USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=31 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 Single : A 1 ALA N :NH3+ -106:sc= 0.127 (180deg=0) 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 180:sc= -0.294 USER MOD Single : A 15 GLN : amide:sc= -0.993 X(o=-0.99,f=-0.73) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -120:sc= -2.03 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 109:sc= -1.09 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.781 (180deg=-1.12) USER MOD Single : A 63 SER OG : rot 107:sc= 0.101 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 : no HE2:sc= -6.77! C(o=-6.8!,f=-4.6!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0509 USER MOD Single : A 78 SER OG : rot 141:sc= -4.21! 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 70:sc= 1.16 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -146:sc= 0.475 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 HEM CMA :methyl -30:sc= -0.0624 (180deg=-1.69!) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -4.07! (180deg=-7.76!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -1.9! (180deg=-4.16!) USER MOD Single : A 233 HEM CMD :methyl -30:sc= -0.436 (180deg=-0.453) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.907 (180deg=-0.907) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -1.06 (180deg=-3.03!) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -4.75! (180deg=-4.75!) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -0.162 (180deg=-0.349) USER MOD Single : A 282 HEM CMA :methyl -30:sc= -0.269 (180deg=-0.444) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.65 (180deg=-4.04!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -6.67! (180deg=-8.62!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.12 (180deg=-0.12) USER MOD Single : A 305 HEM CMA :methyl -30:sc= -0.264 (180deg=-0.33) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.0705 (180deg=-0.0705) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -8.56! (180deg=-9.45!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.246 (180deg=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.775 15.674 -11.532 1.00 1.00 N ATOM 2 CA ALA A 1 3.257 14.377 -11.090 1.00 1.00 C ATOM 3 C ALA A 1 3.610 13.525 -12.311 1.00 1.00 C ATOM 4 O ALA A 1 3.434 13.926 -13.459 1.00 1.00 O ATOM 5 CB ALA A 1 2.201 13.715 -10.202 1.00 1.00 C ATOM 0 H1 ALA A 1 3.506 16.393 -11.359 1.00 1.00 H new ATOM 0 H2 ALA A 1 2.560 15.636 -12.549 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.914 15.922 -11.005 1.00 1.00 H new ATOM 0 HA ALA A 1 4.162 14.487 -10.493 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.563 12.742 -9.870 1.00 1.00 H new ATOM 0 HB2 ALA A 1 2.008 14.346 -9.334 1.00 1.00 H new ATOM 0 HB3 ALA A 1 1.279 13.586 -10.768 1.00 1.00 H new ATOM 11 N PRO A 2 4.118 12.322 -12.032 1.00 1.00 N ATOM 12 CA PRO A 2 4.518 11.354 -13.030 1.00 1.00 C ATOM 13 C PRO A 2 3.282 10.722 -13.653 1.00 1.00 C ATOM 14 O PRO A 2 2.266 10.604 -12.970 1.00 1.00 O ATOM 15 CB PRO A 2 5.336 10.317 -12.264 1.00 1.00 C ATOM 16 CG PRO A 2 5.561 10.913 -10.809 1.00 1.00 C ATOM 17 CD PRO A 2 4.337 11.818 -10.693 1.00 1.00 C ATOM 0 HA PRO A 2 5.093 11.796 -13.843 1.00 1.00 H new ATOM 0 HB2 PRO A 2 4.809 9.364 -12.217 1.00 1.00 H new ATOM 0 HB3 PRO A 2 6.289 10.130 -12.759 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.580 10.139 -10.041 1.00 1.00 H new ATOM 0 HG3 PRO A 2 6.496 11.467 -10.727 1.00 1.00 H new ATOM 0 HD2 PRO A 2 3.470 11.265 -10.332 1.00 1.00 H new ATOM 0 HD3 PRO A 2 4.512 12.631 -9.989 1.00 1.00 H new ATOM 25 N ALA A 3 3.385 10.336 -14.917 1.00 1.00 N ATOM 26 CA ALA A 3 2.262 9.723 -15.606 1.00 1.00 C ATOM 27 C ALA A 3 1.929 8.386 -14.940 1.00 1.00 C ATOM 28 O ALA A 3 2.780 7.502 -14.855 1.00 1.00 O ATOM 29 CB ALA A 3 2.598 9.567 -17.090 1.00 1.00 C ATOM 0 H ALA A 3 4.229 10.436 -15.481 1.00 1.00 H new ATOM 0 HA ALA A 3 1.377 10.355 -15.536 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.756 9.107 -17.607 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.798 10.547 -17.523 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.480 8.935 -17.199 1.00 1.00 H new ATOM 35 N VAL A 4 0.689 8.281 -14.486 1.00 1.00 N ATOM 36 CA VAL A 4 0.233 7.067 -13.830 1.00 1.00 C ATOM 37 C VAL A 4 0.388 5.885 -14.789 1.00 1.00 C ATOM 38 O VAL A 4 -0.162 5.860 -15.888 1.00 1.00 O ATOM 39 CB VAL A 4 -1.203 7.249 -13.333 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.190 7.264 -14.501 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.572 6.166 -12.316 1.00 1.00 C ATOM 0 H VAL A 4 -0.014 9.016 -14.559 1.00 1.00 H new ATOM 0 HA VAL A 4 0.843 6.855 -12.952 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.264 8.215 -12.831 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.203 7.395 -14.120 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.946 8.087 -15.173 