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -2.004 -3.205 9.797 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -3.392 -2.541 10.692 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -2.416 -3.848 11.404 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -2.130 -5.444 8.759 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -2.548 -6.215 10.307 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -3.610 -6.423 8.894 1.00 1.00 H new ATOM 429 N GLU A 29 -5.881 -2.936 11.844 1.00 1.00 N ATOM 430 CA GLU A 29 -6.837 -1.857 12.029 1.00 1.00 C ATOM 431 C GLU A 29 -6.945 -1.019 10.754 1.00 1.00 C ATOM 432 O GLU A 29 -6.229 -1.263 9.784 1.00 1.00 O ATOM 433 CB GLU A 29 -6.455 -0.987 13.227 1.00 1.00 C ATOM 434 CG GLU A 29 -6.045 -1.849 14.423 1.00 1.00 C ATOM 435 CD GLU A 29 -6.421 -1.171 15.742 1.00 1.00 C ATOM 436 OE1 GLU A 29 -5.622 -0.399 16.292 1.00 1.00 O ATOM 437 OE2 GLU A 29 -7.591 -1.471 16.195 1.00 1.00 O ATOM 0 H GLU A 29 -5.156 -2.991 12.560 1.00 1.00 H new ATOM 0 HA GLU A 29 -7.814 -2.294 12.236 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.634 -0.325 12.953 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -7.297 -0.353 13.503 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -6.532 -2.822 14.358 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -4.970 -2.028 14.395 1.00 1.00 H new ATOM 445 N CYS A 30 -7.845 -0.047 10.797 1.00 1.00 N ATOM 446 CA CYS A 30 -8.056 0.829 9.657 1.00 1.00 C ATOM 447 C CYS A 30 -7.266 2.118 9.890 1.00 1.00 C ATOM 448 O CYS A 30 -7.600 3.164 9.335 1.00 1.00 O ATOM 449 CB CYS A 30 -9.542 1.105 9.423 1.00 1.00 C ATOM 450 SG CYS A 30 -10.642 -0.331 9.698 1.00 1.00 S ATOM 0 H CYS A 30 -8.436 0.153 11.604 1.00 1.00 H new ATOM 0 HA CYS A 30 -7.697 0.343 8.750 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -9.855 1.916 10.081 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -9.675 1.456 8.400 1.00 1.00 H new ATOM 455 N VAL A 31 -6.232 2.001 10.711 1.00 1.00 N ATOM 456 CA VAL A 31 -5.392 3.145 11.024 1.00 1.00 C ATOM 457 C VAL A 31 -3.959 2.857 10.572 1.00 1.00 C ATOM 458 O VAL A 31 -3.167 3.780 10.383 1.00 1.00 O ATOM 459 CB VAL A 31 -5.494 3.477 12.514 1.00 1.00 C ATOM 460 CG1 VAL A 31 -4.510 2.637 13.331 1.00 1.00 C ATOM 461 CG2 VAL A 31 -5.274 4.971 12.759 1.00 1.00 C ATOM 0 H VAL A 31 -5.957 1.132 11.169 1.00 1.00 H new ATOM 0 HA VAL A 31 -5.732 4.029 10.484 1.00 1.00 H new ATOM 0 HB VAL A 31 -6.502 3.228 12.845 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -4.603 2.892 14.387 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -4.733 1.579 13.193 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -3.493 2.841 12.996 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -5.352 5.180 13.826 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -4.283 5.256 12.405 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -6.030 5.543 12.221 1.00 1.00 H new ATOM 471 N THR A 32 -3.668 1.575 10.412 1.00 1.00 N ATOM 472 CA THR A 32 -2.344 1.155 9.986 1.00 1.00 C ATOM 473 C THR A 32 -2.077 1.609 8.550 1.00 1.00 C ATOM 474 O THR A 32 -0.978 2.059 8.231 1.00 1.00 O ATOM 475 CB THR A 32 -2.246 -0.361 10.172 1.00 1.00 C ATOM 476 OG1 THR A 32 -2.227 -0.536 11.586 1.00 1.00 O ATOM 477 CG2 THR A 32 -0.900 -0.922 9.709 1.00 1.00 C ATOM 0 H THR A 32 -4.327 0.813 10.570 1.00 1.00 H new ATOM 0 HA THR A 32 -1.567 1.622 10.591 1.00 1.00 H new ATOM 0 HB THR A 32 -3.051 -0.847 9.621 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.713 -1.340 11.809 1.00 1.00 H new ATOM 0 HG21 THR A 32 -0.883 -2.001 9.863 1.00 1.00 H new ATOM 0 HG22 THR A 32 -0.760 -0.704 8.650 1.00 1.00 H new ATOM 0 HG23 THR A 32 -0.097 -0.461 10.284 1.00 1.00 H new ATOM 485 N CYS A 33 -3.102 1.474 7.720 1.00 1.00 N ATOM 486 CA CYS A 33 -2.991 1.865 6.325 1.00 1.00 C ATOM 487 C CYS A 33 -3.564 3.275 6.175 1.00 1.00 C ATOM 488 O CYS A 33 -2.874 4.192 5.735 1.00 1.00 O ATOM 489 CB CYS A 33 -3.688 0.864 5.401 1.00 1.00 C ATOM 490 SG CYS A 33 -2.624 -0.604 5.152 1.00 1.00 S ATOM 0 H CYS A 33 -4.012 1.100 7.987 1.00 1.00 H new ATOM 0 HA CYS A 33 -1.943 1.866 6.026 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -4.643 0.562 5.832 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -3.905 1.333 4.441 1.00 1.00 H new ATOM 495 N HIS A 34 -4.836 3.410 6.551 1.00 1.00 N ATOM 496 CA HIS A 34 -5.553 4.679 6.480 1.00 1.00 C ATOM 497 C HIS A 34 -5.106 5.594 7.635 1.00 1.00 C ATOM 498 O HIS A 34 -5.864 5.831 8.573 1.00 1.00 O ATOM 499 CB HIS A 34 -7.062 4.396 6.446 1.00 1.00 C ATOM 500 CG HIS A 34 -7.580 3.611 5.263 1.00 1.00 C ATOM 501 ND1 HIS A 34 -7.805 4.171 4.071 1.00 1.00 N ATOM 502 CD2 HIS A 34 -7.909 2.283 5.130 1.00 1.00 C ATOM 503 CE1 HIS A 34 -8.258 3.230 3.228 1.00 1.00 C ATOM 504 NE2 HIS A 34 -8.341 2.045 3.830 1.00 1.00 N ATOM 0 H HIS A 34 -5.397 2.640 6.914 1.00 1.00 H new ATOM 0 HA HIS A 34 -5.316 5.221 5.564 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -7.327 3.856 7.355 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -7.588 5.350 6.477 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -7.657 5.153 3.839 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -7.842 1.541 5.912 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -8.521 3.410 2.196 1.00 1.00 H new ATOM 512 N HIS A 35 -3.872 6.087 7.528 1.00 1.00 N ATOM 513 CA HIS A 35 -3.283 6.971 8.526 1.00 1.00 C ATOM 514 C HIS A 35 -4.138 8.244 8.663 1.00 1.00 C ATOM 515 O HIS A 35 -4.715 8.710 7.682 1.00 1.00 O ATOM 516 CB HIS A 35 -1.815 7.233 8.155 1.00 1.00 C ATOM 517 CG HIS A 35 -1.565 8.116 6.955 1.00 1.00 C ATOM 518 ND1 HIS A 35 -1.990 9.381 6.891 1.00 1.00 N ATOM 519 CD2 HIS A 35 -0.915 7.870 5.768 1.00 1.00 C ATOM 520 CE1 HIS A 35 -1.620 9.904 5.712 1.00 1.00 C ATOM 521 NE2 HIS A 35 -0.953 9.013 4.979 1.00 1.00 N ATOM 0 H HIS A 35 -3.253 5.882 6.743 1.00 1.00 H new ATOM 0 HA HIS A 35 -3.278 6.510 9.514 1.00 1.00 H new ATOM 0 HB2 HIS A 35 -1.321 7.682 9.017 1.00 1.00 H new ATOM 0 HB3 HIS A 35 -1.333 6.272 7.977 1.00 1.00 H new ATOM 0 HD1 HIS A 35 -2.511 9.869 7.619 1.00 1.00 H new ATOM 0 HD2 HIS A 35 -0.449 6.936 5.493 1.00 1.00 H new ATOM 0 HE1 HIS A 35 -1.835 10.915 5.398 1.00 1.00 H new ATOM 529 N LEU A 36 -4.188 8.765 9.880 1.00 1.00 N ATOM 530 CA LEU A 36 -4.958 9.968 10.148 1.00 1.00 C ATOM 531 C LEU A 36 -4.392 11.125 9.324 1.00 1.00 C ATOM 532 O LEU A 36 -3.196 11.163 9.039 1.00 1.00 O ATOM 533 CB LEU A 36 -5.006 10.249 11.651 1.00 1.00 C ATOM 534 CG LEU A 36 -5.803 9.253 12.495 1.00 1.00 C ATOM 535 CD1 LEU A 36 -5.525 9.451 13.987 1.00 1.00 C ATOM 536 CD2 LEU A 36 -7.297 9.334 12.175 1.00 1.00 C ATOM 0 H LEU A 36 -3.708 8.376 10.692 1.00 1.00 H new ATOM 0 HA LEU A 36 -5.995 9.834 9.839 1.00 1.00 H new ATOM 0 HB2 LEU A 36 -3.984 10.278 12.028 1.00 1.00 H new ATOM 0 HB3 LEU A 36 -5.429 11.242 11.801 1.00 1.00 H new ATOM 0 HG LEU A 36 -5.473 8.247 12.237 1.00 1.00 H new ATOM 0 HD11 LEU A 36 -6.104 8.730 14.564 1.00 1.00 H new ATOM 0 HD12 LEU A 36 -4.463 9.302 14.182 1.00 1.00 H new ATOM 0 HD13 LEU A 36 -5.809 10.462 14.279 1.00 1.00 H new ATOM 0 HD21 LEU A 36 -7.840 8.616 12.789 1.00 1.00 H new ATOM 0 HD22 LEU A 36 -7.660 10.340 12.386 1.00 1.00 H new ATOM 0 HD23 LEU A 36 -7.456 9.105 11.121 1.00 1.00 H new ATOM 548 N VAL A 37 -5.278 12.042 8.963 1.00 1.00 N ATOM 549 CA VAL A 37 -4.882 13.198 8.176 1.00 1.00 C ATOM 550 C VAL A 37 -5.009 14.459 9.033 1.00 1.00 C ATOM 551 O VAL A 37 -6.099 15.011 9.174 1.00 1.00 O ATOM 552 CB VAL A 37 -5.707 13.263 6.890 1.00 1.00 C ATOM 553 CG1 VAL A 37 -5.992 14.713 6.494 1.00 1.00 C ATOM 554 CG2 VAL A 37 -5.011 12.512 5.753 1.00 1.00 C ATOM 0 H VAL A 37 -6.269 12.008 9.201 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.839 13.115 7.872 1.00 1.00 H new ATOM 0 HB VAL A 37 -6.662 12.773 7.080 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -6.580 14.731 5.576 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -6.549 15.205 7.291 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -5.050 15.238 6.332 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.619 12.574 4.850 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -4.035 12.960 5.565 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.882 11.466 6.033 1.00 1.00 H new ATOM 564 N ASP A 38 -3.878 14.880 9.581 1.00 1.00 N ATOM 565 CA ASP A 38 -3.849 16.066 10.419 1.00 1.00 C ATOM 566 C ASP A 38 -4.624 15.793 11.710 1.00 1.00 C ATOM 567 O ASP A 38 -5.357 16.655 12.192 1.00 1.00 O ATOM 568 CB ASP A 38 -4.506 17.254 9.715 1.00 1.00 C ATOM 569 CG ASP A 38 -3.997 18.629 10.154 1.00 1.00 C ATOM 570 OD1 ASP A 38 -2.790 18.910 10.100 1.00 1.00 O ATOM 571 OD2 ASP A 38 -4.909 19.441 10.571 1.00 1.00 O ATOM 0 H ASP A 38 -2.975 14.421 9.461 1.00 1.00 H new ATOM 0 HA ASP A 38 -2.806 16.304 10.630 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -4.351 17.152 8.641 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -5.581 17.210 9.887 1.00 1.00 H new ATOM 577 N GLY A 39 -4.437 14.590 12.232 1.00 1.00 N ATOM 578 CA GLY A 39 -5.110 14.192 13.457 1.00 1.00 C ATOM 579 C GLY A 39 -6.626 14.140 13.257 1.00 1.00 C ATOM 580 O GLY A 39 -7.387 14.400 14.188 1.00 1.00 O ATOM 0 H GLY A 39 -3.829 13.877 11.829 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -4.748 13.214 13.774 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -4.869 14.895 14.254 1.00 1.00 H new ATOM 584 N LYS A 40 -7.019 13.803 12.038 1.00 1.00 N ATOM 585 CA LYS A 40 -8.431 13.714 11.705 1.00 1.00 C ATOM 586 C LYS A 40 -8.679 12.440 10.894 1.00 1.00 C ATOM 587 O LYS A 40 -7.806 11.991 10.154 1.00 1.00 O ATOM 588 CB LYS A 40 -8.897 14.991 11.002 1.00 1.00 C ATOM 589 CG LYS A 40 -8.712 14.881 9.487 1.00 1.00 C ATOM 590 CD LYS A 40 -10.059 14.710 8.782 1.00 1.00 C ATOM 591 CE LYS A 40 -10.552 16.040 8.208 1.00 1.00 C ATOM 592 NZ LYS A 40 -10.606 15.979 6.731 1.00 1.00 N ATOM 0 H LYS A 40 -6.385 13.588 11.269 1.00 1.00 H new ATOM 0 HA LYS A 40 -9.033 13.639 12.611 1.00 1.00 H new ATOM 0 HB2 LYS A 40 -9.947 15.174 11.231 1.00 1.00 H new ATOM 0 HB3 LYS A 40 -8.334 15.845 11.380 1.00 1.00 H new ATOM 0 HG2 LYS A 40 -8.212 15.774 9.112 1.00 1.00 H new ATOM 0 HG3 LYS A 40 -8.066 14.034 9.256 1.00 1.00 H new ATOM 0 HD2 LYS A 40 -9.963 13.977 7.981 1.00 1.00 H new ATOM 0 HD3 LYS A 40 -10.794 14.319 9.485 1.00 1.00 H new ATOM 0 HE2 LYS A 40 -11.541 16.270 8.605 1.00 1.00 H new ATOM 0 HE3 LYS A 40 -9.888 16.846 8.520 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 -10.943 16.890 6.358 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 -9.656 15.781 6.