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.125 6.321 -15.044 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.597 6.318 -11.978 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.485 5.184 -12.782 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.897 6.223 -11.462 1.00 1.00 H new ATOM 51 N PRO A 5 1.161 4.893 -14.342 1.00 1.00 N ATOM 52 CA PRO A 5 1.443 3.682 -15.081 1.00 1.00 C ATOM 53 C PRO A 5 0.228 2.766 -15.044 1.00 1.00 C ATOM 54 O PRO A 5 -0.250 2.457 -13.953 1.00 1.00 O ATOM 55 CB PRO A 5 2.629 3.048 -14.357 1.00 1.00 C ATOM 56 CG PRO A 5 2.508 3.528 -12.968 1.00 1.00 C ATOM 57 CD PRO A 5 1.823 4.890 -13.055 1.00 1.00 C ATOM 0 HA PRO A 5 1.668 3.869 -16.131 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.590 1.960 -14.407 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.576 3.353 -14.802 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.923 2.834 -12.364 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.487 3.613 -12.497 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.109 5.025 -12.243 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.547 5.702 -12.981 1.00 1.00 H new ATOM 65 N ASP A 6 -0.244 2.357 -16.212 1.00 1.00 N ATOM 66 CA ASP A 6 -1.401 1.482 -16.287 1.00 1.00 C ATOM 67 C ASP A 6 -0.941 0.025 -16.202 1.00 1.00 C ATOM 68 O ASP A 6 -1.719 -0.892 -16.459 1.00 1.00 O ATOM 69 CB ASP A 6 -2.146 1.665 -17.611 1.00 1.00 C ATOM 70 CG ASP A 6 -1.468 1.031 -18.827 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.257 1.192 -19.040 1.00 1.00 O ATOM 72 OD2 ASP A 6 -2.247 0.337 -19.586 1.00 1.00 O ATOM 0 H ASP A 6 0.154 2.616 -17.115 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.066 1.733 -15.461 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.146 1.242 -17.510 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.269 2.732 -17.797 1.00 1.00 H new ATOM 78 N LYS A 7 0.323 -0.142 -15.839 1.00 1.00 N ATOM 79 CA LYS A 7 0.896 -1.471 -15.716 1.00 1.00 C ATOM 80 C LYS A 7 1.293 -1.718 -14.259 1.00 1.00 C ATOM 81 O LYS A 7 2.419 -1.464 -13.837 1.00 1.00 O ATOM 82 CB LYS A 7 2.049 -1.651 -16.706 1.00 1.00 C ATOM 83 CG LYS A 7 2.932 -0.403 -16.752 1.00 1.00 C ATOM 84 CD LYS A 7 4.399 -0.777 -16.971 1.00 1.00 C ATOM 85 CE LYS A 7 5.279 0.473 -17.044 1.00 1.00 C ATOM 86 NZ LYS A 7 6.305 0.324 -18.101 1.00 1.00 N ATOM 0 H LYS A 7 0.966 0.621 -15.626 1.00 1.00 H new ATOM 0 HA LYS A 7 0.159 -2.229 -15.979 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.649 -2.515 -16.418 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.651 -1.856 -17.700 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.597 0.254 -17.554 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.830 0.153 -15.820 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.740 -1.419 -16.158 1.00 1.00 H new ATOM 0 HD3 LYS A 7 4.498 -1.350 -17.893 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.662 1.348 -17.249 1.00 1.00 H new ATOM 0 HE3 LYS A 7 5.762 0.642 -16.081 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 6.893 1.181 -18.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 6.905 -0.499 -17.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 5.839 0.185 -19.020 1.00 1.00 H new ATOM 99 N PRO A 8 0.328 -2.227 -13.490 1.00 1.00 N ATOM 100 CA PRO A 8 0.483 -2.540 -12.086 1.00 1.00 C ATOM 101 C PRO A 8 1.841 -3.187 -11.854 1.00 1.00 C ATOM 102 O PRO A 8 2.288 -3.952 -12.708 1.00 1.00 O ATOM 103 CB PRO A 8 -0.649 -3.517 -11.774 1.00 1.00 C ATOM 104 CG PRO A 8 -1.789 -2.895 -12.691 1.00 1.00 C ATOM 105 CD PRO A 8 -1.007 -2.538 -13.953 1.00 1.00 C ATOM 0 HA PRO A 8 0.437 -1.658 -11.448 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.404 -4.543 -12.047 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -0.918 -3.524 -10.718 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.588 -3.609 -12.892 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.251 -2.020 -12.234 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.997 -3.368 -14.659 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.455 -1.688 -14.467 1.00 1.00 H new ATOM 113 N VAL A 9 2.463 -2.875 -10.727 1.00 1.00 N ATOM 114 CA VAL A 9 3.765 -3.437 -10.410 1.00 1.00 C ATOM 115 C VAL A 9 3.622 -4.421 -9.247 1.00 1.00 C ATOM 116 O VAL A 9 2.775 -4.237 -8.375 1.00 1.00 O ATOM 117 CB VAL A 9 4.765 -2.314 -10.125 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.555 -1.950 -11.383 1.00 1.00 C ATOM 119 CG2 VAL A 9 4.058 -1.086 -9.546 1.00 1.00 C ATOM 0 H VAL A 9 2.089 -2.240 -10.022 1.00 1.00 H new ATOM 0 HA VAL A 9 4.157 -3.995 -11.260 1.00 1.00 H new ATOM 0 HB VAL A 9 5.473 -2.676 -9.380 1.00 1.00 H new ATOM 0 HG11 VAL A 9 6.258 -1.150 -11.152 1.00 1.00 H new ATOM 0 HG12 VAL A 9 6.103 -2.824 -11.734 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.868 -1.616 -12.160 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.790 -0.302 -9.352 1.00 1.00 H new ATOM 0 HG22 VAL A 9 3.318 -0.723 -10.259 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.562 -1.357 -8.614 1.00 1.00 H new ATOM 129 N GLU A 10 4.464 -5.443 -9.272 1.00 1.00 N ATOM 130 CA GLU A 10 4.443 -6.456 -8.231 1.00 1.00 C ATOM 131 C GLU A 10 5.232 -5.979 -7.010 1.00 1.00 C ATOM 132 O GLU A 10 6.260 -5.319 -7.150 1.00 1.00 O ATOM 133 CB GLU A 10 4.988 -7.788 -8.750 1.00 1.00 C ATOM 134 CG GLU A 10 6.461 -7.662 -9.143 1.00 1.00 C ATOM 135 CD GLU A 10 6.604 -7.327 -10.629 1.00 1.00 C ATOM 136 OE1 GLU A 10 6.883 -6.171 -10.980 1.00 1.00 O ATOM 137 OE2 GLU A 10 6.416 -8.319 -11.432 1.00 1.00 O ATOM 0 H GLU A 10 5.166 -5.591 -9.997 1.00 1.00 H new ATOM 0 HA GLU A 10 3.408 -6.618 -7.930 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.877 -8.554 -7.983 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.405 -8.113 -9.612 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.936 -6.885 -8.544 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.981 -8.595 -8.925 1.00 1.00 H new ATOM 145 N VAL A 11 4.721 -6.332 -5.839 1.00 1.00 N ATOM 146 CA VAL A 11 5.365 -5.949 -4.595 1.00 1.00 C ATOM 147 C VAL A 11 5.805 -7.207 -3.844 1.00 1.00 C ATOM 148 O VAL A 11 5.215 -7.565 -2.826 1.00 1.00 O ATOM 149 CB VAL A 11 4.429 -5.059 -3.774 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.158 -4.461 -2.569 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.814 -3.960 -4.643 1.00 1.00 C ATOM 0 H VAL A 11 3.868 -6.879 -5.726 1.00 1.00 H new ATOM 0 HA VAL A 11 6.260 -5.360 -4.794 1.00 1.00 H new ATOM 0 HB VAL A 11 3.618 -5.683 -3.399 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.470 -3.833 -2.003 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.525 -5.264 -1.930 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.999 -3.859 -2.914 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.153 -3.342 -4.035 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.607 -3.340 -5.061 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.243 -4.414 -5.453 1.00 1.00 H new ATOM 161 N LYS A 12 6.838 -7.843 -4.376 1.00 1.00 N ATOM 162 CA LYS A 12 7.364 -9.054 -3.769 1.00 1.00 C ATOM 163 C LYS A 12 7.813 -8.749 -2.338 1.00 1.00 C ATOM 164 O LYS A 12 8.930 -8.280 -2.121 1.00 1.00 O ATOM 165 CB LYS A 12 8.465 -9.658 -4.643 1.00 1.00 C ATOM 166 CG LYS A 12 8.107 -9.551 -6.127 1.00 1.00 C ATOM 167 CD LYS A 12 8.543 -10.805 -6.888 1.00 1.00 C ATOM 168 CE LYS A 12 9.229 -10.436 -8.205 1.00 1.00 C ATOM 169 NZ LYS A 12 9.192 -11.578 -9.146 1.00 1.00 N ATOM 0 H LYS A 12 7.325 -7.543 -5.221 1.00 1.00 H new ATOM 0 HA LYS A 12 6.587 -9.816 -3.705 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.407 -9.144 -4.454 1.00 1.00 H new ATOM 0 HB3 LYS A 12 8.614 -10.704 -4.376 1.00 1.00 H new ATOM 0 HG2 LYS A 12 7.032 -9.411 -6.236 1.00 1.00 H new ATOM 0 HG3 LYS A 12 8.588 -8.674 -6.559 1.00 1.00 H new ATOM 0 HD2 LYS A 12 9.224 -11.391 -6.271 1.00 1.00 H new ATOM 0 HD3 LYS A 12 7.675 -11.433 -7.089 1.00 1.00 H new ATOM 0 HE2 LYS A 12 8.734 -9.574 -8.651 1.00 1.00 H new ATOM 0 HE3 LYS A 12 10.263 -10.147 -8.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 9.662 -11.311 -10.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 9.685 -12.391 -8.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 8.203 -11.835 -9.341 1.00 1.00 H new ATOM 182 N GLY A 13 6.921 -9.028 -1.400 1.00 1.00 N ATOM 183 CA GLY A 13 7.212 -8.789 0.004 1.00 1.00 C ATOM 184 C GLY A 13 8.215 -9.813 0.538 1.00 1.00 C ATOM 185 O GLY A 13 9.099 -10.260 -0.191 1.00 1.00 O ATOM 0 H GLY A 13 5.996 -9.417 -1.584 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.612 -7.783 0.130 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.291 -8.841 0.584 1.00 1.00 H new ATOM 189 N SER A 14 8.045 -10.154 1.807 1.00 1.00 N ATOM 190 CA SER A 14 8.925 -11.117 2.447 1.00 1.00 C ATOM 191 C SER A 14 8.918 -12.432 1.666 1.00 1.00 C ATOM 192 O SER A 14 9.936 -12.827 1.099 1.00 1.00 O ATOM 193 CB SER A 14 8.510 -11.360 3.900 1.00 1.00 C ATOM 194 OG SER A 14 8.410 -12.750 4.201 1.00 1.00 O ATOM 0 H SER A 14 7.311 -9.781 2.409 1.00 1.00 H new ATOM 0 HA SER A 14 9.936 -10.709 2.449 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.236 -10.896 4.567 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.551 -10.878 4.089 1.00 1.00 H new ATOM 0 HG SER A 14 8.145 -12.864 5.138 1.00 1.00 H new ATOM 200 N GLN A 15 7.759 -13.075 1.661 1.00 1.00 N ATOM 201 CA GLN A 15 7.607 -14.338 0.959 1.00 1.00 C ATOM 202 C GLN A 15 6.222 -14.422 0.314 1.00 1.00 C ATOM 203 O GLN A 15 5.559 -15.456 0.392 1.00 1.00 O ATOM 204 CB GLN A 15 7.847 -15.521 1.898 1.00 1.00 C ATOM 205 CG GLN A 15 8.162 -16.793 1.109 1.00 1.00 C ATOM 206 CD GLN A 15 7.006 -17.792 1.197 1.00 1.00 C ATOM 207 OE1 GLN A 15 6.515 -18.301 0.203 1.00 1.00 O ATOM 208 NE2 GLN A 15 6.602 -18.044 2.438 1.00 1.00 N ATOM 0 H GLN A 15 6.917 -12.745 2.132 1.00 1.00 H new ATOM 0 HA GLN A 15 8.358 -14.386 0.171 