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 -11.258 15.223 6.438 1.00 1.00 H new ATOM 605 N GLU A 41 -9.875 11.895 11.062 1.00 1.00 N ATOM 606 CA GLU A 41 -10.250 10.682 10.355 1.00 1.00 C ATOM 607 C GLU A 41 -10.406 10.965 8.860 1.00 1.00 C ATOM 608 O GLU A 41 -10.921 12.013 8.474 1.00 1.00 O ATOM 609 CB GLU A 41 -11.532 10.082 10.936 1.00 1.00 C ATOM 610 CG GLU A 41 -11.887 8.767 10.240 1.00 1.00 C ATOM 611 CD GLU A 41 -13.350 8.393 10.488 1.00 1.00 C ATOM 612 OE1 GLU A 41 -14.204 8.620 9.619 1.00 1.00 O ATOM 613 OE2 GLU A 41 -13.586 7.847 11.633 1.00 1.00 O ATOM 0 H GLU A 41 -10.597 12.271 11.677 1.00 1.00 H new ATOM 0 HA GLU A 41 -9.454 9.949 10.485 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -11.405 9.909 12.005 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -12.353 10.790 10.823 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -11.708 8.858 9.169 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -11.238 7.971 10.605 1.00 1.00 H new ATOM 621 N SER A 42 -9.952 10.013 8.059 1.00 1.00 N ATOM 622 CA SER A 42 -10.035 10.147 6.614 1.00 1.00 C ATOM 623 C SER A 42 -10.045 8.764 5.960 1.00 1.00 C ATOM 624 O SER A 42 -9.688 7.754 6.562 1.00 1.00 O ATOM 625 CB SER A 42 -8.873 10.982 6.071 1.00 1.00 C ATOM 626 OG SER A 42 -9.311 11.949 5.120 1.00 1.00 O ATOM 0 H SER A 42 -9.525 9.145 8.383 1.00 1.00 H new ATOM 0 HA SER A 42 -10.964 10.664 6.371 1.00 1.00 H new ATOM 0 HB2 SER A 42 -8.372 11.487 6.897 1.00 1.00 H new ATOM 0 HB3 SER A 42 -8.139 10.323 5.607 1.00 1.00 H new ATOM 0 HG SER A 42 -8.541 12.463 4.798 1.00 1.00 H new ATOM 632 N TYR A 43 -10.469 8.742 4.694 1.00 1.00 N ATOM 633 CA TYR A 43 -10.540 7.510 3.935 1.00 1.00 C ATOM 634 C TYR A 43 -10.544 7.821 2.445 1.00 1.00 C ATOM 635 O TYR A 43 -11.210 7.113 1.691 1.00 1.00 O ATOM 636 CB TYR A 43 -11.798 6.742 4.330 1.00 1.00 C ATOM 637 CG TYR A 43 -11.700 6.081 5.684 1.00 1.00 C ATOM 638 CD1 TYR A 43 -12.001 6.810 6.842 1.00 1.00 C ATOM 639 CD2 TYR A 43 -11.309 4.741 5.783 1.00 1.00 C ATOM 640 CE1 TYR A 43 -11.911 6.197 8.097 1.00 1.00 C ATOM 641 CE2 TYR A 43 -11.218 4.128 7.038 1.00 1.00 C ATOM 642 CZ TYR A 43 -11.520 4.856 8.196 1.00 1.00 C ATOM 643 OH TYR A 43 -11.432 4.260 9.419 1.00 1.00 O ATOM 0 H TYR A 43 -10.767 9.571 4.180 1.00 1.00 H new ATOM 0 HA TYR A 43 -9.669 6.893 4.155 1.00 1.00 H new ATOM 0 HB2 TYR A 43 -12.647 7.426 4.329 1.00 1.00 H new ATOM 0 HB3 TYR A 43 -12.001 5.981 3.577 1.00 1.00 H new ATOM 0 HD1 TYR A 43 -12.302 7.844 6.766 1.00 1.00 H new ATOM 0 HD2 TYR A 43 -11.077 4.179 4.890 1.00 1.00 H new ATOM 0 HE1 TYR A 43 -12.143 6.759 8.990 1.00 1.00 H new ATOM 0 HE2 TYR A 43 -10.915 3.094 7.114 1.00 1.00 H new ATOM 0 HH TYR A 43 -11.385 3.288 9.306 1.00 1.00 H new ATOM 653 N ALA A 44 -9.814 8.856 2.053 1.00 1.00 N ATOM 654 CA ALA A 44 -9.749 9.238 0.653 1.00 1.00 C ATOM 655 C ALA A 44 -8.679 8.401 -0.051 1.00 1.00 C ATOM 656 O ALA A 44 -8.033 7.561 0.574 1.00 1.00 O ATOM 657 CB ALA A 44 -9.478 10.740 0.545 1.00 1.00 C ATOM 0 H ALA A 44 -9.263 9.441 2.681 1.00 1.00 H new ATOM 0 HA ALA A 44 -10.700 9.042 0.158 1.00 1.00 H new ATOM 0 HB1 ALA A 44 -9.429 11.026 -0.506 1.00 1.00 H new ATOM 0 HB2 ALA A 44 -10.281 11.291 1.034 1.00 1.00 H new ATOM 0 HB3 ALA A 44 -8.530 10.974 1.029 1.00 1.00 H new ATOM 663 N LYS A 45 -8.525 8.658 -1.341 1.00 1.00 N ATOM 664 CA LYS A 45 -7.544 7.939 -2.136 1.00 1.00 C ATOM 665 C LYS A 45 -6.155 8.137 -1.526 1.00 1.00 C ATOM 666 O LYS A 45 -5.958 9.024 -0.698 1.00 1.00 O ATOM 667 CB LYS A 45 -7.636 8.356 -3.606 1.00 1.00 C ATOM 668 CG LYS A 45 -8.465 7.352 -4.410 1.00 1.00 C ATOM 669 CD LYS A 45 -9.623 8.048 -5.128 1.00 1.00 C ATOM 670 CE LYS A 45 -9.772 7.527 -6.559 1.00 1.00 C ATOM 671 NZ LYS A 45 -8.945 8.327 -7.490 1.00 1.00 N ATOM 0 H LYS A 45 -9.063 9.355 -1.856 1.00 1.00 H new ATOM 0 HA LYS A 45 -7.750 6.869 -2.119 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -8.086 9.346 -3.679 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -6.635 8.429 -4.030 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -7.829 6.851 -5.139 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -8.855 6.582 -3.745 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -10.549 7.882 -4.578 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -9.451 9.124 -5.145 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.472 6.480 -6.604 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -10.818 7.572 -6.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -9.057 7.960 -8.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -9.250 9.321 -7.459 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -7.946 8.263 -7.209 1.00 1.00 H new ATOM 684 N CYS A 46 -5.228 7.296 -1.961 1.00 1.00 N ATOM 685 CA CYS A 46 -3.863 7.367 -1.468 1.00 1.00 C ATOM 686 C CYS A 46 -3.057 8.259 -2.414 1.00 1.00 C ATOM 687 O CYS A 46 -1.832 8.166 -2.468 1.00 1.00 O ATOM 688 CB CYS A 46 -3.240 5.977 -1.324 1.00 1.00 C ATOM 689 SG CYS A 46 -4.155 4.836 -0.225 1.00 1.00 S ATOM 0 H CYS A 46 -5.395 6.562 -2.649 1.00 1.00 H new ATOM 0 HA CYS A 46 -3.857 7.800 -0.468 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -3.164 5.524 -2.313 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.224 6.087 -0.945 1.00 1.00 H new ATOM 694 N GLY A 47 -3.777 9.104 -3.137 1.00 1.00 N ATOM 695 CA GLY A 47 -3.144 10.012 -4.078 1.00 1.00 C ATOM 696 C GLY A 47 -4.108 11.122 -4.503 1.00 1.00 C ATOM 697 O GLY A 47 -4.409 11.268 -5.686 1.00 1.00 O ATOM 0 H GLY A 47 -4.793 9.179 -3.090 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -2.256 10.451 -3.624 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -2.812 9.458 -4.956 1.00 1.00 H new ATOM 701 N SER A 48 -4.566 11.875 -3.513 1.00 1.00 N ATOM 702 CA SER A 48 -5.490 12.967 -3.769 1.00 1.00 C ATOM 703 C SER A 48 -4.744 14.302 -3.735 1.00 1.00 C ATOM 704 O SER A 48 -3.767 14.453 -3.003 1.00 1.00 O ATOM 705 CB SER A 48 -6.633 12.971 -2.753 1.00 1.00 C ATOM 706 OG SER A 48 -7.015 11.652 -2.373 1.00 1.00 O ATOM 0 H SER A 48 -4.314 11.750 -2.532 1.00 1.00 H new ATOM 0 HA SER A 48 -5.922 12.825 -4.760 1.00 1.00 H new ATOM 0 HB2 SER A 48 -6.329 13.529 -1.868 1.00 1.00 H new ATOM 0 HB3 SER A 48 -7.493 13.489 -3.177 1.00 1.00 H new ATOM 0 HG SER A 48 -7.746 11.698 -1.722 1.00 1.00 H new ATOM 712 N SER A 49 -5.233 15.237 -4.536 1.00 1.00 N ATOM 713 CA SER A 49 -4.625 16.555 -4.607 1.00 1.00 C ATOM 714 C SER A 49 -4.156 16.990 -3.217 1.00 1.00 C ATOM 715 O SER A 49 -4.942 17.010 -2.271 1.00 1.00 O ATOM 716 CB SER A 49 -5.602 17.582 -5.183 1.00 1.00 C ATOM 717 OG SER A 49 -6.716 17.801 -4.322 1.00 1.00 O ATOM 0 H SER A 49 -6.044 15.108 -5.142 1.00 1.00 H new ATOM 0 HA SER A 49 -3.764 16.499 -5.273 1.00 1.00 H new ATOM 0 HB2 SER A 49 -5.081 18.525 -5.348 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.957 17.239 -6.155 1.00 1.00 H new ATOM 0 HG SER A 49 -6.450 17.634 -3.394 1.00 1.00 H new ATOM 723 N GLY A 50 -2.877 17.327 -3.138 1.00 1.00 N ATOM 724 CA GLY A 50 -2.294 17.761 -1.880 1.00 1.00 C ATOM 725 C GLY A 50 -1.484 16.635 -1.234 1.00 1.00 C ATOM 726 O GLY A 50 -0.422 16.878 -0.662 1.00 1.00 O ATOM 0 H GLY A 50 -2.228 17.308 -3.925 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -1.651 18.624 -2.052 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -3.084 18.082 -1.201 1.00 1.00 H new ATOM 730 N CYS A 51 -2.016 15.427 -1.346 1.00 1.00 N ATOM 731 CA CYS A 51 -1.356 14.262 -0.781 1.00 1.00 C ATOM 732 C CYS A 51 -0.441 13.663 -1.850 1.00 1.00 C ATOM 733 O CYS A 51 0.136 14.382 -2.662 1.00 1.00 O ATOM 734 CB CYS A 51 -2.366 13.240 -0.255 1.00 1.00 C ATOM 735 SG CYS A 51 -3.847 14.098 0.392 1.00 1.00 S ATOM 0 H CYS A 51 -2.897 15.229 -1.820 1.00 1.00 H new ATOM 0 HA CYS A 51 -0.759 14.561 0.080 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -2.652 12.555 -1.053 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -1.911 12.639 0.532 1.00 1.00 H new ATOM 740 N HIS A 52 -0.332 12.334 -1.817 1.00 1.00 N ATOM 741 CA HIS A 52 0.495 11.585 -2.756 1.00 1.00 C ATOM 742 C HIS A 52 -0.082 11.715 -4.178 1.00 1.00 C ATOM 743 O HIS A 52 -0.455 10.714 -4.788 1.00 1.00 O ATOM 744 CB HIS A 52 0.626 10.137 -2.258 1.00 1.00 C ATOM 745 CG HIS A 52 0.816 9.946 -0.771 1.00 1.00 C ATOM 746 ND1 HIS A 52 2.019 9.979 -0.189 1.00 1.00 N ATOM 747 CD2 HIS A 52 -0.090 9.716 0.237 1.00 1.00 C ATOM 748 CE1 HIS A 52 1.868 9.778 1.129 1.00 1.00 C ATOM 749 NE2 HIS A 52 0.586 9.610 1.446 1.00 1.00 N ATOM 0 H HIS A 52 -0.816 11.749 -1.136 1.00 1.00 H new ATOM 0 HA HIS A 52 1.505 11.991 -2.809 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -0.268 9.591 -2.560 1.00 1.00 H new ATOM 0 HB3 HIS A 52 1.470 9.676 -2.771 1.00 1.00 H new ATOM 0 HD1 HIS A 52 2.906 10.132 -0.668 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -1.159 9.631 0.109 1.00 1.00 H new ATOM 0 HE1 HIS A 52 2.681 9.755 1.840 1.00 1.00 H new ATOM 757 N ASP A 53 -0.136 12.949 -4.656 1.00 1.00 N ATOM 758 CA ASP A 53 -0.658 13.214 -5.986 1.00 1.00 C ATOM 759 C ASP A 53 0.434 12.942 -7.022 1.00 1.00 C ATOM 760 O ASP A 53 0.144 12.515 -8.139 1.00 1.00 O ATOM 761 CB ASP A 53 -1.090 14.675 -6.128 1.00 1.00 C ATOM 762 CG ASP A 53 -0.212 15.684 -5.386 1.00 1.00 C ATOM 763 OD1 ASP A 53 0.854 16.084 -5.876 1.00 1.00 O ATOM 764 OD2 ASP A 53 -0.668 16.065 -4.241 1.00 1.00 O ATOM 0 H ASP A 53 0.173 13.777 -4.146 1.00 1.00 H new ATOM 0 HA ASP A 53 -1.520 12.566 -6.144 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -1.100 14.934 -7.187 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -2.114 14.772 -5.767 1.00 1.00 H new ATOM 770 N ASP A 54 1.669 13.199 -6.615 1.00 1.00 N ATOM 771 CA ASP A 54 2.806 12.987 -7.494 1.00 1.00 C ATOM 772 C ASP A 54 2.954 11.491 -7.779 1.00 1.00 C ATOM 773 O ASP A 54 3.065 10.688 -6.854 1.00 1.00 O ATOM 774 CB ASP A 54 4.103 13.475 -6.844 1.00 1.00 C ATOM 775 CG ASP A 54 5.355 13.329 -7.711 1.00 1.00 C ATOM 776 OD1 ASP A 54 5.887 14.318 -8.236 1.00 1.00 O ATOM 777 OD2 ASP A 54 5.791 12.122 -7.840 1.00 1.00 O ATOM 0 H ASP A 54 1.907 13.552 -5.688 1.00 1.00 H new ATOM 0 HA ASP A 54 2.630 13.546 -8.413 1.00 1.00 H new ATOM 0 HB2 ASP A 54 3.985 14.525 -6.576 1.00 1.00 H new ATOM 0 HB3 ASP A 54 4.256 12.925 -5.916 1.00 1.00 H new ATOM 783 N LEU A 55 2.949 11.163 -9.062 1.00 1.00 N ATOM 784 CA LEU A 55 3.080 9.777 -9.480 1.00 1.00 C ATOM 785 C LEU A 55 4.315 9.633 -10.373 1.00 1.00 C ATOM 786 O LEU A 55 4.535 8.580 -10.969 1.00 1.00 O ATOM 787 CB LEU A 55 1.787 9.290 -10.137 1.00 1.00 C ATOM 788 CG LEU A 55 0.499 9.966 -9.663 1.00 1.00 C ATOM 789 CD1 LEU A 55 -0.661 9.663 -10.613 1.00 1.00 C ATOM 790 CD2 LEU A 55 0.174 9.576 -8.220 1.00 1.00 C ATOM 0 H LEU A 55 2.856 11.832 -9.826 1.00 1.00 H new ATOM 0 HA LEU A 55 3.233 9.132 -8.615 1.00 1.00 H new ATOM 0 HB2 LEU A 55 1.874 9.433 -11.214 1.00 1.00 H new ATOM 0 HB3 LEU A 55 1.696 8.218 -9.964 1.00 1.00 H new ATOM 0 HG LEU A 55 0.654 11.045 -9.678 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -1.564 10.155 -10.253 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -0.420 