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.673 -15.293 2.572 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.965 -15.682 2.518 1.00 1.00 H new ATOM 0 HG2 GLN A 15 8.351 -16.541 0.066 1.00 1.00 H new ATOM 0 HG3 GLN A 15 9.073 -17.250 1.497 1.00 1.00 H new ATOM 0 HE21 GLN A 15 7.057 -17.583 3.226 1.00 1.00 H new ATOM 0 HE22 GLN A 15 5.837 -18.698 2.602 1.00 1.00 H new ATOM 217 N LYS A 16 5.825 -13.322 -0.308 1.00 1.00 N ATOM 218 CA LYS A 16 4.531 -13.259 -0.965 1.00 1.00 C ATOM 219 C LYS A 16 4.543 -12.130 -1.998 1.00 1.00 C ATOM 220 O LYS A 16 4.980 -11.018 -1.702 1.00 1.00 O ATOM 221 CB LYS A 16 3.410 -13.135 0.069 1.00 1.00 C ATOM 222 CG LYS A 16 2.122 -13.786 -0.439 1.00 1.00 C ATOM 223 CD LYS A 16 1.778 -15.032 0.379 1.00 1.00 C ATOM 224 CE LYS A 16 0.270 -15.129 0.623 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.255 -16.418 0.119 1.00 1.00 N ATOM 0 H LYS A 16 6.377 -12.467 -0.371 1.00 1.00 H new ATOM 0 HA LYS A 16 4.333 -14.184 -1.506 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.717 -13.607 1.002 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.228 -12.083 0.289 1.00 1.00 H new ATOM 0 HG2 LYS A 16 1.302 -13.071 -0.381 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.236 -14.056 -1.489 1.00 1.00 H new ATOM 0 HD2 LYS A 16 2.123 -15.923 -0.146 1.00 1.00 H new ATOM 0 HD3 LYS A 16 2.303 -15.001 1.334 1.00 1.00 H new ATOM 0 HE2 LYS A 16 0.061 -15.036 1.689 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.239 -14.303 0.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.279 -16.467 0.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.073 -16.492 -0.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 0.218 -17.202 0.612 1.00 1.00 H new ATOM 238 N THR A 17 4.057 -12.453 -3.187 1.00 1.00 N ATOM 239 CA THR A 17 4.006 -11.480 -4.265 1.00 1.00 C ATOM 240 C THR A 17 2.612 -10.854 -4.353 1.00 1.00 C ATOM 241 O THR A 17 1.622 -11.560 -4.542 1.00 1.00 O ATOM 242 CB THR A 17 4.441 -12.179 -5.554 1.00 1.00 C ATOM 243 OG1 THR A 17 5.800 -12.534 -5.315 1.00 1.00 O ATOM 244 CG2 THR A 17 4.511 -11.220 -6.745 1.00 1.00 C ATOM 0 H THR A 17 3.695 -13.376 -3.428 1.00 1.00 H new ATOM 0 HA THR A 17 4.689 -10.651 -4.082 1.00 1.00 H new ATOM 0 HB THR A 17 3.747 -12.989 -5.780 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.161 -12.995 -6.101 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.824 -11.767 -7.634 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.528 -10.781 -6.917 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.230 -10.429 -6.533 1.00 1.00 H new ATOM 252 N VAL A 18 2.579 -9.538 -4.212 1.00 1.00 N ATOM 253 CA VAL A 18 1.324 -8.809 -4.273 1.00 1.00 C ATOM 254 C VAL A 18 1.446 -7.675 -5.293 1.00 1.00 C ATOM 255 O VAL A 18 2.362 -6.858 -5.211 1.00 1.00 O ATOM 256 CB VAL A 18 0.934 -8.319 -2.877 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.424 -7.615 -2.903 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.937 -9.471 -1.871 1.00 1.00 C ATOM 0 H VAL A 18 3.402 -8.957 -4.055 1.00 1.00 H new ATOM 0 HA VAL A 18 0.519 -9.463 -4.609 1.00 1.00 H new ATOM 0 HB VAL A 18 1.681 -7.593 -2.555 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.678 -7.277 -1.898 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.376 -6.757 -3.574 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.187 -8.309 -3.255 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.656 -9.095 -0.887 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.223 -10.231 -2.186 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.934 -9.908 -1.822 1.00 1.00 H new ATOM 268 N MET A 19 0.510 -7.662 -6.231 1.00 1.00 N ATOM 269 CA MET A 19 0.502 -6.642 -7.265 1.00 1.00 C ATOM 270 C MET A 19 -0.567 -5.584 -6.984 1.00 1.00 C ATOM 271 O MET A 19 -1.704 -5.918 -6.651 1.00 1.00 O ATOM 272 CB MET A 19 0.231 -7.293 -8.623 1.00 1.00 C ATOM 273 CG MET A 19 -1.189 -7.861 -8.685 1.00 1.00 C ATOM 274 SD MET A 19 -1.182 -9.431 -9.534 1.00 1.00 S ATOM 275 CE MET A 19 -1.006 -10.535 -8.142 1.00 1.00 C ATOM 0 H MET A 19 -0.248 -8.342 -6.296 1.00 1.00 H new ATOM 0 HA MET A 19 1.476 -6.154 -7.274 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.368 -6.558 -9.416 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.953 -8.090 -8.799 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.584 -7.985 -7.677 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.847 -7.162 -9.201 1.00 1.00 H new ATOM 0 HE1 MET A 19 -0.984 -11.566 -8.496 1.00 1.00 H new ATOM 0 HE2 MET A 19 -0.078 -10.312 -7.616 1.00 1.00 H new ATOM 0 HE3 MET A 19 -1.849 -10.402 -7.464 1.00 1.00 H new ATOM 285 N PHE A 20 -0.166 -4.330 -7.128 1.00 1.00 N ATOM 286 CA PHE A 20 -1.076 -3.221 -6.893 1.00 1.00 C ATOM 287 C PHE A 20 -1.379 -2.476 -8.194 1.00 1.00 C ATOM 288 O PHE A 20 -0.488 -2.018 -8.907 1.00 1.00 O ATOM 289 CB PHE A 20 -0.376 -2.266 -5.923 1.00 1.00 C ATOM 290 CG PHE A 20 -0.964 -0.854 -5.909 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.051 -0.577 -5.140 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.399 0.125 -6.666 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.596 0.734 -5.127 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.944 1.436 -6.652 1.00 1.00 C ATOM 295 CZ PHE A 20 -2.031 1.713 -5.883 1.00 1.00 C ATOM 0 H PHE A 20 0.777 -4.057 -7.405 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.018 -3.592 -6.490 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.431 -2.682 -4.917 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.680 -2.206 -6.186 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.500 -1.354 -4.539 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.464 -0.095 -7.277 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.459 0.954 -4.517 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.495 2.214 -7.252 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.445 2.710 -5.873 1.00 1.00 H new ATOM 305 N PRO A 21 -2.675 -2.364 -8.492 1.00 1.00 N ATOM 306 CA PRO A 21 -3.188 -1.699 -9.670 1.00 1.00 C ATOM 307 C PRO A 21 -3.372 -0.216 -9.379 1.00 1.00 C ATOM 308 O PRO A 21 -3.843 0.129 -8.298 1.00 1.00 O ATOM 309 CB PRO A 21 -4.530 -2.373 -9.948 1.00 1.00 C ATOM 310 CG PRO A 21 -5.023 -2.591 -8.461 1.00 1.00 C ATOM 311 CD PRO A 21 -3.749 -2.891 -7.677 1.00 1.00 C ATOM 0 HA PRO A 21 -2.517 -1.775 -10.526 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.205 -1.741 -10.525 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.423 -3.309 -10.496 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.527 -1.704 -8.076 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.733 -3.415 -8.395 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.769 -2.417 -6.696 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.630 -3.962 -7.512 1.00 1.00 H new ATOM 319 N HIS A 22 -3.001 0.632 -10.339 1.00 1.00 N ATOM 320 CA HIS A 22 -3.116 2.080 -10.204 1.00 1.00 C ATOM 321 C HIS A 22 -4.510 2.537 -10.670 1.00 1.00 C ATOM 322 O HIS A 22 -5.054 3.503 -10.137 1.00 1.00 O ATOM 323 CB HIS A 22 -1.951 2.743 -10.953 1.00 1.00 C ATOM 324 CG HIS A 22 -0.710 3.049 -10.146 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.426 2.358 -10.282 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.466 4.001 -9.185 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.342 2.859 -9.439 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.843 3.876 -8.737 1.00 1.00 N ATOM 0 H HIS A 22 -2.612 0.331 -11.233 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.036 2.391 -9.162 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.666 2.094 -11.782 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.313 3.675 -11.387 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.573 1.577 -10.922 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.180 4.731 -8.833 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.351 2.487 -9.342 1.00 1.00 H new ATOM 336 N ALA A 23 -5.042 1.823 -11.651 1.00 1.00 N ATOM 337 CA ALA A 23 -6.354 2.146 -12.186 1.00 1.00 C ATOM 338 C ALA A 23 -7.341 2.325 -11.030 1.00 1.00 C ATOM 339 O ALA A 23 -8.007 3.348 -10.893 1.00 1.00 O ATOM 340 CB ALA A 23 -6.792 1.051 -13.161 1.00 1.00 C ATOM 0 H ALA A 23 -4.588 1.022 -12.090 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.322 3.083 -12.741 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.776 1.293 -13.562 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.074 0.983 -13.978 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.839 0.096 -12.638 1.00 1.00 H new ATOM 346 N PRO A 24 -7.419 1.290 -10.189 1.00 1.00 N ATOM 347 CA PRO A 24 -8.283 1.245 -9.029 1.00 1.00 C ATOM 348 C PRO A 24 -7.850 2.306 -8.028 1.00 1.00 C ATOM 349 O PRO A 24 -8.527 2.492 -7.019 1.00 1.00 O ATOM 350 CB PRO A 24 -8.094 -0.158 -8.455 1.00 1.00 C ATOM 351 CG PRO A 24 -7.471 -0.993 -9.596 1.00 1.00 C ATOM 352 CD PRO A 24 -6.649 0.072 -10.320 1.00 1.00 C ATOM 0 HA PRO A 24 -9.328 1.442 -9.270 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.442 -0.140 -7.582 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.046 -0.582 -8.134 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.852 -1.807 -9.220 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.228 -1.439 -10.241 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.661 0.180 -9.873 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.499 -0.190 -11.367 1.00 1.00 H new ATOM 360 N HIS A 25 -6.737 2.982 -8.317 1.00 1.00 N ATOM 361 CA HIS A 25 -6.198 4.026 -7.454 1.00 1.00 C ATOM 362 C HIS A 25 -5.813 5.254 -8.300 1.00 1.00 C ATOM 363 O HIS A 25 -4.793 5.889 -8.039 1.00 1.00 O ATOM 364 CB HIS A 25 -5.043 3.441 -6.628 1.00 1.00 C ATOM 365 CG HIS A 25 -5.366 2.250 -5.756 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.244 0.990 -6.185 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.813 2.170 -4.459 