10.031 -11.610 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -0.826 8.586 -10.654 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -0.746 10.070 -7.908 1.00 1.00 H new ATOM 0 HD22 LEU A 55 0.046 8.496 -8.155 1.00 1.00 H new ATOM 0 HD23 LEU A 55 0.991 9.884 -7.567 1.00 1.00 H new ATOM 802 N THR A 56 5.089 10.707 -10.435 1.00 1.00 N ATOM 803 CA THR A 56 6.295 10.714 -11.245 1.00 1.00 C ATOM 804 C THR A 56 7.533 10.572 -10.357 1.00 1.00 C ATOM 805 O THR A 56 8.369 9.699 -10.585 1.00 1.00 O ATOM 806 CB THR A 56 6.293 11.992 -12.086 1.00 1.00 C ATOM 807 OG1 THR A 56 5.518 12.910 -11.320 1.00 1.00 O ATOM 808 CG2 THR A 56 5.506 11.835 -13.388 1.00 1.00 C ATOM 0 H THR A 56 4.904 11.578 -9.937 1.00 1.00 H new ATOM 0 HA THR A 56 6.321 9.862 -11.924 1.00 1.00 H new ATOM 0 HB THR A 56 7.320 12.277 -12.315 1.00 1.00 H new ATOM 0 HG1 THR A 56 5.466 13.768 -11.792 1.00 1.00 H new ATOM 0 HG21 THR A 56 5.536 12.770 -13.947 1.00 1.00 H new ATOM 0 HG22 THR A 56 5.949 11.040 -13.987 1.00 1.00 H new ATOM 0 HG23 THR A 56 4.471 11.583 -13.159 1.00 1.00 H new ATOM 816 N ALA A 57 7.613 11.445 -9.363 1.00 1.00 N ATOM 817 CA ALA A 57 8.735 11.428 -8.440 1.00 1.00 C ATOM 818 C ALA A 57 8.736 10.107 -7.670 1.00 1.00 C ATOM 819 O ALA A 57 7.690 9.481 -7.501 1.00 1.00 O ATOM 820 CB ALA A 57 8.652 12.643 -7.514 1.00 1.00 C ATOM 0 H ALA A 57 6.919 12.169 -9.177 1.00 1.00 H new ATOM 0 HA ALA A 57 9.679 11.494 -8.981 1.00 1.00 H new ATOM 0 HB1 ALA A 57 9.494 12.631 -6.821 1.00 1.00 H new ATOM 0 HB2 ALA A 57 8.684 13.556 -8.108 1.00 1.00 H new ATOM 0 HB3 ALA A 57 7.719 12.609 -6.952 1.00 1.00 H new ATOM 826 N LYS A 58 9.922 9.720 -7.223 1.00 1.00 N ATOM 827 CA LYS A 58 10.073 8.484 -6.474 1.00 1.00 C ATOM 828 C LYS A 58 10.218 8.809 -4.986 1.00 1.00 C ATOM 829 O LYS A 58 9.736 8.063 -4.134 1.00 1.00 O ATOM 830 CB LYS A 58 11.228 7.654 -7.037 1.00 1.00 C ATOM 831 CG LYS A 58 12.552 8.414 -6.931 1.00 1.00 C ATOM 832 CD LYS A 58 13.270 8.455 -8.281 1.00 1.00 C ATOM 833 CE LYS A 58 14.531 9.320 -8.206 1.00 1.00 C ATOM 834 NZ LYS A 58 14.659 10.156 -9.420 1.00 1.00 N ATOM 0 H LYS A 58 10.787 10.241 -7.365 1.00 1.00 H new ATOM 0 HA LYS A 58 9.183 7.863 -6.580 1.00 1.00 H new ATOM 0 HB2 LYS A 58 11.301 6.711 -6.495 1.00 1.00 H new ATOM 0 HB3 LYS A 58 11.029 7.407 -8.080 1.00 1.00 H new ATOM 0 HG2 LYS A 58 12.365 9.430 -6.583 1.00 1.00 H new ATOM 0 HG3 LYS A 58 13.192 7.936 -6.189 1.00 1.00 H new ATOM 0 HD2 LYS A 58 13.537 7.443 -8.586 1.00 1.00 H new ATOM 0 HD3 LYS A 58 12.598 8.851 -9.042 1.00 1.00 H new ATOM 0 HE2 LYS A 58 14.491 9.956 -7.322 1.00 1.00 H new ATOM 0 HE3 LYS A 58 15.410 8.684 -8.101 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 15.519 10.736 -9.353 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 14.719 9.544 -10.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 13.829 10.777 -9.503 1.00 1.00 H new ATOM 847 N LYS A 59 10.883 9.923 -4.718 1.00 1.00 N ATOM 848 CA LYS A 59 11.097 10.355 -3.347 1.00 1.00 C ATOM 849 C LYS A 59 10.157 11.521 -3.032 1.00 1.00 C ATOM 850 O LYS A 59 9.806 12.297 -3.919 1.00 1.00 O ATOM 851 CB LYS A 59 12.574 10.676 -3.111 1.00 1.00 C ATOM 852 CG LYS A 59 13.409 9.395 -3.048 1.00 1.00 C ATOM 853 CD LYS A 59 14.899 9.704 -3.213 1.00 1.00 C ATOM 854 CE LYS A 59 15.300 9.695 -4.690 1.00 1.00 C ATOM 855 NZ LYS A 59 15.488 8.306 -5.167 1.00 1.00 N ATOM 0 H LYS A 59 11.281 10.540 -5.427 1.00 1.00 H new ATOM 0 HA LYS A 59 10.854 9.551 -2.652 1.00 1.00 H new ATOM 0 HB2 LYS A 59 12.943 11.316 -3.912 1.00 1.00 H new ATOM 0 HB3 LYS A 59 12.685 11.233 -2.181 1.00 1.00 H new ATOM 0 HG2 LYS A 59 13.241 8.894 -2.095 1.00 1.00 H new ATOM 0 HG3 LYS A 59 13.087 8.708 -3.831 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.123 10.678 -2.778 1.00 1.00 H new ATOM 0 HD3 LYS A 59 15.489 8.968 -2.668 1.00 1.00 H new ATOM 0 HE2 LYS A 59 14.532 10.189 -5.285 1.00 1.00 H new ATOM 0 HE3 LYS A 59 16.222 10.261 -4.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 15.575 8.304 -6.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.352 7.908 -4.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 14.669 7.729 -4.887 1.00 1.00 H new ATOM 868 N GLY A 60 9.776 11.606 -1.766 1.00 1.00 N ATOM 869 CA GLY A 60 8.884 12.664 -1.323 1.00 1.00 C ATOM 870 C GLY A 60 7.627 12.084 -0.672 1.00 1.00 C ATOM 871 O GLY A 60 7.161 11.012 -1.058 1.00 1.00 O ATOM 0 H GLY A 60 10.069 10.960 -1.033 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.402 13.308 -0.612 1.00 1.00 H new ATOM 0 HA3 GLY A 60 8.604 13.288 -2.172 1.00 1.00 H new ATOM 875 N GLU A 61 7.112 12.817 0.304 1.00 1.00 N ATOM 876 CA GLU A 61 5.918 12.389 1.013 1.00 1.00 C ATOM 877 C GLU A 61 4.673 12.652 0.162 1.00 1.00 C ATOM 878 O GLU A 61 3.553 12.386 0.596 1.00 1.00 O ATOM 879 CB GLU A 61 5.809 13.081 2.373 1.00 1.00 C ATOM 880 CG GLU A 61 5.588 14.585 2.206 1.00 1.00 C ATOM 881 CD GLU A 61 5.946 15.337 3.490 1.00 1.00 C ATOM 882 OE1 GLU A 61 7.048 15.155 4.029 1.00 1.00 O ATOM 883 OE2 GLU A 61 5.033 16.137 3.926 1.00 1.00 O ATOM 0 H GLU A 61 7.500 13.705 0.621 1.00 1.00 H new ATOM 0 HA GLU A 61 5.991 11.317 1.194 1.00 1.00 H new ATOM 0 HB2 GLU A 61 4.984 12.649 2.940 1.00 1.00 H new ATOM 0 HB3 GLU A 61 6.718 12.905 2.949 1.00 1.00 H new ATOM 0 HG2 GLU A 61 6.196 14.956 1.381 1.00 1.00 H new ATOM 0 HG3 GLU A 61 4.547 14.777 1.946 1.00 1.00 H new ATOM 891 N LYS A 62 4.912 13.171 -1.033 1.00 1.00 N ATOM 892 CA LYS A 62 3.824 13.474 -1.948 1.00 1.00 C ATOM 893 C LYS A 62 3.870 12.500 -3.128 1.00 1.00 C ATOM 894 O LYS A 62 3.122 12.652 -4.092 1.00 1.00 O ATOM 895 CB LYS A 62 3.867 14.945 -2.364 1.00 1.00 C ATOM 896 CG LYS A 62 2.870 15.774 -1.550 1.00 1.00 C ATOM 897 CD LYS A 62 3.472 17.125 -1.158 1.00 1.00 C ATOM 898 CE LYS A 62 3.519 17.282 0.364 1.00 1.00 C ATOM 899 NZ LYS A 62 3.364 18.705 0.742 1.00 1.00 N ATOM 0 H LYS A 62 5.843 13.389 -1.389 1.00 1.00 H new ATOM 0 HA LYS A 62 2.862 13.334 -1.455 1.00 1.00 H new ATOM 0 HB2 LYS A 62 4.874 15.338 -2.222 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.638 15.033 -3.426 1.00 1.00 H new ATOM 0 HG2 LYS A 62 1.962 15.932 -2.132 1.00 1.00 H new ATOM 0 HG3 LYS A 62 2.583 15.226 -0.653 1.00 1.00 H new ATOM 0 HD2 LYS A 62 4.478 17.212 -1.568 1.00 1.00 H new ATOM 0 HD3 LYS A 62 2.881 17.931 -1.593 1.00 1.00 H new ATOM 0 HE2 LYS A 62 2.727 16.689 0.822 1.00 1.00 H new ATOM 0 HE3 LYS A 62 4.465 16.899 0.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 3.398 18.795 1.778 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 4.135 19.262 0.321 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 2.450 19.059 0.394 1.00 1.00 H new ATOM 912 N SER A 63 4.756 11.521 -3.012 1.00 1.00 N ATOM 913 CA SER A 63 4.909 10.523 -4.056 1.00 1.00 C ATOM 914 C SER A 63 4.156 9.247 -3.676 1.00 1.00 C ATOM 915 O SER A 63 4.264 8.772 -2.547 1.00 1.00 O ATOM 916 CB SER A 63 6.386 10.212 -4.309 1.00 1.00 C ATOM 917 OG SER A 63 6.903 10.940 -5.420 1.00 1.00 O ATOM 0 H SER A 63 5.375 11.398 -2.211 1.00 1.00 H new ATOM 0 HA SER A 63 4.487 10.925 -4.977 1.00 1.00 H new ATOM 0 HB2 SER A 63 6.965 10.452 -3.417 1.00 1.00 H new ATOM 0 HB3 SER A 63 6.506 9.144 -4.488 1.00 1.00 H new ATOM 0 HG SER A 63 6.806 10.405 -6.235 1.00 1.00 H new ATOM 923 N LEU A 64 3.409 8.729 -4.640 1.00 1.00 N ATOM 924 CA LEU A 64 2.638 7.518 -4.420 1.00 1.00 C ATOM 925 C LEU A 64 3.580 6.312 -4.418 1.00 1.00 C ATOM 926 O LEU A 64 3.231 5.212 -3.997 1.00 1.00 O ATOM 927 CB LEU A 64 1.505 7.411 -5.443 1.00 1.00 C ATOM 928 CG LEU A 64 0.664 6.134 -5.381 1.00 1.00 C ATOM 929 CD1 LEU A 64 0.146 5.887 -3.962 1.00 1.00 C ATOM 930 CD2 LEU A 64 -0.471 6.175 -6.406 1.00 1.00 C ATOM 0 H LEU A 64 3.322 9.126 -5.575 1.00 1.00 H new ATOM 0 HA LEU A 64 2.154 7.547 -3.444 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.842 8.266 -5.312 1.00 1.00 H new ATOM 0 HB3 LEU A 64 1.935 7.491 -6.441 1.00 1.00 H new ATOM 0 HG LEU A 64 1.303 5.291 -5.642 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -0.449 4.974 -3.946 1.00 1.00 H new ATOM 0 HD12 LEU A 64 0.990 5.783 -3.280 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -0.473 6.728 -3.649 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -1.053 5.256 -6.341 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.117 7.029 -6.200 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -0.053 6.270 -7.408 1.00 1.00 H new ATOM 942 N TYR A 65 4.800 6.549 -4.905 1.00 1.00 N ATOM 943 CA TYR A 65 5.809 5.510 -4.973 1.00 1.00 C ATOM 944 C TYR A 65 6.552 5.424 -3.648 1.00 1.00 C ATOM 945 O TYR A 65 6.836 4.332 -3.162 1.00 1.00 O ATOM 946 CB TYR A 65 6.773 5.815 -6.116 1.00 1.00 C ATOM 947 CG TYR A 65 7.605 4.627 -6.536 1.00 1.00 C ATOM 948 CD1 TYR A 65 8.711 4.241 -5.768 1.00 1.00 C ATOM 949 CD2 TYR A 65 7.271 3.912 -7.692 1.00 1.00 C ATOM 950 CE1 TYR A 65 9.482 3.139 -6.157 1.00 1.00 C ATOM 951 CE2 TYR A 65 8.042 2.810 -8.080 1.00 1.00 C ATOM 952 CZ TYR A 65 9.148 2.423 -7.313 1.00 1.00 C ATOM 953 OH TYR A 65 9.899 1.349 -7.692 1.00 1.00 O ATOM 0 H TYR A 65 5.106 7.456 -5.257 1.00 1.00 H new ATOM 0 HA TYR A 65 5.334 4.547 -5.162 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.204 6.172 -6.975 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.437 6.625 -5.814 1.00 1.00 H new ATOM 0 HD1 TYR A 65 8.969 4.793 -4.876 1.00 1.00 H new ATOM 0 HD2 TYR A 65 6.419 4.210 -8.284 1.00 1.00 H new ATOM 0 HE1 TYR A 65 10.335 2.841 -5.565 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.784 2.258 -8.972 1.00 1.00 H new ATOM 0 HH TYR A 65 9.530 0.966 -8.515 1.00 1.00 H new ATOM 963 N TYR A 66 6.867 6.582 -3.063 1.00 1.00 N ATOM 964 CA TYR A 66 7.575 6.631 -1.800 1.00 1.00 C ATOM 965 C TYR A 66 6.705 6.046 -0.697 1.00 1.00 C ATOM 966 O TYR A 66 7.181 5.916 0.430 1.00 1.00 O ATOM 967 CB TYR A 66 7.950 8.076 -1.485 1.00 1.00 C ATOM 968 CG TYR A 66 8.901 8.212 -0.319 1.00 1.00 C ATOM 969 CD1 TYR A 66 10.046 7.409 -0.253 1.00 1.00 C ATOM 970 CD2 TYR A 66 8.638 9.140 0.695 1.00 1.00 C ATOM 971 CE1 TYR A 66 10.927 7.534 0.827 1.00 1.00 C ATOM 972 CE2 TYR A 66 9.520 9.266 1.775 1.00 1.00 C ATOM 973 CZ TYR A 66 10.665 8.463 1.841 1.00 1.00 C ATOM 974 OH TYR A 66 11.524 8.586 2.893 1.00 1.00 O ATOM 0 H TYR A 66 6.638 7.497 -3.452 1.00 1.00 H new ATOM 0 HA TYR A 66 8.488 6.039 -1.867 1.00 1.00 H new ATOM 0 HB2 TYR A 66 8.404 8.526 -2.368 1.00 1.00 H new ATOM 0 HB3 TYR A 66 7.042 8.640 -1.271 1.00 1.00 H new ATOM 0 HD1 TYR A 66 10.249 6.693 -1.036 1.00 1.00 H new ATOM 0 HD2 TYR A 66 7.754 9.759 0.644 1.00 1.00 H new ATOM 0 HE1 TYR A 66 11.809 6.914 0.878 1.00 1.00 H new ATOM 0 HE2 TYR A 66 9.317 9.983 2.557 1.00 1.00 H new ATOM 0 HH TYR A 66 11.194 9.276 3.506 1.00 1.00 H new ATOM 984 N VAL A 67 5.468 5.710 -1.033 1.00 1.00 N ATOM 985 CA VAL A 67 4.555 5.143 -0.054 1.00 1.00 C ATOM 986 C VAL