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.601 0.158 -5.194 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.961 0.835 -4.105 1.00 1.00 N ATOM 0 H HIS A 25 -6.185 2.818 -9.159 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.944 4.380 -6.742 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.246 3.154 -7.314 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.646 4.231 -5.991 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.931 0.707 -7.114 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.017 3.013 -3.816 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.597 -0.919 -5.270 1.00 1.00 H new ATOM 377 N GLU A 26 -6.648 5.547 -9.286 1.00 1.00 N ATOM 378 CA GLU A 26 -6.405 6.681 -10.161 1.00 1.00 C ATOM 379 C GLU A 26 -7.272 7.870 -9.742 1.00 1.00 C ATOM 380 O GLU A 26 -7.299 8.893 -10.424 1.00 1.00 O ATOM 381 CB GLU A 26 -6.654 6.309 -11.624 1.00 1.00 C ATOM 382 CG GLU A 26 -5.415 6.585 -12.479 1.00 1.00 C ATOM 383 CD GLU A 26 -5.788 7.341 -13.756 1.00 1.00 C ATOM 384 OE1 GLU A 26 -5.917 8.574 -13.731 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.944 6.602 -14.801 1.00 1.00 O ATOM 0 H GLU A 26 -7.494 5.018 -9.498 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.358 6.969 -10.067 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.921 5.255 -11.694 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.500 6.879 -12.009 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.695 7.167 -11.905 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.930 5.644 -12.738 1.00 1.00 H new ATOM 393 N LYS A 27 -7.960 7.695 -8.623 1.00 1.00 N ATOM 394 CA LYS A 27 -8.826 8.740 -8.106 1.00 1.00 C ATOM 395 C LYS A 27 -8.281 9.230 -6.763 1.00 1.00 C ATOM 396 O LYS A 27 -8.616 10.325 -6.315 1.00 1.00 O ATOM 397 CB LYS A 27 -10.274 8.252 -8.041 1.00 1.00 C ATOM 398 CG LYS A 27 -11.134 8.942 -9.102 1.00 1.00 C ATOM 399 CD LYS A 27 -12.598 8.513 -8.987 1.00 1.00 C ATOM 400 CE LYS A 27 -13.323 9.322 -7.910 1.00 1.00 C ATOM 401 NZ LYS A 27 -13.819 8.431 -6.837 1.00 1.00 N ATOM 0 H LYS A 27 -7.935 6.845 -8.060 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.833 9.597 -8.779 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.305 7.173 -8.189 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.684 8.450 -7.051 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -11.059 10.024 -8.989 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.757 8.698 -10.095 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -13.097 8.649 -9.947 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.652 7.451 -8.747 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -12.647 10.066 -7.489 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -14.157 9.865 -8.355 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -14.308 8.997 -6.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -14.480 7.737 -7.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.017 7.932 -6.401 1.00 1.00 H new ATOM 414 N VAL A 28 -7.449 8.394 -6.158 1.00 1.00 N ATOM 415 CA VAL A 28 -6.854 8.728 -4.875 1.00 1.00 C ATOM 416 C VAL A 28 -5.577 9.540 -5.106 1.00 1.00 C ATOM 417 O VAL A 28 -4.681 9.103 -5.826 1.00 1.00 O ATOM 418 CB VAL A 28 -6.614 7.455 -4.062 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.164 7.790 -2.639 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.861 6.569 -4.050 1.00 1.00 C ATOM 0 H VAL A 28 -7.173 7.486 -6.533 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.532 9.348 -4.289 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.812 6.896 -4.543 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.000 6.867 -2.082 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.236 8.361 -2.676 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.934 8.381 -2.143 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.663 5.671 -3.465 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.692 7.116 -3.605 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.117 6.288 -5.071 1.00 1.00 H new ATOM 430 N GLU A 29 -5.536 10.707 -4.481 1.00 1.00 N ATOM 431 CA GLU A 29 -4.384 11.584 -4.608 1.00 1.00 C ATOM 432 C GLU A 29 -3.089 10.789 -4.427 1.00 1.00 C ATOM 433 O GLU A 29 -2.973 9.988 -3.500 1.00 1.00 O ATOM 434 CB GLU A 29 -4.462 12.741 -3.610 1.00 1.00 C ATOM 435 CG GLU A 29 -4.881 14.038 -4.305 1.00 1.00 C ATOM 436 CD GLU A 29 -3.658 14.863 -4.710 1.00 1.00 C ATOM 437 OE1 GLU A 29 -2.647 14.866 -3.993 1.00 1.00 O ATOM 438 OE2 GLU A 29 -3.783 15.517 -5.815 1.00 1.00 O ATOM 0 H GLU A 29 -6.282 11.066 -3.885 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.387 12.012 -5.610 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.176 12.499 -2.823 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.493 12.878 -3.130 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -5.476 13.806 -5.188 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.515 14.623 -3.639 1.00 1.00 H new ATOM 446 N CYS A 30 -2.148 11.039 -5.326 1.00 1.00 N ATOM 447 CA CYS A 30 -0.866 10.356 -5.276 1.00 1.00 C ATOM 448 C CYS A 30 -0.330 10.445 -3.846 1.00 1.00 C ATOM 449 O CYS A 30 -0.138 9.424 -3.187 1.00 1.00 O ATOM 450 CB CYS A 30 0.121 10.934 -6.292 1.00 1.00 C ATOM 451 SG CYS A 30 -0.583 11.252 -7.951 1.00 1.00 S ATOM 0 H CYS A 30 -2.248 11.704 -6.093 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.997 9.309 -5.549 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.521 11.868 -5.898 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.960 10.246 -6.395 1.00 1.00 H new ATOM 456 N VAL A 31 -0.104 11.674 -3.408 1.00 1.00 N ATOM 457 CA VAL A 31 0.407 11.909 -2.068 1.00 1.00 C ATOM 458 C VAL A 31 -0.269 10.943 -1.093 1.00 1.00 C ATOM 459 O VAL A 31 0.405 10.255 -0.327 1.00 1.00 O ATOM 460 CB VAL A 31 0.214 13.378 -1.684 1.00 1.00 C ATOM 461 CG1 VAL A 31 0.114 13.539 -0.166 1.00 1.00 C ATOM 462 CG2 VAL A 31 1.337 14.246 -2.255 1.00 1.00 C ATOM 0 H VAL A 31 -0.265 12.518 -3.957 1.00 1.00 H new ATOM 0 HA VAL A 31 1.479 11.715 -2.028 1.00 1.00 H new ATOM 0 HB VAL A 31 -0.726 13.718 -2.119 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -0.023 14.592 0.080 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -0.736 12.966 0.205 1.00 1.00 H new ATOM 0 HG13 VAL A 31 1.029 13.174 0.300 1.00 1.00 H new ATOM 0 HG21 VAL A 31 1.176 15.285 -1.968 1.00 1.00 H new ATOM 0 HG22 VAL A 31 2.295 13.905 -1.863 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.341 14.167 -3.342 1.00 1.00 H new ATOM 472 N THR A 32 -1.592 10.921 -1.153 1.00 1.00 N ATOM 473 CA THR A 32 -2.366 10.050 -0.285 1.00 1.00 C ATOM 474 C THR A 32 -1.650 8.711 -0.096 1.00 1.00 C ATOM 475 O THR A 32 -1.708 8.118 0.980 1.00 1.00 O ATOM 476 CB THR A 32 -3.767 9.910 -0.883 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.060 11.210 -1.388 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.839 9.675 0.184 1.00 1.00 C ATOM 0 H THR A 32 -2.148 11.492 -1.789 1.00 1.00 H new ATOM 0 HA THR A 32 -2.464 10.474 0.714 1.00 1.00 H new ATOM 0 HB THR A 32 -3.777 9.085 -1.595 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.861 11.560 -0.946 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.814 9.583 -0.294 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.614 8.759 0.730 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.853 10.516 0.877 1.00 1.00 H new ATOM 486 N CYS A 33 -0.990 8.275 -1.159 1.00 1.00 N ATOM 487 CA CYS A 33 -0.263 7.017 -1.124 1.00 1.00 C ATOM 488 C CYS A 33 1.234 7.328 -1.095 1.00 1.00 C ATOM 489 O CYS A 33 1.964 6.839 -0.236 1.00 1.00 O ATOM 490 CB CYS A 33 -0.636 6.115 -2.302 1.00 1.00 C ATOM 491 SG CYS A 33 -1.710 4.749 -1.729 1.00 1.00 S ATOM 0 H CYS A 33 -0.943 8.770 -2.050 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.535 6.462 -0.226 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.150 6.696 -3.067 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.266 5.711 -2.761 1.00 1.00 H new ATOM 496 N HIS A 34 1.657 8.151 -2.055 1.00 1.00 N ATOM 497 CA HIS A 34 3.050 8.563 -2.189 1.00 1.00 C ATOM 498 C HIS A 34 3.326 9.771 -1.276 1.00 1.00 C ATOM 499 O HIS A 34 3.486 10.892 -1.755 1.00 1.00 O ATOM 500 CB HIS A 34 3.355 8.810 -3.674 1.00 1.00 C ATOM 501 CG HIS A 34 3.300 7.608 -4.588 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.295 6.719 -4.668 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.331 7.177 -5.462 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.959 5.771 -5.558 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.756 6.006 -6.078 1.00 1.00 N ATOM 0 H HIS A 34 1.040 8.550 -2.762 1.00 1.00 H new ATOM 0 HA HIS A 34 3.731 7.780 -1.856 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.650 9.553 -4.047 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.350 9.249 -3.748 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.167 6.755 -4.140 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.387 7.671 -5.642 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.583 4.929 -5.818 1.00 1.00 H new ATOM 513 N HIS A 35 3.375 9.501 0.029 1.00 1.00 N ATOM 514 CA HIS A 35 3.626 10.522 1.040 1.00 1.00 C ATOM 515 C HIS A 35 4.836 11.379 0.625 1.00 1.00 C ATOM 516 O HIS A 35 5.636 10.956 -0.208 1.00 1.00 O ATOM 517 CB HIS A 35 3.774 9.840 2.408 1.00 1.00 C ATOM 518 CG HIS A 35 5.069 9.103 2.664 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.264 9.694 2.574 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.314 7.795 3.010 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.216 8.792 2.854 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.685 7.602 3.130 1.00 1.00 N ATOM 0 H HIS A 35 3.241 8.565 0.413 1.00 1.00 H new ATOM 0 HA HIS A 35 2.789 11.215 1.125 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.656 10.599 3.181 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.952 9.134 2.527 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.426 