A 67 4.112 3.755 -0.522 1.00 1.00 C ATOM 987 O VAL A 67 2.949 3.386 -0.366 1.00 1.00 O ATOM 988 CB VAL A 67 3.382 6.097 0.182 1.00 1.00 C ATOM 989 CG1 VAL A 67 3.825 7.321 0.986 1.00 1.00 C ATOM 990 CG2 VAL A 67 2.740 6.514 -1.143 1.00 1.00 C ATOM 0 H VAL A 67 5.077 5.819 -1.969 1.00 1.00 H new ATOM 0 HA VAL A 67 5.054 5.019 0.907 1.00 1.00 H new ATOM 0 HB VAL A 67 2.630 5.567 0.766 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.973 7.983 1.140 1.00 1.00 H new ATOM 0 HG12 VAL A 67 4.215 7.000 1.952 1.00 1.00 H new ATOM 0 HG13 VAL A 67 4.604 7.853 0.439 1.00 1.00 H new ATOM 0 HG21 VAL A 67 1.909 7.192 -0.947 1.00 1.00 H new ATOM 0 HG22 VAL A 67 3.481 7.018 -1.764 1.00 1.00 H new ATOM 0 HG23 VAL A 67 2.372 5.630 -1.663 1.00 1.00 H new ATOM 1000 N VAL A 68 5.062 3.024 -1.085 1.00 1.00 N ATOM 1001 CA VAL A 68 4.784 1.685 -1.576 1.00 1.00 C ATOM 1002 C VAL A 68 6.073 0.861 -1.554 1.00 1.00 C ATOM 1003 O VAL A 68 6.102 -0.250 -1.029 1.00 1.00 O ATOM 1004 CB VAL A 68 4.144 1.758 -2.964 1.00 1.00 C ATOM 1005 CG1 VAL A 68 4.318 0.438 -3.718 1.00 1.00 C ATOM 1006 CG2 VAL A 68 2.668 2.145 -2.867 1.00 1.00 C ATOM 0 H VAL A 68 6.026 3.333 -1.212 1.00 1.00 H new ATOM 0 HA VAL A 68 4.066 1.182 -0.928 1.00 1.00 H new ATOM 0 HB VAL A 68 4.657 2.536 -3.529 1.00 1.00 H new ATOM 0 HG11 VAL A 68 3.854 0.517 -4.701 1.00 1.00 H new ATOM 0 HG12 VAL A 68 5.380 0.223 -3.834 1.00 1.00 H new ATOM 0 HG13 VAL A 68 3.844 -0.367 -3.157 1.00 1.00 H new ATOM 0 HG21 VAL A 68 2.237 2.190 -3.867 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.135 1.401 -2.275 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.578 3.121 -2.389 1.00 1.00 H new ATOM 1016 N HIS A 69 7.122 1.441 -2.137 1.00 1.00 N ATOM 1017 CA HIS A 69 8.435 0.808 -2.215 1.00 1.00 C ATOM 1018 C HIS A 69 9.409 1.512 -1.253 1.00 1.00 C ATOM 1019 O HIS A 69 10.575 1.713 -1.591 1.00 1.00 O ATOM 1020 CB HIS A 69 8.894 0.793 -3.680 1.00 1.00 C ATOM 1021 CG HIS A 69 7.838 0.495 -4.720 1.00 1.00 C ATOM 1022 ND1 HIS A 69 6.895 1.378 -5.062 1.00 1.00 N ATOM 1023 CD2 HIS A 69 7.609 -0.624 -5.484 1.00 1.00 C ATOM 1024 CE1 HIS A 69 6.109 0.831 -6.002 1.00 1.00 C ATOM 1025 NE2 HIS A 69 6.505 -0.406 -6.300 1.00 1.00 N ATOM 0 H HIS A 69 7.083 2.364 -2.569 1.00 1.00 H new ATOM 0 HA HIS A 69 8.397 -0.232 -1.890 1.00 1.00 H new ATOM 0 HB2 HIS A 69 9.332 1.764 -3.909 1.00 1.00 H new ATOM 0 HB3 HIS A 69 9.688 0.053 -3.780 1.00 1.00 H new ATOM 0 HD1 HIS A 69 6.790 2.315 -4.672 1.00 1.00 H new ATOM 0 HD2 HIS A 69 8.195 -1.531 -5.455 1.00 1.00 H new ATOM 0 HE1 HIS A 69 5.266 1.328 -6.458 1.00 1.00 H new ATOM 1033 N ALA A 70 8.896 1.863 -0.083 1.00 1.00 N ATOM 1034 CA ALA A 70 9.707 2.534 0.919 1.00 1.00 C ATOM 1035 C ALA A 70 9.998 1.565 2.066 1.00 1.00 C ATOM 1036 O ALA A 70 9.123 1.284 2.883 1.00 1.00 O ATOM 1037 CB ALA A 70 8.990 3.800 1.393 1.00 1.00 C ATOM 0 H ALA A 70 7.929 1.695 0.194 1.00 1.00 H new ATOM 0 HA ALA A 70 10.664 2.840 0.496 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.599 4.303 2.145 1.00 1.00 H new ATOM 0 HB2 ALA A 70 8.833 4.468 0.546 1.00 1.00 H new ATOM 0 HB3 ALA A 70 8.027 3.532 1.826 1.00 1.00 H new ATOM 1043 N ARG A 71 11.231 1.081 2.092 1.00 1.00 N ATOM 1044 CA ARG A 71 11.649 0.149 3.125 1.00 1.00 C ATOM 1045 C ARG A 71 12.400 0.888 4.234 1.00 1.00 C ATOM 1046 O ARG A 71 12.699 0.310 5.278 1.00 1.00 O ATOM 1047 CB ARG A 71 12.550 -0.945 2.550 1.00 1.00 C ATOM 1048 CG ARG A 71 11.738 -1.948 1.728 1.00 1.00 C ATOM 1049 CD ARG A 71 12.277 -3.369 1.908 1.00 1.00 C ATOM 1050 NE ARG A 71 12.468 -4.009 0.588 1.00 1.00 N ATOM 1051 CZ ARG A 71 13.349 -5.004 0.350 1.00 1.00 C ATOM 1052 NH1 ARG A 71 14.128 -5.482 1.344 1.00 1.00 N ATOM 1053 NH2 ARG A 71 13.437 -5.503 -0.869 1.00 1.00 N ATOM 0 H ARG A 71 11.955 1.317 1.413 1.00 1.00 H new ATOM 0 HA ARG A 71 10.752 -0.315 3.535 1.00 1.00 H new ATOM 0 HB2 ARG A 71 13.320 -0.495 1.924 1.00 1.00 H new ATOM 0 HB3 ARG A 71 13.061 -1.463 3.361 1.00 1.00 H new ATOM 0 HG2 ARG A 71 10.692 -1.911 2.032 1.00 1.00 H new ATOM 0 HG3 ARG A 71 11.773 -1.673 0.674 1.00 1.00 H new ATOM 0 HD2 ARG A 71 13.223 -3.342 2.449 1.00 1.00 H new ATOM 0 HD3 ARG A 71 11.583 -3.957 2.509 1.00 1.00 H new ATOM 0 HE ARG A 71 11.899 -3.678 -0.191 1.00 1.00 H new ATOM 0 HH11 ARG A 71 14.053 -5.091 2.283 1.00 1.00 H new ATOM 0 HH12 ARG A 71 14.791 -6.234 1.156 1.00 1.00 H new ATOM 0 HH21 ARG A 71 12.845 -5.137 -1.614 1.00 1.00 H new ATOM 0 HH22 ARG A 71 14.097 -6.255 -1.066 1.00 1.00 H new ATOM 1063 N GLY A 72 12.684 2.155 3.970 1.00 1.00 N ATOM 1064 CA GLY A 72 13.395 2.979 4.932 1.00 1.00 C ATOM 1065 C GLY A 72 12.465 3.432 6.060 1.00 1.00 C ATOM 1066 O GLY A 72 11.436 2.806 6.309 1.00 1.00 O ATOM 0 H GLY A 72 12.434 2.631 3.103 1.00 1.00 H new ATOM 0 HA2 GLY A 72 14.231 2.418 5.349 1.00 1.00 H new ATOM 0 HA3 GLY A 72 13.815 3.851 4.430 1.00 1.00 H new ATOM 1070 N GLU A 73 12.861 4.515 6.711 1.00 1.00 N ATOM 1071 CA GLU A 73 12.076 5.059 7.806 1.00 1.00 C ATOM 1072 C GLU A 73 11.089 6.105 7.283 1.00 1.00 C ATOM 1073 O GLU A 73 11.435 6.917 6.427 1.00 1.00 O ATOM 1074 CB GLU A 73 12.980 5.652 8.888 1.00 1.00 C ATOM 1075 CG GLU A 73 12.194 5.922 10.173 1.00 1.00 C ATOM 1076 CD GLU A 73 13.133 6.293 11.323 1.00 1.00 C ATOM 1077 OE1 GLU A 73 14.237 5.737 11.426 1.00 1.00 O ATOM 1078 OE2 GLU A 73 12.681 7.195 12.126 1.00 1.00 O ATOM 0 H GLU A 73 13.716 5.031 6.501 1.00 1.00 H new ATOM 0 HA GLU A 73 11.509 4.246 8.259 1.00 1.00 H new ATOM 0 HB2 GLU A 73 13.801 4.966 9.097 1.00 1.00 H new ATOM 0 HB3 GLU A 73 13.424 6.580 8.527 1.00 1.00 H new ATOM 0 HG2 GLU A 73 11.482 6.730 10.005 1.00 1.00 H new ATOM 0 HG3 GLU A 73 11.615 5.038 10.442 1.00 1.00 H new ATOM 1086 N LEU A 74 9.878 6.050 7.820 1.00 1.00 N ATOM 1087 CA LEU A 74 8.839 6.982 7.418 1.00 1.00 C ATOM 1088 C LEU A 74 8.011 7.375 8.643 1.00 1.00 C ATOM 1089 O LEU A 74 8.378 7.056 9.773 1.00 1.00 O ATOM 1090 CB LEU A 74 8.006 6.396 6.276 1.00 1.00 C ATOM 1091 CG LEU A 74 8.794 5.743 5.138 1.00 1.00 C ATOM 1092 CD1 LEU A 74 7.991 4.611 4.495 1.00 1.00 C ATOM 1093 CD2 LEU A 74 9.241 6.785 4.111 1.00 1.00 C ATOM 0 H LEU A 74 9.594 5.375 8.530 1.00 1.00 H new ATOM 0 HA LEU A 74 9.280 7.897 7.023 1.00 1.00 H new ATOM 0 HB2 LEU A 74 7.325 5.654 6.693 1.00 1.00 H new ATOM 0 HB3 LEU A 74 7.391 7.192 5.856 1.00 1.00 H new ATOM 0 HG LEU A 74 9.696 5.299 5.558 1.00 1.00 H new ATOM 0 HD11 LEU A 74 8.573 4.164 3.689 1.00 1.00 H new ATOM 0 HD12 LEU A 74 7.767 3.852 5.245 1.00 1.00 H new ATOM 0 HD13 LEU A 74 7.060 5.009 4.092 1.00 1.00 H new ATOM 0 HD21 LEU A 74 9.799 6.294 3.314 1.00 1.00 H new ATOM 0 HD22 LEU A 74 8.366 7.280 3.690 1.00 1.00 H new ATOM 0 HD23 LEU A 74 9.878 7.525 4.597 1.00 1.00 H new ATOM 1105 N LYS A 75 6.909 8.061 8.378 1.00 1.00 N ATOM 1106 CA LYS A 75 6.026 8.501 9.445 1.00 1.00 C ATOM 1107 C LYS A 75 4.982 7.416 9.716 1.00 1.00 C ATOM 1108 O LYS A 75 4.457 7.318 10.824 1.00 1.00 O ATOM 1109 CB LYS A 75 5.422 9.867 9.112 1.00 1.00 C ATOM 1110 CG LYS A 75 6.514 10.876 8.751 1.00 1.00 C ATOM 1111 CD LYS A 75 7.256 11.352 10.002 1.00 1.00 C ATOM 1112 CE LYS A 75 8.644 11.888 9.645 1.00 1.00 C ATOM 1113 NZ LYS A 75 9.330 12.394 10.855 1.00 1.00 N ATOM 0 H LYS A 75 6.607 8.323 7.440 1.00 1.00 H new ATOM 0 HA LYS A 75 6.586 8.643 10.369 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.725 9.767 8.280 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.851 10.234 9.965 1.00 1.00 H new ATOM 0 HG2 LYS A 75 7.220 10.420 8.056 1.00 1.00 H new ATOM 0 HG3 LYS A 75 6.070 11.730 8.240 1.00 1.00 H new ATOM 0 HD2 LYS A 75 6.678 12.132 10.498 1.00 1.00 H new ATOM 0 HD3 LYS A 75 7.351 10.528 10.709 1.00 1.00 H new ATOM 0 HE2 LYS A 75 9.239 11.098 9.186 1.00 1.00 H new ATOM 0 HE3 LYS A 75 8.554 12.687 8.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 10.271 12.754 10.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 8.769 13.162 11.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 9.433 11.622 11.544 1.00 1.00 H new ATOM 1126 N HIS A 76 4.711 6.629 8.686 1.00 1.00 N ATOM 1127 CA HIS A 76 3.739 5.555 8.799 1.00 1.00 C ATOM 1128 C HIS A 76 4.393 4.227 8.413 1.00 1.00 C ATOM 1129 O HIS A 76 5.608 4.159 8.235 1.00 1.00 O ATOM 1130 CB HIS A 76 2.490 5.864 7.970 1.00 1.00 C ATOM 1131 CG HIS A 76 1.845 7.188 8.302 1.00 1.00 C ATOM 1132 ND1 HIS A 76 1.497 8.235 7.500 1.00 1.00 N flip ATOM 1133 CD2 HIS A 76 1.489 7.547 9.590 1.00 1.00 C flip ATOM 1134 CE1 HIS A 76 0.956 9.182 8.257 1.00 1.00 C flip ATOM 1135 NE2 HIS A 76 0.951 8.757 9.553 1.00 1.00 N flip ATOM 0 H HIS A 76 5.148 6.714 7.768 1.00 1.00 H new ATOM 0 HA HIS A 76 3.406 5.468 9.833 1.00 1.00 H new ATOM 0 HB2 HIS A 76 2.757 5.856 6.913 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.760 5.068 8.120 1.00 1.00 H new ATOM 0 HD1 HIS A 76 1.630 8.282 6.490 1.00 1.00 H new ATOM 0 HD2 HIS A 76 1.626 6.943 10.475 1.00 1.00 H new ATOM 0 HE1 HIS A 76 0.582 10.132 7.905 1.00 1.00 H new ATOM 1143 N THR A 77 3.559 3.205 8.295 1.00 1.00 N ATOM 1144 CA THR A 77 4.041 1.883 7.934 1.00 1.00 C ATOM 1145 C THR A 77 3.778 1.606 6.452 1.00 1.00 C ATOM 1146 O THR A 77 2.639 1.684 5.995 1.00 1.00 O ATOM 1147 CB THR A 77 3.380 0.867 8.868 1.00 1.00 C ATOM 1148 OG1 THR A 77 4.188 0.899 10.042 1.00 1.00 O ATOM 1149 CG2 THR A 77 3.517 -0.570 8.361 1.00 1.00 C ATOM 0 H THR A 77 2.552 3.266 8.443 1.00 1.00 H new ATOM 0 HA THR A 77 5.121 1.808 8.060 1.00 1.00 H new ATOM 0 HB THR A 77 2.324 1.112 8.983 1.00 1.00 H new ATOM 0 HG1 THR A 77 3.830 0.270 10.703 1.00 1.00 H new ATOM 0 HG21 THR A 77 3.031 -1.250 9.060 1.00 1.00 H new ATOM 0 HG22 THR A 77 3.045 -0.657 7.382 1.00 1.00 H new ATOM 0 HG23 THR A 77 4.573 -0.828 8.279 1.00 1.00 H new ATOM 1157 N SER A 78 4.851 1.289 5.743 1.00 1.00 N ATOM 1158 CA SER A 78 4.751 1.000 4.323 1.00 1.00 C ATOM 1159 C SER A 78 4.347 -0.461 4.113 1.00 1.00 C ATOM 1160 O SER A 78 4.427 -1.270 5.036 1.00 1.00 O ATOM 1161 CB SER A 78 6.071 1.293 3.607 1.00 1.00 C ATOM 1162 OG SER A 78 6.896 2.185 4.352 1.00 1.00 O ATOM 0 H SER A 78 5.794 1.226 6.126 1.00 1.00 H new ATOM 0 HA SER A 78 3.985 1.647 3.896 1.00 1.00 H new ATOM 0 HB2 SER A 78 6.607 0.359 3.438 1.00 1.00 H new ATOM 0 HB3 SER A 78 5.864 1.723 2.627 1.00 1.00 H new ATOM 0 HG SER A 78 7.833 2.056 4.095 1.00 1.00 H new ATOM 1168 N CYS A 79 3.922 -0.755 2.893 1.00 1.00 N ATOM 1169 CA CYS A 79 3.505 -2.104 2.550 1.00 1.00 C ATOM 1170 C CYS A 79 4.741 -3.005 2.560 1.00 1.00 C ATOM 1171 O CYS A 79 4.843 -3.917 3.380 1.00 1.00 O ATOM 1172 CB CYS A 79 2.779 -2.147 1.205 1.00 1.00 C ATOM 1173 SG CYS A 79 1.771 -0.666 0.829 1.00 1.00 S ATOM 0 H CYS A 79 3.857 -0.082 2.130 1.00 1.00 H new ATOM 0 HA CYS A 79 2.787 -2.464 3.287 1.00 1.00 H new ATOM 0 HB2 CYS A 79 3.517 -2.277 0.414 1.00 1.00 H new ATOM 0 HB3 CYS A 79 2.132 -3.024 1.185 1.00 1.00 H new ATOM 1178 N LEU A 80 5.650 -2.720 1.640 1.00 1.00 N ATOM 1179 CA LEU A 80 6.876 -3.493 1.532 1.00 1.00 C ATOM 1180 C LEU A 80 7.516 -3.621 2.915 1.00 1.00 C ATOM 1181 O LEU A 80 8.200 -4.603 3.199 1.00 1.00 O ATOM 1182 CB LEU A 80 7.803 -2.885 0.478 1.00 1.00 C ATOM 1183 CG LEU A 80 7.679 -3.457 -0.935 1.00 1.00 C ATOM 1184 CD1 LEU A 80 6.484 -2.846 -1.671 1.00 1.00 C ATOM 1185 CD2 LEU A 80 8.983 -3.280 -1.715 1.00 1.00 C ATOM 0 H LEU A 80 5.562 -1.964 0.961 1.00 1.00 H new ATOM 0 HA LEU A 80 6.660 -4.504 1.186 1.00 1.00 H new ATOM 0 HB2 LEU A 80 7.614 -1.812 0.432 1.00 1.00 H new ATOM 0 HB3 LEU A 80 8.833 -3.013 0.811 1.00 1.00 H new ATOM 0 HG LEU A 80 7.495 -4.528 -0.854 1.00 1.00 H new ATOM 0 HD11 LEU A 80 6.419 -3.270 -2.673 1.00 1.00 H new ATOM 0 HD12 LEU A 80 5.568 -3.067 -1.123 1.00 1.00 H new ATOM 0 HD13 LEU A 80 6.614 -1.766 -1.741 1.00 1.00 H new ATOM 0 HD21 LEU A 80 8.867 -3.695 -2.716 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.222 -2.219 -1.788 1.00 1.00 H new ATOM 0 HD23 LEU A 80 9.790 -3.799 -1.198 1.00 1.00 H new ATOM 1197 N ALA A 81 7.273 -2.613 3.740 1.00 1.00 N ATOM 1198 CA ALA A 81 7.818 -2.599 5.087 1.00 1.00 C ATOM 1199 C ALA A 81 7.256 -3.787 5.871 1.00 1.00 C ATOM 1200 O ALA A 81 7.994 -4.706 6.225 1.00 1.00 O ATOM 1201 CB ALA A 81 7.501 -1.259 5.753 1.00 1.00 C ATOM 0 H ALA A 81 6.706 -1.800 3.501 1.00 1.00 H new ATOM 0 HA ALA A 81 8.903 -2.702 5.063 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.910 -1.249 6.763 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.946 -0.450 5.173 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.421 -1.121 5.798 1.00 1.00 H new ATOM 1207 N CYS A 82 5.957 -3.730 6.121 1.00 1.00 N ATOM 1208 CA CYS A 82 5.288 -4.789 6.857 1.00 1.00 C ATOM 1209 C CYS A 82 5.620 -6.123 6.186 1.00 1.00 C ATOM 1210 O CYS A 82 6.098 -7.053 6.833 1.00 1.00 O ATOM 1211 CB CYS A 82 3.779 -4.554 6.942 1.00 1.00 C ATOM 1212 SG CYS A 82 2.983 -5.918 7.865 1.00 1.00 S ATOM 0 H CYS A 82 5.349 -2.966 5.827 1.00 1.00 H new ATOM 0 HA CYS A 82 5.646 -4.801 7.887 1.00 1.00 H new ATOM 0 HB2 CYS A 82 3.578 -3.604 7.437 1.00 1.00 H new ATOM 0 HB3 CYS A 82 3.356 -4.487 5.940 1.00 1.00 H new ATOM 1217 N HIS A 83 5.353 -6.180 4.881 1.00 1.00 N ATOM 1218 CA HIS A 83 5.603 -7.368 4.072 1.00 1.00 C ATOM 1219 C HIS A 83 6.984 -7.953 4.419 1.00 1.00 C ATOM 1220 O HIS A 83 7.084 -9.118 4.800 1.00 1.00 O ATOM 1221 CB HIS A 83 5.423 -7.008 2.590 1.00 1.00 C ATOM 1222 CG HIS A 83 4.005 -6.816 2.104 1.00 1.00 C ATOM 1223 ND1 HIS A 83 3.708 -6.598 0.820 1.00 1.00 N ATOM 1224 CD2 HIS A 83 2.807 -6.819 2.779 1.00 1.00 C ATOM 1225 CE1 HIS A 83 2.377 -6.469 0.699 1.00 1.00 C ATOM 1226 NE2 HIS A 83 1.773 -6.596 1.879 1.00 1.00 N ATOM 0 H HIS A 83 4.956 -5.401 4.356 1.00 1.00 H new ATOM 0 HA HIS A 83 4.884 -8.158 4.291 1.00 1.00 H new ATOM 0 HB2 HIS A 83 5.977 -6.090 2.393 1.00 1.00 H new ATOM 0 HB3 HIS A 83 5.884 -7.793 1.991 1.00 1.00 H new ATOM 0 HD1 HIS A 83 4.382 -6.539 0.057 1.00 1.00 H new ATOM 0 HD2 HIS A 83 2.689 -6.971 3.842 1.00 1.00 H new ATOM 0 HE1 HIS A 83 1.863 -6.286 -0.233 1.00 1.00 H new ATOM 1234 N SER A 84 8.005 -7.120 4.275 1.00 1.00 N ATOM 1235 CA SER A 84 9.363 -7.543 4.570 1.00 1.00 C ATOM 1236 C SER A 84 9.413 -8.228 5.937 1.00 1.00 C ATOM 1237 O SER A 84 9.942 -9.332 6.064 1.00 1.00 O ATOM 1238 CB SER A 84 10.329 -6.358 4.534 1.00 1.00 C ATOM 1239 OG SER A 84 11.636 -6.721 4.970 1.00 1.00 O ATOM 0 H SER A 84 7.918 -6.154 3.958 1.00 1.00 H new ATOM 0 HA SER A 84 9.674 -8.253 3.804 1.00 1.00 H new ATOM 0 HB2 SER A 84 10.382 -5.964 3.519 1.00 1.00 H new ATOM 0 HB3 SER A 84 9.945 -5.558 5.167 1.00 1.00 H new ATOM 0 HG SER A 84 12.223 -5.937 4.931 1.00 1.00 H new ATOM 1245 N LYS A 85 8.857 -7.544 6.926 1.00 1.00 N ATOM 1246 CA LYS A 85 8.832 -8.073 8.280 1.00 1.00 C ATOM 1247 C LYS A 85 7.974 -9.339 8.312 1.00 1.00 C ATOM 1248 O LYS A 85 8.258 -10.266 9.069 1.00 1.00 O ATOM 1249 CB LYS A 85 8.377 -6.996 9.267 1.00 1.00 C ATOM 1250 CG LYS A 85 9.441 -5.907 9.419 1.00 1.00 C ATOM 1251 CD LYS A 85 8.928 -4.563 8.897 1.00 1.00 C ATOM 1252 CE LYS A 85 8.823 -3.539 10.029 1.00 1.00 C ATOM 1253 NZ LYS A 85 7.423 -3.423 10.495 1.00 1.00 N ATOM 0 H LYS A 85 8.420 -6.629 6.817 1.00 1.00 H new ATOM 0 HA LYS A 85 9.835 -8.359 8.596 1.00 1.00 H new ATOM 0 HB2 LYS A 85 7.444 -6.552 8.921 1.00 1.00 H new ATOM 0 HB3 LYS A 85 8.174 -7.449 10.237 1.00 1.00 H new ATOM 0 HG2 LYS A 85 9.721 -5.811 10.468 1.00 1.00 H new ATOM 0 HG3 LYS A 85 10.340 -6.194 8.874 1.00 1.00 H new ATOM 0 HD2 LYS A 85 9.600 -4.189 8.124 1.00 1.00 H new ATOM 0 HD3 LYS A 85 7.951 -4.698 8.432 1.00 1.00 H new ATOM 0 HE2 LYS A 85 9.465 -3.837 10.858 1.00 1.00 H new ATOM 0 HE3 LYS A 85 9.179 -2.568 9.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 7.370 -2.724 11.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 6.819 -3.117 9.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 7.096 -4.346 10.844 1.00 1.00 H new ATOM 1266 N VAL A 86 6.941 -9.337 7.483 1.00 1.00 N ATOM 1267 CA VAL A 86 6.040 -10.474 7.407 1.00 1.00 C ATOM 1268 C VAL A 86 6.799 -11.687 6.865 1.00 1.00 C ATOM 1269 O VAL A 86 6.939 -12.695 7.555 1.00 1.00 O ATOM 1270 CB VAL A 86 4.812 -10.114 6.568 1.00 1.00 C ATOM 1271 CG1 VAL A 86 4.146 -11.371 6.004 1.00 1.00 C ATOM 1272 CG2 VAL A 86 3.817 -9.283 7.380 1.00 1.00 C ATOM 0 H VAL A 86 6.708 -8.566 6.858 1.00 1.00 H new ATOM 0 HA VAL A 86 5.674 -10.737 8.399 1.00 1.00 H new ATOM 0 HB VAL A 86 5.147 -9.507 5.727 1.00 1.00 H new ATOM 0 HG11 VAL A 86 3.276 -11.087 5.412 1.00 1.00 H new ATOM 0 HG12 VAL A 86 4.855 -11.907 5.373 1.00 1.00 H new ATOM 0 HG13 VAL A 86 3.832 -12.016 6.825 1.00 1.00 H new ATOM 0 HG21 VAL A 86 2.954 -9.041 6.760 1.00 1.00 H new ATOM 0 HG22 VAL A 86 3.491 -9.854 8.249 1.00 1.00 H new ATOM 0 HG23 VAL A 86 4.297 -8.361 7.710 1.00 1.00 H new ATOM 1282 N VAL A 87 7.270 -11.548 5.635 1.00 1.00 N ATOM 1283 CA VAL A 87 8.012 -12.620 4.992 1.00 1.00 C ATOM 1284 C VAL A 87 9.163 -13.054 5.902 1.00 1.00 C ATOM 1285 O VAL A 87 9.683 -14.160 5.766 1.00 1.00 O ATOM 1286 CB VAL A 87 8.482 -12.174 3.606 1.00 1.00 C ATOM 1287 CG1 VAL A 87 7.291 -11.932 2.676 1.00 1.00 C ATOM 1288 CG2 VAL A 87 9.365 -10.928 3.701 1.00 1.00 C ATOM 0 H VAL A 87 7.153 -10.710 5.066 1.00 1.00 H new ATOM 0 HA VAL A 87 7.372 -13.489 4.839 1.00 1.00 H new ATOM 0 HB VAL A 87 9.082 -12.978 3.181 1.00 1.00 H new ATOM 0 HG11 VAL A 87 7.652 -11.616 1.697 1.00 1.00 H new ATOM 0 HG12 VAL A 87 6.718 -12.853 2.571 1.00 1.00 H new ATOM 0 HG13 VAL A 87 6.653 -11.154 3.096 1.00 1.00 H new ATOM 0 HG21 VAL A 87 9.685 -10.632 2.702 1.00 1.00 H new ATOM 0 HG22 VAL A 87 8.799 -10.115 4.156 1.00 1.00 H new ATOM 0 HG23 VAL A 87 10.240 -11.148 4.312 1.00 1.00 H new ATOM 1298 N ALA A 88 9.527 -12.160 6.810 1.00 1.00 N ATOM 1299 CA ALA A 88 10.607 -12.437 7.742 1.00 1.00 C ATOM 1300 C ALA A 88 10.467 -13.866 8.268 1.00 1.00 C ATOM 1301 O ALA A 88 11.463 -14.565 8.451 1.00 1.00 O ATOM 1302 CB ALA A 88 10.592 -11.398 8.865 1.00 1.00 C ATOM 0 H ALA A 88 9.093 -11.243 6.920 1.00 1.00 H new ATOM 0 HA ALA A 88 11.573 -12.363 7.243 1.00 1.00 H new ATOM 0 HB1 ALA A 88 11.402 -11.606 9.564 1.00 1.00 H new ATOM 0 HB2 ALA A 88 10.725 -10.402 8.441 1.00 1.00 H new ATOM 0 HB3 ALA A 88 9.638 -11.444 9.391 1.00 1.00 H new ATOM 1308 N GLU A 89 9.222 -14.259 8.497 1.00 1.00 N ATOM 1309 CA GLU A 89 8.939 -15.593 8.999 1.00 1.00 C ATOM 1310 C GLU A 89 8.840 -16.586 7.840 1.00 1.00 C ATOM 1311 O GLU A 89 9.279 -17.729 7.958 1.00 1.00 O ATOM 1312 CB GLU A 89 7.660 -15.602 9.840 1.00 1.00 C ATOM 1313 CG GLU A 89 7.922 -15.048 11.241 1.00 1.00 C ATOM 1314 CD GLU A 89 7.225 -15.898 12.306 1.00 1.00 C ATOM 1315 OE1 GLU A 89 7.792 -16.897 12.771 1.00 1.00 O ATOM 1316 OE2 GLU A 89 6.051 -15.487 12.648 1.00 1.00 O ATOM 0 H GLU A 89 8.398 -13.677 8.344 1.00 1.00 H new ATOM 0 HA GLU A 89 9.762 -15.900 9.645 1.00 1.00 H new ATOM 0 HB2 GLU A 89 6.892 -15.006 9.347 1.00 1.00 H new ATOM 0 HB3 GLU A 89 7.276 -16.619 9.913 1.00 1.00 H new ATOM 0 HG2 GLU A 89 8.995 -15.026 11.433 1.00 1.00 H new ATOM 0 HG3 GLU A 89 7.567 -14.019 11.302 1.00 1.00 H new ATOM 1324 N LYS A 90 8.261 -16.114 6.745 1.00 1.00 N ATOM 1325 CA LYS A 90 8.099 -16.947 5.566 1.00 1.00 C ATOM 1326 C LYS A 90 8.773 -16.268 4.371 1.00 1.00 C ATOM 1327 O LYS A 90 8.179 -15.463 3.658 1.00 1.00 O ATOM 1328 CB LYS A 90 6.622 -17.270 5.336 1.00 1.00 C ATOM 1329 CG LYS A 90 5.897 -17.497 6.665 1.00 1.00 C ATOM 1330 CD LYS A 90 5.081 -18.790 6.630 1.00 1.00 C ATOM 1331 CE LYS A 90 3.602 -18.499 6.373 1.00 1.00 C ATOM 1332 NZ LYS A 90 2.818 -18.655 7.619 1.00 1.00 N ATOM 0 H LYS A 90 7.899 -15.165 6.650 1.00 1.00 H new ATOM 0 HA LYS A 90 8.593 -17.908 5.708 1.00 1.00 H new ATOM 0 HB2 LYS A 90 6.147 -16.452 4.794 1.00 1.00 H new ATOM 0 HB3 LYS A 90 6.533 -18.160 4.713 1.00 1.00 H new ATOM 0 HG2 LYS A 90 6.623 -17.543 7.476 1.00 1.00 H new ATOM 0 HG3 LYS A 90 5.239 -16.653 6.873 1.00 1.00 H new ATOM 0 HD2 LYS A 90 5.467 -19.446 5.850 1.00 1.00 H new ATOM 0 HD3 LYS A 90 5.192 -19.320 7.576 1.00 1.00 H new ATOM 0 HE2 LYS A 90 3.486 -17.486 5.988 1.00 1.00 H new ATOM 0 HE3 LYS A 90 3.220 -19.176 5.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 1.816 -18.454 7.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 2.914 -19.629 7.970 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 3.172 -17.992 8.337 1.00 1.00 H new ATOM 1345 N PRO A 91 10.046 -16.616 4.169 1.00 1.00 N ATOM 1346 CA PRO A 91 10.873 -16.100 3.099 1.00 1.00 C ATOM 1347 C PRO A 91 10.515 -16.798 1.795 1.00 1.00 C ATOM 1348 O PRO A 91 11.220 -16.607 0.806 1.00 1.00 O ATOM 1349 CB PRO A 91 12.304 -16.424 3.519 1.00 1.00 C ATOM 1350 CG PRO A 91 12.173 -17.616 4.376 1.00 1.00 C ATOM 1351 CD PRO A 91 10.775 -17.559 4.989 1.00 1.00 C ATOM 0 HA PRO A 91 10.737 -15.031 2.935 1.00 1.00 H new ATOM 0 HB2 PRO A 91 12.936 -16.624 2.654 1.00 1.00 H new ATOM 0 HB3 PRO A 91 12.757 -15.593 4.060 1.00 1.00 H new ATOM 0 HG2 PRO A 91 12.304 -18.528 3.794 1.00 1.00 H new ATOM 0 HG3 PRO A 91 12.937 -17.621 5.153 1.00 1.00 H new ATOM 0 HD2 PRO A 91 10.300 -18.540 4.980 1.00 1.00 H new ATOM 0 HD3 PRO A 91 10.812 -17.232 6.028 1.00 1.00 H new ATOM 1359 N GLU A 92 9.447 -17.582 1.814 1.00 1.00 N ATOM 1360 CA GLU A 92 9.020 -18.296 0.623 1.00 1.00 C ATOM 1361 C GLU A 92 7.877 -17.547 -0.064 1.00 1.00 C ATOM 1362 O GLU A 92 7.444 -17.928 -1.150 1.00 1.00 O ATOM 1363 CB GLU A 92 8.611 -19.731 0.961 1.00 1.00 C ATOM 1364 CG GLU A 92 9.481 -20.740 0.209 1.00 1.00 C ATOM 1365 CD GLU A 92 10.132 -21.731 1.177 1.00 1.00 C ATOM 1366 OE1 GLU A 92 11.306 -21.562 1.541 1.00 1.00 O ATOM 1367 OE2 GLU A 92 9.374 -22.704 1.553 1.00 1.00 O ATOM 0 H GLU A 92 8.864 -17.738 2.636 1.00 1.00 H new ATOM 0 HA GLU A 92 9.862 -18.346 -0.068 1.00 1.00 H new ATOM 0 HB2 GLU A 92 8.702 -19.896 2.035 1.00 1.00 H new ATOM 0 HB3 GLU A 92 7.563 -19.885 0.703 1.00 1.00 H new ATOM 0 HG2 GLU A 92 8.873 -21.281 -0.516 1.00 1.00 H new ATOM 0 HG3 GLU A 92 10.253 -20.213 -0.352 1.00 1.00 H new ATOM 1375 N LEU A 93 7.420 -16.494 0.598 1.00 1.00 N ATOM 1376 CA LEU A 93 6.334 -15.688 0.065 1.00 1.00 C ATOM 1377 C LEU A 93 6.875 -14.314 -0.336 1.00 1.00 C ATOM 1378 O LEU A 93 6.129 -13.469 -0.828 1.00 1.00 O ATOM 1379 CB LEU A 93 5.174 -15.626 1.060 1.00 1.00 C ATOM 1380 CG LEU A 93 4.258 -16.851 1.100 1.00 1.00 C ATOM 1381 CD1 LEU A 93 3.052 -16.605 2.008 1.00 1.00 C ATOM 1382 CD2 LEU A 93 3.838 -17.268 -0.311 1.00 1.00 C ATOM 0 H LEU A 93 7.782 -16.180 1.499 1.00 1.00 H new ATOM 0 HA LEU A 93 5.926 -16.146 -0.836 1.00 1.00 H new ATOM 0 HB2 LEU A 93 5.585 -15.472 2.058 1.00 1.00 H new ATOM 0 HB3 LEU A 93 4.567 -14.751 0.826 1.00 1.00 H new ATOM 0 HG LEU A 93 4.818 -17.682 1.528 1.00 1.00 H new ATOM 0 HD11 LEU A 93 2.418 -17.491 2.018 1.00 1.00 H new ATOM 0 HD12 LEU A 93 3.396 -16.393 3.020 1.00 1.00 H new ATOM 0 HD13 LEU A 93 2.482 -15.755 1.633 1.00 1.00 H new ATOM 0 HD21 LEU A 93 3.188 -18.141 -0.254 1.00 1.00 H new ATOM 0 HD22 LEU A 93 3.303 -16.447 -0.789 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.724 -17.513 -0.897 1.00 1.00 H new ATOM 1394 N LYS A 94 8.168 -14.133 -0.110 1.00 1.00 N ATOM 1395 CA LYS A 94 8.817 -12.876 -0.442 1.00 1.00 C ATOM 1396 C LYS A 94 8.613 -12.578 -1.928 1.00 1.00 C ATOM 1397 O LYS A 94 8.519 -11.418 -2.325 1.00 1.00 O ATOM 1398 CB LYS A 94 10.286 -12.903 -0.016 1.00 1.00 C ATOM 1399 CG LYS A 94 11.147 -12.067 -0.965 1.00 1.00 C ATOM 1400 CD LYS A 94 12.635 -12.252 -0.662 1.00 1.00 C ATOM 1401 CE LYS A 94 13.251 -10.958 -0.125 1.00 1.00 C ATOM 1402 NZ LYS A 94 14.622 -11.205 0.376 1.00 1.00 N ATOM 0 H LYS A 94 8.784 -14.836 0.299 1.00 1.00 H new ATOM 0 HA LYS A 94 8.363 -12.055 0.113 1.00 1.00 H new ATOM 0 HB2 LYS A 94 10.381 -12.520 1.000 1.00 1.00 H new ATOM 0 HB3 LYS A 94 10.646 -13.932 -0.003 1.00 1.00 H new ATOM 0 HG2 LYS A 94 10.944 -12.356 -1.996 1.00 1.00 H new ATOM 0 HG3 LYS A 94 10.881 -11.014 -0.871 1.00 1.00 H new ATOM 0 HD2 LYS A 94 12.764 -13.051 0.068 1.00 1.00 H new ATOM 0 HD3 LYS A 94 13.158 -12.560 -1.567 1.00 1.00 H new ATOM 0 HE2 LYS A 94 13.276 -10.206 -0.913 1.00 1.00 H new ATOM 0 HE3 LYS A 94 12.631 -10.559 0.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 15.025 -10.317 0.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 14.590 -11.907 1.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 15.215 -11.565 -0.399 1.00 1.00 H new ATOM 1415 N LYS A 95 8.550 -13.646 -2.710 1.00 1.00 N ATOM 1416 CA LYS A 95 8.358 -13.514 -4.144 1.00 1.00 C ATOM 1417 C LYS A 95 6.937 -13.020 -4.421 1.00 1.00 C ATOM 1418 O LYS A 95 6.596 -12.708 -5.561 1.00 1.00 O ATOM 1419 CB LYS A 95 8.703 -14.825 -4.854 1.00 1.00 C ATOM 1420 CG LYS A 95 7.565 -15.838 -4.717 1.00 1.00 C ATOM 1421 CD LYS A 95 6.575 -15.711 -5.877 1.00 1.00 C ATOM 1422 CE LYS A 95 5.633 -16.915 -5.928 1.00 1.00 C ATOM 1423 NZ LYS A 95 5.869 -17.706 -7.156 1.00 1.00 N ATOM 0 H LYS A 95 8.629 -14.607 -2.377 1.00 1.00 H new ATOM 0 HA LYS A 95 9.040 -12.768 -4.552 1.00 1.00 H new ATOM 0 HB2 LYS A 95 8.897 -14.631 -5.909 1.00 1.00 H new ATOM 0 HB3 LYS A 95 9.618 -15.241 -4.433 1.00 1.00 H new ATOM 0 HG2 LYS A 95 7.974 -16.848 -4.692 1.00 1.00 H new ATOM 0 HG3 LYS A 95 7.045 -15.681 -3.772 1.00 1.00 H new ATOM 0 HD2 LYS A 95 5.995 -14.795 -5.766 1.00 1.00 H new ATOM 0 HD3 LYS A 95 7.120 -15.631 -6.818 1.00 1.00 H new ATOM 0 HE2 LYS A 95 5.787 -17.542 -5.050 1.00 1.00 H new ATOM 0 HE3 LYS A 95 4.598 -16.576 -5.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 5.221 -18.519 -7.175 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 5.700 -17.110 -7.991 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 6.852 -18.046 -7.167 1.00 1.00 H new ATOM 1436 N ASP A 96 6.146 -12.965 -3.359 1.00 1.00 N ATOM 1437 CA ASP A 96 4.770 -12.514 -3.474 1.00 1.00 C ATOM 1438 C ASP A 96 4.594 -11.218 -2.679 1.00 1.00 C ATOM 1439 O ASP A 96 3.938 -10.286 -3.142 1.00 1.00 O ATOM 1440 CB ASP A 96 3.801 -13.552 -2.905 1.00 1.00 C ATOM 1441 CG ASP A 96 3.607 -14.799 -3.771 1.00 1.00 C ATOM 1442 OD1 ASP A 96 4.208 -15.853 -3.517 1.00 1.00 O ATOM 1443 OD2 ASP A 96 2.787 -14.655 -4.756 1.00 1.00 O ATOM 0 H ASP A 96 6.432 -13.225 -2.415 1.00 1.00 H new ATOM 0 HA ASP A 96 4.553 -12.359 -4.531 1.00 1.00 H new ATOM 0 HB2 ASP A 96 4.160 -13.862 -1.923 1.00 1.00 H new ATOM 0 HB3 ASP A 96 2.831 -13.078 -2.755 1.00 1.00 H new ATOM 1449 N LEU A 97 5.192 -11.201 -1.497 1.00 1.00 N ATOM 1450 CA LEU A 97 5.110 -10.035 -0.634 1.00 1.00 C ATOM 1451 C LEU A 97 6.411 -9.237 -0.737 1.00 1.00 C ATOM 1452 O LEU A 97 6.989 -8.852 0.278 1.00 1.00 O ATOM 1453 CB LEU A 97 4.754 -10.450 0.795 1.00 1.00 C ATOM 1454 CG LEU A 97 3.500 -11.312 0.951 1.00 1.00 C ATOM 1455 CD1 LEU A 97 2.541 -10.704 1.975 1.00 1.00 C ATOM 1456 CD2 LEU A 97 2.823 -11.544 -0.401 1.00 1.00 C ATOM 0 H LEU A 97 5.735 -11.976 -1.117 1.00 1.00 H new ATOM 0 HA LEU A 97 4.305 -9.376 -0.959 1.00 1.00 H new ATOM 0 HB2 LEU A 97 5.600 -10.995 1.215 1.00 1.00 H new ATOM 0 HB3 LEU A 97 4.627 -9.548 1.393 1.00 1.00 H new ATOM 0 HG LEU A 97 3.801 -12.288 1.332 1.00 1.00 H new ATOM 0 HD11 LEU A 97 1.658 -11.336 2.067 1.00 1.00 H new ATOM 0 HD12 LEU A 97 3.039 -10.633 2.942 1.00 1.00 H new ATOM 0 HD13 LEU A 97 2.242 -9.708 1.647 1.00 1.00 H new ATOM 0 HD21 LEU A 97 1.934 -12.160 -0.262 1.00 1.00 H new ATOM 0 HD22 LEU A 97 2.536 -10.585 -0.834 1.00 1.00 H new ATOM 0 HD23 LEU A 97 3.515 -12.053 -1.072 1.00 1.00 H new ATOM 1468 N THR A 98 6.834 -9.012 -1.972 1.00 1.00 N ATOM 1469 CA THR A 98 8.056 -8.267 -2.221 1.00 1.00 C ATOM 1470 C THR A 98 8.509 -8.453 -3.671 1.00 1.00 C ATOM 1471 O THR A 98 9.146 -7.571 -4.244 1.00 1.00 O ATOM 1472 CB THR A 98 9.100 -8.715 -1.196 1.00 1.00 C ATOM 1473 OG1 THR A 98 9.083 -7.686 -0.211 1.00 1.00 O ATOM 1474 CG2 THR A 98 10.524 -8.673 -1.754 1.00 1.00 C ATOM 0 H THR A 98 6.352 -9.333 -2.812 1.00 1.00 H new ATOM 0 HA THR A 98 7.898 -7.196 -2.098 1.00 1.00 H new ATOM 0 HB THR A 98 8.870 -9.727 -0.863 1.00 1.00 H new ATOM 0 HG1 THR A 98 8.216 -7.684 0.245 1.00 1.00 H new ATOM 0 HG21 THR A 98 11.225 -9.000 -0.986 1.00 1.00 H new ATOM 0 HG22 THR A 98 10.596 -9.334 -2.617 1.00 1.00 H new ATOM 0 HG23 THR A 98 10.766 -7.654 -2.056 1.00 1.00 H new ATOM 1482 N GLY A 99 8.161 -9.607 -4.222 1.00 1.00 N ATOM 1483 CA GLY A 99 8.524 -9.920 -5.594 1.00 1.00 C ATOM 1484 C GLY A 99 8.225 -8.741 -6.522 1.00 1.00 C ATOM 1485 O GLY A 99 7.113 -8.216 -6.527 1.00 1.00 O ATOM 0 H GLY A 99 7.632 -10.336 -3.744 1.00 1.00 H new ATOM 0 HA2 GLY A 99 9.584 -10.169 -5.646 1.00 1.00 H new ATOM 0 HA3 GLY A 99 7.973 -10.799 -5.928 1.00 1.00 H new ATOM 1489 N CYS A 100 9.238 -8.360 -7.287 1.00 1.00 N ATOM 1490 CA CYS A 100 9.098 -7.253 -8.218 1.00 1.00 C ATOM 1491 C CYS A 100 8.339 -7.754 -9.448 1.00 1.00 C ATOM 1492 O CYS A 100 7.400 -7.106 -9.908 1.00 1.00 O ATOM 1493 CB CYS A 100 10.455 -6.652 -8.590 1.00 1.00 C ATOM 1494 SG CYS A 100 11.411 -5.984 -7.180 1.00 1.00 S ATOM 0 H CYS A 100 10.159 -8.798 -7.281 1.00 1.00 H new ATOM 0 HA CYS A 100 8.534 -6.447 -7.748 1.00 1.00 H new ATOM 0 HB2 CYS A 100 11.052 -7.418 -9.085 1.00 1.00 H new ATOM 0 HB3 CYS A 100 10.296 -5.853 -9.314 1.00 1.00 H new ATOM 1499 N ALA A 101 8.773 -8.902 -9.946 1.00 1.00 N ATOM 1500 CA ALA A 101 8.146 -9.497 -11.113 1.00 1.00 C ATOM 1501 C ALA A 101 7.494 -10.823 -10.717 1.00 1.00 C ATOM 1502 O ALA A 101 8.080 -11.610 -9.975 1.00 1.00 O ATOM 1503 CB ALA A 101 9.188 -9.667 -12.221 1.00 1.00 C ATOM 0 H ALA A 101 9.552 -9.436 -9.562 1.00 1.00 H new ATOM 0 HA ALA A 101 7.361 -8.847 -11.500 1.00 1.00 H new ATOM 0 HB1 ALA A 101 8.718 -10.114 -13.097 1.00 1.00 H new ATOM 0 HB2 ALA A 101 9.599 -8.693 -12.487 1.00 1.00 H new ATOM 0 HB3 ALA A 101 9.990 -10.316 -11.870 1.00 1.00 H new ATOM 1509 N LYS A 102 6.290 -11.030 -11.229 1.00 1.00 N ATOM 1510 CA LYS A 102 5.552 -12.247 -10.938 1.00 1.00 C ATOM 1511 C LYS A 102 5.149 -12.253 -9.462 1.00 1.00 C ATOM 1512 O LYS A 102 5.254 -13.278 -8.790 1.00 1.00 O ATOM 1513 CB LYS A 102 6.359 -13.477 -11.360 1.00 1.00 C ATOM 1514 CG LYS A 102 6.486 -13.553 -12.883 1.00 1.00 C ATOM 1515 CD LYS A 102 7.943 -13.391 -13.320 1.00 1.00 C ATOM 1516 CE LYS A 102 8.038 -12.612 -14.634 1.00 1.00 C ATOM 1517 NZ LYS A 102 8.856 -13.354 -15.619 1.00 1.00 N ATOM 0 H LYS A 102 5.807 -10.375 -11.844 1.00 1.00 H new ATOM 0 HA LYS A 102 4.632 -12.283 -11.521 1.00 1.00 H new ATOM 0 HB2 LYS A 102 7.351 -13.437 -10.910 1.00 1.00 H new ATOM 0 HB3 LYS A 102 5.875 -14.380 -10.986 1.00 1.00 H new ATOM 0 HG2 LYS A 102 6.101 -14.509 -13.236 1.00 1.00 H new ATOM 0 HG3 LYS A 102 5.876 -12.775 -13.342 1.00 1.00 H new ATOM 0 HD2 LYS A 102 8.504 -12.871 -12.543 1.00 1.00 H new ATOM 0 HD3 LYS A 102 8.401 -14.372 -13.441 1.00 1.00 H new ATOM 0 HE2 LYS A 102 7.039 -12.443 -15.036 1.00 1.00 H new ATOM 0 HE3 LYS A 102 8.479 -11.632 -14.451 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 8.910 -12.811 -16.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 9.814 -13.494 -15.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 8.419 -14.279 -15.806 1.00 1.00 H new ATOM 1530 N SER A 103 4.695 -11.097 -9.001 1.00 1.00 N ATOM 1531 CA SER A 103 4.275 -10.956 -7.617 1.00 1.00 C ATOM 1532 C SER A 103 2.770 -10.694 -7.551 1.00 1.00 C ATOM 1533 O SER A 103 2.145 -10.382 -8.564 1.00 1.00 O ATOM 1534 CB SER A 103 5.041 -9.830 -6.921 1.00 1.00 C ATOM 1535 OG SER A 103 4.952 -8.601 -7.638 1.00 1.00 O ATOM 0 H SER A 103 4.609 -10.249 -9.561 1.00 1.00 H new ATOM 0 HA SER A 103 4.498 -11.887 -7.096 1.00 1.00 H new ATOM 0 HB2 SER A 103 4.647 -9.692 -5.914 1.00 1.00 H new ATOM 0 HB3 SER A 103 6.088 -10.114 -6.817 1.00 1.00 H new ATOM 0 HG SER A 103 5.634 -7.980 -7.308 1.00 1.00 H new ATOM 1541 N LYS A 104 2.230 -10.829 -6.348 1.00 1.00 N ATOM 1542 CA LYS A 104 0.809 -10.611 -6.137 1.00 1.00 C ATOM 1543 C LYS A 104 0.450 -9.182 -6.551 1.00 1.00 C ATOM 1544 O LYS A 104 -0.702 -8.897 -6.873 1.00 1.00 O ATOM 1545 CB LYS A 104 0.424 -10.948 -4.695 1.00 1.00 C ATOM 1546 CG LYS A 104 0.333 -12.462 -4.492 1.00 1.00 C ATOM 1547 CD LYS A 104 -0.847 -13.050 -5.269 1.00 1.00 C ATOM 1548 CE LYS A 104 -1.974 -13.465 -4.321 1.00 1.00 C ATOM 1549 NZ LYS A 104 -3.226 -13.699 -5.076 1.00 1.00 N ATOM 0 H LYS A 104 2.751 -11.087 -5.510 1.00 1.00 H new ATOM 0 HA LYS A 104 0.223 -11.282 -6.765 1.00 1.00 H new ATOM 0 HB2 LYS A 104 1.162 -10.529 -4.010 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -0.533 -10.487 -4.453 1.00 1.00 H new ATOM 0 HG2 LYS A 104 1.260 -12.933 -4.820 1.00 1.00 H new ATOM 0 HG3 LYS A 104 0.221 -12.684 -3.431 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -1.219 -12.315 -5.983 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -0.514 -13.914 -5.845 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -1.691 -14.371 -3.785 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -2.133 -12.688 -3.573 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -3.981 -13.980 -4.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -3.503 -12.826 -5.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -3.075 -14.456 -5.773 1.00 1.00 H new ATOM 1562 N CYS A 105 1.458 -8.323 -6.530 1.00 1.00 N ATOM 1563 CA CYS A 105 1.263 -6.931 -6.899 1.00 1.00 C ATOM 1564 C CYS A 105 1.504 -6.795 -8.404 1.00 1.00 C ATOM 1565 O CYS A 105 0.618 -6.383 -9.149 1.00 1.00 O ATOM 1566 CB CYS A 105 2.167 -5.999 -6.089 1.00 1.00 C ATOM 1567 SG CYS A 105 1.175 -5.079 -4.858 1.00 1.00 S ATOM 0 H CYS A 105 2.413 -8.564 -6.263 1.00 1.00 H new ATOM 0 HA CYS A 105 0.241 -6.630 -6.667 1.00 1.00 H new ATOM 0 HB2 CYS A 105 2.941 -6.577 -5.585 1.00 1.00 H new ATOM 0 HB3 CYS A 105 2.673 -5.301 -6.755 1.00 1.00 H new ATOM 1572 N HIS A 106 2.721 -7.153 -8.814 1.00 1.00 N ATOM 1573 CA HIS A 106 3.135 -7.092 -10.211 1.00 1.00 C ATOM 1574 C HIS A 106 3.106 -8.503 -10.825 1.00 1.00 C ATOM 1575 O HIS A 106 3.977 -9.334 -10.579 1.00 1.00 O ATOM 1576 CB HIS A 106 4.501 -6.395 -10.295 1.00 1.00 C ATOM 1577 CG HIS A 106 4.563 -4.961 -9.821 1.00 1.00 C ATOM 1578 ND1 HIS A 106 3.829 -3.989 -10.371 1.00 1.00 N ATOM 1579 CD2 HIS A 106 5.300 -4.366 -8.825 1.00 1.00 C ATOM 1580 CE1 HIS A 106 4.098 -2.834 -9.743 1.00 1.00 C ATOM 1581 NE2 HIS A 106 5.000 -3.010 -8.779 1.00 1.00 N ATOM 0 H HIS A 106 3.447 -7.494 -8.184 1.00 1.00 H new ATOM 0 HA HIS A 106 2.443 -6.496 -10.806 1.00 1.00 H new ATOM 0 HB2 HIS A 106 5.216 -6.977 -9.713 1.00 1.00 H new ATOM 0 HB3 HIS A 106 4.835 -6.425 -11.332 1.00 1.00 H new ATOM 0 HD1 HIS A 106 3.172 -4.106 -11.142 1.00 1.00 H new ATOM 0 HD2 HIS A 106 6.002 -4.873 -8.179 1.00 1.00 H new ATOM 0 HE1 HIS A 106 3.643 -1.886 -9.987 1.00 1.00 H new ATOM 1589 N PRO A 107 2.075 -8.752 -11.636 1.00 1.00 N ATOM 1590 CA PRO A 107 1.858 -10.010 -12.317 1.00 1.00 C ATOM 1591 C PRO A 107 3.075 -10.348 -13.166 1.00 1.00 C ATOM 1592 O PRO A 107 4.170 -9.853 -12.908 1.00 1.00 O ATOM 1593 CB PRO A 107 0.629 -9.775 -13.193 1.00 1.00 C ATOM 1594 CG PRO A 107 -0.079 -8.625 -12.591 1.00 1.00 C ATOM 1595 CD PRO A 107 1.032 -7.799 -11.948 1.00 1.00 C ATOM 0 HA PRO A 107 1.707 -10.843 -11.630 1.00 1.00 H new ATOM 0 HB2 PRO A 107 0.917 -9.562 -14.222 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -0.009 -10.658 -13.217 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -0.618 -8.050 -13.344 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -0.812 -8.950 -11.853 1.00 1.00 H new ATOM 0 HD2 PRO A 107 1.393 -7.027 -12.627 1.00 1.00 H new ATOM 0 HD3 PRO A 107 0.678 -7.293 -11.050 1.00 1.00 H new TER 1603 PRO A 107 HETATM 1604 CHA HEM A 233 -9.561 1.819 -0.002 1.00 1.00 C HETATM 1605 CHB HEM A 233 -12.123 1.163 4.088 1.00 1.00 C HETATM 1606 CHC HEM A 233 -8.410 -1.329 6.019 1.00 1.00 C HETATM 1607 CHD HEM A 233 -5.665 -0.203 2.108 1.00 1.00 C HETATM 1608 C1A HEM A 233 -10.583 1.831 0.942 1.00 1.00 C HETATM 1609 C2A HEM A 233 -11.885 2.414 0.721 1.00 1.00 C HETATM 1610 C3A HEM A 233 -12.598 2.234 1.853 1.00 1.00 C HETATM 1611 C4A HEM A 233 -11.743 1.537 2.786 1.00 1.00 C HETATM 1612 CMA HEM A 233 -14.010 2.659 2.134 1.00 1.00 C HETATM 1613 CAA HEM A 233 -12.321 3.086 -0.548 1.00 1.00 C HETATM 1614 CBA HEM A 233 -12.182 4.606 -0.526 1.00 1.00 C HETATM 1615 CGA HEM A 233 -13.055 5.251 -1.593 1.00 1.00 C HETATM 1616 O1A HEM A 233 -12.514 5.505 -2.691 1.00 1.00 O HETATM 1617 O2A HEM A 233 -14.246 5.478 -1.291 1.00 1.00 O HETATM 1618 C1B HEM A 233 -11.332 0.418 4.956 1.00 1.00 C HETATM 1619 C2B HEM A 233 -11.753 -0.017 6.267 1.00 1.00 C HETATM 1620 C3B HEM A 233 -10.726 -0.708 6.805 1.00 1.00 C HETATM 1621 C4B HEM A 233 -9.658 -0.708 5.833 1.00 1.00 C HETATM 1622 CMB HEM A 233 -13.094 0.269 6.877 1.00 1.00 C HETATM 1623 CAB HEM A 233 -10.660 -1.367 8.152 1.00 1.00 C HETATM 1624 CBB HEM A 233 -11.735 -2.427 8.377 1.00 1.00 C HETATM 1625 C1C HEM A 233 -7.285 -1.162 5.137 1.00 1.00 C HETATM 1626 C2C HEM A 233 -5.941 -1.617 5.407 1.00 1.00 C HETATM 1627 C3C HEM A 233 -5.194 -1.315 4.324 1.00 1.00 C HETATM 1628 C4C HEM A 233 -6.069 -0.671 3.372 1.00 1.00 C HETATM 1629 CMC HEM A 233 -5.502 -2.294 6.673 1.00 1.00 C HETATM 1630 CAC HEM A 233 -3.733 -1.580 4.106 1.00 1.00 C HETATM 1631 CBC HEM A 233 -3.318 -3.025 4.367 1.00 1.00 C HETATM 1632 C1D HEM A 233 -6.506 0.419 1.192 1.00 1.00 C HETATM 1633 C2D HEM A 233 -6.103 0.829 -0.133 1.00 1.00 C HETATM 1634 C3D HEM A 233 -7.180 1.390 -0.720 1.00 1.00 C HETATM 1635 C4D HEM A 233 -8.262 1.333 0.234 1.00 1.00 C HETATM 1636 CMD HEM A 233 -4.728 0.645 -0.707 1.00 1.00 C HETATM 1637 CAD HEM A 233 -7.282 1.974 -2.099 1.00 1.00 C HETATM 1638 CBD HEM A 233 -6.585 3.323 -2.255 1.00 1.00 C HETATM 1639 CGD HEM A 233 -5.482 3.253 -3.300 1.00 1.00 C HETATM 1640 O1D HEM A 233 -4.307 3.176 -2.880 1.00 1.00 O HETATM 1641 O2D HEM A 233 -5.833 3.277 -4.499 1.00 1.00 O HETATM 1642 NA HEM A 233 -10.506 1.295 2.216 1.00 1.00 N HETATM 1643 NB HEM A 233 -10.042 -0.013 4.699 1.00 1.00 N HETATM 1644 NC HEM A 233 -7.352 -0.582 3.882 1.00 1.00 N HETATM 1645 ND HEM A 233 -7.837 0.734 1.407 1.00 1.00 N HETATM 1646 FE HEM A 233 -8.920 0.324 3.191 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 -14.465 1.964 2.840 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 -14.581 2.660 1.206 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 -14.010 3.662 2.561 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 -13.366 -0.541 7.554 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 -13.843 0.349 6.089 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 -13.049 1.206 7.432 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -6.110 -1.939 7.505 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -4.454 -2.063 6.865 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -5.623 -3.372 6.570 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 -4.798 0.525 -1.788 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 -4.268 -0.243 -0.272 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 -4.118 1.519 -0.478 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -11.778 -2.968 9.323 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -12.460 -2.643 7.592 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -2.278 -3.325 4.238 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -4.061 -3.757 4.682 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 -11.140 4.882 -0.689 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 -12.463 4.986 0.456 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 -13.362 2.830 -0.743 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 -11.734 2.690 -1.377 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 -6.164 3.631 -1.298 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 -7.314 4.081 -2.542 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 -8.335 2.089 -2.357 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 -6.854 1.271 -2.813 1.00 1.00 H new HETATM 0 HHA HEM A 233 -9.780 2.210 -0.985 1.00 1.00 H new HETATM 0 HHB HEM A 233 -13.096 1.476 4.437 1.00 1.00 H new HETATM 0 HHC HEM A 233 -8.288 -1.972 6.878 1.00 1.00 H new HETATM 0 HHD HEM A 233 -4.630 -0.336 1.830 1.00 1.00 H new HETATM 0 HAB HEM A 233 -9.912 -1.112 8.902 1.00 1.00 H new HETATM 0 HAC HEM A 233 -3.031 -0.809 3.789 1.00 1.00 H new HETATM 1647 CHA HEM A 251 2.844 10.113 4.646 1.00 1.00 C HETATM 1648 CHB HEM A 251 0.791 5.984 3.077 1.00 1.00 C HETATM 1649 CHC HEM A 251 -3.250 8.427 1.882 1.00 1.00 C HETATM 1650 CHD HEM A 251 -1.088 12.615 3.232 1.00 1.00 C HETATM 1651 C1A HEM A 251 2.624 8.778 4.323 1.00 1.00 C HETATM 1652 C2A HEM A 251 3.585 7.722 4.538 1.00 1.00 C HETATM 1653 C3A HEM A 251 3.019 6.576 4.104 1.00 1.00 C HETATM 1654 C4A HEM A 251 1.702 6.911 3.616 1.00 1.00 C HETATM 1655 CMA HEM A 251 3.607 5.195 4.109 1.00 1.00 C HETATM 1656 CAA HEM A 251 4.948 7.910 5.137 1.00 1.00 C HETATM 1657 CBA HEM A 251 5.865 8.817 4.321 1.00 1.00 C HETATM 1658 CGA HEM A 251 6.458 9.918 5.188 1.00 1.00 C HETATM 1659 O1A HEM A 251 5.745 10.356 6.116 1.00 1.00 O HETATM 1660 O2A HEM A 251 7.614 10.301 4.906 1.00 1.00 O HETATM 1661 C1B HEM A 251 -0.504 6.294 2.673 1.00 1.00 C HETATM 1662 C2B HEM A 251 -1.497 5.312 2.308 1.00 1.00 C HETATM 1663 C3B HEM A 251 -2.618 5.986 1.976 1.00 1.00 C HETATM 1664 C4B HEM A 251 -2.330 7.392 2.132 1.00 1.00 C HETATM 1665 CMB HEM A 251 -1.278 3.827 2.312 1.00 1.00 C HETATM 1666 CAB HEM A 251 -3.935 5.424 1.526 1.00 1.00 C HETATM 1667 CBB HEM A 251 -4.453 4.282 2.396 1.00 1.00 C HETATM 1668 C1C HEM A 251 -2.994 9.806 2.140 1.00 1.00 C HETATM 1669 C2C HEM A 251 -3.910 10.877 1.825 1.00 1.00 C HETATM 1670 C3C HEM A 251 -3.312 12.030 2.191 1.00 1.00 C HETATM 1671 C4C HEM A 251 -2.020 11.684 2.737 1.00 1.00 C HETATM 1672 CMC HEM A 251 -5.265 10.695 1.206 1.00 1.00 C HETATM 1673 CAC HEM A 251 -3.848 13.427 2.073 1.00 1.00 C HETATM 1674 CBC HEM A 251 -5.294 13.578 2.535 1.00 1.00 C HETATM 1675 C1D HEM A 251 0.170 12.285 3.724 1.00 1.00 C HETATM 1676 C2D HEM A 251 1.134 13.249 4.201 1.00 1.00 C HETATM 1677 C3D HEM A 251 2.225 12.559 4.593 1.00 1.00 C HETATM 1678 C4D HEM A 251 1.949 11.160 4.363 1.00 1.00 C HETATM 1679 CMD HEM A 251 0.918 14.734 4.235 1.00 1.00 C HETATM 1680 CAD HEM A 251 3.504 13.098 5.165 1.00 1.00 C HETATM 1681 CBD HEM A 251 3.450 13.360 6.668 1.00 1.00 C HETATM 1682 CGD HEM A 251 2.308 14.302 7.019 1.00 1.00 C HETATM 1683 O1D HEM A 251 2.606 15.493 7.250 1.00 1.00 O HETATM 1684 O2D HEM A 251 1.158 13.812 7.051 1.00 1.00 O HETATM 1685 NA HEM A 251 1.469 8.269 3.755 1.00 1.00 N HETATM 1686 NB HEM A 251 -1.027 7.571 2.561 1.00 1.00 N HETATM 1687 NC HEM A 251 -1.835 10.313 2.701 1.00 1.00 N HETATM 1688 ND HEM A 251 0.682 11.003 3.828 1.00 1.00 N HETATM 1689 FE HEM A 251 -0.167 9.234 3.151 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 4.690 5.260 4.006 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 3.197 4.622 3.277 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 3.361 4.698 5.047 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 -0.230 3.613 2.101 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 -1.904 3.365 1.549 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 -1.541 3.423 3.290 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 -5.929 11.491 1.543 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 -5.675 9.730 1.504 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 -5.177 10.732 0.120 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 0.248 15.023 3.426 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 1.874 15.244 4.114 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 0.476 15.016 5.191 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 -5.402 3.802 2.157 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 -3.874 3.946 3.256 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 -5.781 14.552 2.492 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 -5.840 12.712 2.909 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 5.305 9.260 3.498 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.667 8.226 3.879 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 5.423 6.935 5.247 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 4.839 8.327 6.138 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 4.395 13.790 7.000 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 3.325 12.417 7.200 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 3.756 14.027 4.653 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 4.308 12.392 4.958 1.00 1.00 H new HETATM 0 HHA HEM A 251 3.766 10.363 5.149 1.00 1.00 H new HETATM 0 HHB HEM A 251 1.120 4.961 2.969 1.00 1.00 H new HETATM 0 HHC HEM A 251 -4.211 8.160 1.468 1.00 1.00 H new HETATM 0 HHD HEM A 251 -1.369 13.658 3.230 1.00 1.00 H new HETATM 0 HAB HEM A 251 -4.474 5.798 0.655 1.00 1.00 H new HETATM 0 HAC HEM A 251 -3.257 14.259 1.691 1.00 1.00 H new HETATM 1690 CHA HEM A 282 -0.533 -9.830 1.291 1.00 1.00 C HETATM 1691 CHB HEM A 282 -0.713 -5.539 -1.008 1.00 1.00 C HETATM 1692 CHC HEM A 282 0.119 -3.237 3.203 1.00 1.00 C HETATM 1693 CHD HEM A 282 0.389 -7.561 5.501 1.00 1.00 C HETATM 1694 C1A HEM A 282 -0.697 -8.851 0.317 1.00 1.00 C HETATM 1695 C2A HEM A 282 -1.098 -9.118 -1.044 1.00 1.00 C HETATM 1696 C3A HEM A 282 -1.149 -7.931 -1.684 1.00 1.00 C HETATM 1697 C4A HEM A 282 -0.780 -6.916 -0.726 1.00 1.00 C HETATM 1698 CMA HEM A 282 -1.514 -7.668 -3.116 1.00 1.00 C HETATM 1699 CAA HEM A 282 -1.393 -10.481 -1.600 1.00 1.00 C HETATM 1700 CBA HEM A 282 -2.729 -10.576 -2.332 1.00 1.00 C HETATM 1701 CGA HEM A 282 -3.533 -11.776 -1.851 1.00 1.00 C HETATM 1702 O1A HEM A 282 -4.778 -11.667 -1.864 1.00 1.00 O HETATM 1703 O2A HEM A 282 -2.887 -12.780 -1.480 1.00 1.00 O HETATM 1704 C1B HEM A 282 -0.504 -4.548 -0.054 1.00 1.00 C HETATM 1705 C2B HEM A 282 -0.493 -3.134 -0.343 1.00 1.00 C HETATM 1706 C3B HEM A 282 -0.262 -2.493 0.822 1.00 1.00 C HETATM 1707 C4B HEM A 282 -0.129 -3.504 1.844 1.00 1.00 C HETATM 1708 CMB HEM A 282 -0.703 -2.533 -1.702 1.00 1.00 C HETATM 1709 CAB HEM A 282 -0.157 -1.014 1.058 1.00 1.00 C HETATM 1710 CBB HEM A 282 -0.981 -0.170 0.090 1.00 1.00 C HETATM 1711 C1C HEM A 282 0.430 -4.245 4.189 1.00 1.00 C HETATM 1712 C2C HEM A 282 0.848 -3.991 5.547 1.00 1.00 C HETATM 1713 C3C HEM A 282 0.880 -5.181 6.182 1.00 1.00 C HETATM 1714 C4C HEM A 282 0.482 -6.185 5.223 1.00 1.00 C HETATM 1715 CMC HEM A 282 1.175 -2.636 6.106 1.00 1.00 C HETATM 1716 CAC HEM A 282 1.252 -5.457 7.610 1.00 1.00 C HETATM 1717 CBC HEM A 282 1.038 -4.272 8.547 1.00 1.00 C HETATM 1718 C1D HEM A 282 0.110 -8.539 4.552 1.00 1.00 C HETATM 1719 C2D HEM A 282 -0.062 -9.940 4.858 1.00 1.00 C HETATM 1720 C3D HEM A 282 -0.318 -10.572 3.693 1.00 1.00 C HETATM 1721 C4D HEM A 282 -0.307 -9.569 2.654 1.00 1.00 C HETATM 1722 CMD HEM A 282 0.034 -10.538 6.231 1.00 1.00 C HETATM 1723 CAD HEM A 282 -0.572 -12.035 3.471 1.00 1.00 C HETATM 1724 CBD HEM A 282 -2.050 -12.414 3.464 1.00 1.00 C HETATM 1725 CGD HEM A 282 -2.554 -12.680 4.875 1.00 1.00 C HETATM 1726 O1D HEM A 282 -2.378 -13.830 5.333 1.00 1.00 O HETATM 1727 O2D HEM A 282 -3.107 -11.730 5.469 1.00 1.00 O HETATM 1728 NA HEM A 282 -0.504 -7.492 0.502 1.00 1.00 N HETATM 1729 NB HEM A 282 -0.279 -4.765 1.294 1.00 1.00 N HETATM 1730 NC HEM A 282 0.207 -5.598 4.000 1.00 1.00 N HETATM 1731 ND HEM A 282 -0.042 -8.322 3.194 1.00 1.00 N HETATM 1732 FE HEM A 282 -0.098 -6.458 2.350 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -1.236 -8.527 -3.726 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -0.983 -6.784 -3.470 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -2.588 -7.501 -3.193 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -0.344 -3.224 -2.465 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.153 -1.595 -1.774 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -1.765 -2.343 -1.856 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 1.566 -2.000 5.312 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 1.924 -2.737 6.891 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 0.273 -2.186 6.521 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 0.730 -9.955 6.834 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 0.392 -11.565 6.156 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -0.949 -10.530 6.701 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 -0.976 0.917 0.174 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 -1.575 -0.654 -0.685 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 1.276 -4.365 9.607 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 0.647 -3.332 8.157 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -2.554 -10.658 -3.405 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -3.301 -9.663 -2.171 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -1.385 -11.205 -0.785 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -0.594 -10.764 -2.285 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -2.198 -13.301 2.848 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -2.632 -11.611 3.012 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -0.065 -12.604 4.251 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -0.127 -12.330 2.521 1.00 1.00 H new HETATM 0 HHA HEM A 282 -0.583 -10.863 0.979 1.00 1.00 H new HETATM 0 HHB HEM A 282 -0.832 -5.230 -2.036 1.00 1.00 H new HETATM 0 HHC HEM A 282 0.074 -2.209 3.531 1.00 1.00 H new HETATM 0 HHD HEM A 282 0.545 -7.880 6.521 1.00 1.00 H new HETATM 0 HAB HEM A 282 0.454 -0.582 1.851 1.00 1.00 H new HETATM 0 HAC HEM A 282 1.640 -6.418 7.947 1.00 1.00 H new HETATM 1733 CHA HEM A 305 4.306 0.846 -9.376 1.00 1.00 C HETATM 1734 CHB HEM A 305 8.604 -1.443 -9.479 1.00 1.00 C HETATM 1735 CHC HEM A 305 7.243 -4.204 -5.705 1.00 1.00 C HETATM 1736 CHD HEM A 305 2.915 -1.933 -5.626 1.00 1.00 C HETATM 1737 C1A HEM A 305 5.597 0.459 -9.720 1.00 1.00 C HETATM 1738 C2A HEM A 305 6.366 1.055 -10.787 1.00 1.00 C HETATM 1739 C3A HEM A 305 7.558 0.423 -10.818 1.00 1.00 C HETATM 1740 C4A HEM A 305 7.539 -0.571 -9.771 1.00 1.00 C HETATM 1741 CMA HEM A 305 8.712 0.671 -11.746 1.00 1.00 C HETATM 1742 CAA HEM A 305 5.887 2.170 -11.672 1.00 1.00 C HETATM 1743 CBA HEM A 305 6.430 3.543 -11.288 1.00 1.00 C HETATM 1744 CGA HEM A 305 7.203 4.168 -12.441 1.00 1.00 C HETATM 1745 O1A HEM A 305 6.620 5.055 -13.100 1.00 1.00 O HETATM 1746 O2A HEM A 305 8.363 3.747 -12.641 1.00 1.00 O HETATM 1747 C1B HEM A 305 8.615 -2.349 -8.424 1.00 1.00 C HETATM 1748 C2B HEM A 305 9.777 -3.100 -8.012 1.00 1.00 C HETATM 1749 C3B HEM A 305 9.403 -3.867 -6.965 1.00 1.00 C HETATM 1750 C4B HEM A 305 8.006 -3.598 -6.720 1.00 1.00 C HETATM 1751 CMB HEM A 305 11.130 -3.012 -8.656 1.00 1.00 C HETATM 1752 CAB HEM A 305 10.244 -4.829 -6.177 1.00 1.00 C HETATM 1753 CBB HEM A 305 11.203 -4.157 -5.199 1.00 1.00 C HETATM 1754 C1C HEM A 305 5.820 -3.999 -5.508 1.00 1.00 C HETATM 1755 C2C HEM A 305 4.934 -4.748 -4.648 1.00 1.00 C HETATM 1756 C3C HEM A 305 3.767 -4.073 -4.595 1.00 1.00 C HETATM 1757 C4C HEM A 305 3.918 -2.898 -5.421 1.00 1.00 C HETATM 1758 CMC HEM A 305 5.289 -6.036 -3.962 1.00 1.00 C HETATM 1759 CAC HEM A 305 2.523 -4.435 -3.836 1.00 1.00 C HETATM 1760 CBC HEM A 305 2.735 -5.511 -2.775 1.00 1.00 C HETATM 1761 C1D HEM A 305 2.927 -0.988 -6.647 1.00 1.00 C HETATM 1762 C2D HEM A 305 1.815 -0.124 -6.965 1.00 1.00 C HETATM 1763 C3D HEM A 305 2.197 0.648 -8.005 1.00 1.00 C HETATM 1764 C4D HEM A 305 3.549 0.269 -8.340 1.00 1.00 C HETATM 1765 CMD HEM A 305 0.497 -0.119 -6.246 1.00 1.00 C HETATM 1766 CAD HEM A 305 1.403 1.709 -8.709 1.00 1.00 C HETATM 1767 CBD HEM A 305 1.398 3.057 -7.995 1.00 1.00 C HETATM 1768 CGD HEM A 305 2.181 4.098 -8.783 1.00 1.00 C HETATM 1769 O1D HEM A 305 3.298 3.753 -9.224 1.00 1.00 O HETATM 1770 O2D HEM A 305 1.646 5.218 -8.930 1.00 1.00 O HETATM 1771 NA HEM A 305 6.328 -0.540 -9.102 1.00 1.00 N HETATM 1772 NB HEM A 305 7.531 -2.663 -7.623 1.00 1.00 N HETATM 1773 NC HEM A 305 5.185 -2.862 -5.978 1.00 1.00 N HETATM 1774 ND HEM A 305 3.989 -0.738 -7.499 1.00 1.00 N HETATM 1775 FE HEM A 305 5.716 -1.689 -7.618 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 8.337 1.031 -12.704 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 9.263 -0.257 -11.898 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 9.375 1.419 -11.311 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 11.901 -3.214 -7.912 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 11.274 -2.012 -9.065 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 11.199 -3.746 -9.459 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 6.016 -6.581 -4.565 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 4.392 -6.642 -3.840 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 5.718 -5.821 -2.983 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.288 -1.118 -5.863 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 -0.293 0.177 -6.936 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 0.538 0.587 -5.417 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 11.860 -4.764 -4.576 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 11.231 -3.070 -5.123 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 1.896 -5.848 -2.166 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 3.725 -5.942 -2.626 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 7.080 3.450 -10.418 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 5.606 4.197 -11.002 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 4.798 2.200 -11.644 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 6.173 1.952 -12.701 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 1.832 2.947 -7.001 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 0.371 3.396 -7.859 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 0.375 1.365 -8.821 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 1.805 1.843 -9.713 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.853 1.645 -9.944 1.00 1.00 H new HETATM 0 HHB HEM A 305 9.473 -1.406 -10.119 1.00 1.00 H new HETATM 0 HHC HEM A 305 7.753 -4.869 -5.024 1.00 1.00 H new HETATM 0 HHD HEM A 305 2.078 -1.925 -4.944 1.00 1.00 H new HETATM 0 HAB HEM A 305 10.176 -5.911 -6.293 1.00 1.00 H new HETATM 0 HAC HEM A 305 1.555 -3.971 -4.026 1.00 1.00 H new