10.672 2.332 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.560 7.037 3.164 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.275 9.003 2.856 1.00 1.00 H new ATOM 530 N LEU A 36 4.927 12.558 1.223 1.00 1.00 N ATOM 531 CA LEU A 36 6.022 13.465 0.924 1.00 1.00 C ATOM 532 C LEU A 36 7.248 13.068 1.747 1.00 1.00 C ATOM 533 O LEU A 36 7.117 12.455 2.806 1.00 1.00 O ATOM 534 CB LEU A 36 5.586 14.917 1.132 1.00 1.00 C ATOM 535 CG LEU A 36 4.129 15.236 0.788 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.321 15.534 2.052 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.042 16.375 -0.230 1.00 1.00 C ATOM 0 H LEU A 36 4.261 12.906 1.913 1.00 1.00 H new ATOM 0 HA LEU A 36 6.304 13.387 -0.126 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.758 15.181 2.175 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.230 15.559 0.530 1.00 1.00 H new ATOM 0 HG LEU A 36 3.687 14.355 0.323 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.289 15.758 1.780 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.343 14.666 2.711 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.754 16.391 2.567 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.996 16.581 -0.457 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.507 17.270 0.184 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.561 16.087 -1.144 1.00 1.00 H new ATOM 549 N VAL A 37 8.412 13.433 1.231 1.00 1.00 N ATOM 550 CA VAL A 37 9.661 13.122 1.905 1.00 1.00 C ATOM 551 C VAL A 37 10.456 14.412 2.118 1.00 1.00 C ATOM 552 O VAL A 37 10.920 15.025 1.157 1.00 1.00 O ATOM 553 CB VAL A 37 10.435 12.066 1.113 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.831 11.853 1.702 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.659 10.750 1.050 1.00 1.00 C ATOM 0 H VAL A 37 8.517 13.942 0.353 1.00 1.00 H new ATOM 0 HA VAL A 37 9.468 12.694 2.888 1.00 1.00 H new ATOM 0 HB VAL A 37 10.554 12.433 0.093 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.360 11.098 1.121 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.386 12.790 1.670 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.743 11.519 2.736 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.231 10.017 0.482 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.493 10.377 2.061 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.698 10.917 0.563 1.00 1.00 H new ATOM 565 N ASP A 38 10.589 14.786 3.382 1.00 1.00 N ATOM 566 CA ASP A 38 11.320 15.992 3.733 1.00 1.00 C ATOM 567 C ASP A 38 10.733 17.180 2.967 1.00 1.00 C ATOM 568 O ASP A 38 11.470 18.039 2.487 1.00 1.00 O ATOM 569 CB ASP A 38 12.797 15.870 3.355 1.00 1.00 C ATOM 570 CG ASP A 38 13.779 16.383 4.411 1.00 1.00 C ATOM 571 OD1 ASP A 38 14.323 17.491 4.292 1.00 1.00 O ATOM 572 OD2 ASP A 38 13.981 15.584 5.403 1.00 1.00 O ATOM 0 H ASP A 38 10.203 14.275 4.176 1.00 1.00 H new ATOM 0 HA ASP A 38 11.234 16.137 4.810 1.00 1.00 H new ATOM 0 HB2 ASP A 38 13.019 14.822 3.152 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.966 16.417 2.427 1.00 1.00 H new ATOM 578 N GLY A 39 9.411 17.189 2.876 1.00 1.00 N ATOM 579 CA GLY A 39 8.717 18.257 2.177 1.00 1.00 C ATOM 580 C GLY A 39 9.207 18.376 0.732 1.00 1.00 C ATOM 581 O GLY A 39 9.237 19.470 0.171 1.00 1.00 O ATOM 0 H GLY A 39 8.803 16.474 3.275 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.644 18.065 2.186 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.877 19.201 2.698 1.00 1.00 H new ATOM 585 N LYS A 40 9.577 17.234 0.171 1.00 1.00 N ATOM 586 CA LYS A 40 10.064 17.196 -1.197 1.00 1.00 C ATOM 587 C LYS A 40 9.368 16.060 -1.950 1.00 1.00 C ATOM 588 O LYS A 40 9.716 14.893 -1.779 1.00 1.00 O ATOM 589 CB LYS A 40 11.591 17.104 -1.221 1.00 1.00 C ATOM 590 CG LYS A 40 12.118 17.097 -2.657 1.00 1.00 C ATOM 591 CD LYS A 40 13.289 18.069 -2.816 1.00 1.00 C ATOM 592 CE LYS A 40 12.918 19.227 -3.746 1.00 1.00 C ATOM 593 NZ LYS A 40 13.901 20.327 -3.621 1.00 1.00 N ATOM 0 H LYS A 40 9.549 16.328 0.639 1.00 1.00 H new ATOM 0 HA LYS A 40 9.816 18.122 -1.715 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.018 17.947 -0.677 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.912 16.198 -0.708 1.00 1.00 H new ATOM 0 HG2 LYS A 40 12.437 16.090 -2.926 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.317 17.371 -3.343 1.00 1.00 H new ATOM 0 HD2 LYS A 40 13.577 18.460 -1.840 1.00 1.00 H new ATOM 0 HD3 LYS A 40 14.154 17.540 -3.216 1.00 1.00 H new ATOM 0 HE2 LYS A 40 12.885 18.877 -4.778 1.00 1.00 H new ATOM 0 HE3 LYS A 40 11.921 19.593 -3.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 13.635 21.105 -4.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 13.913 20.672 -2.640 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 14.847 19.978 -3.877 1.00 1.00 H new ATOM 606 N GLU A 41 8.398 16.442 -2.768 1.00 1.00 N ATOM 607 CA GLU A 41 7.651 15.470 -3.548 1.00 1.00 C ATOM 608 C GLU A 41 8.600 14.441 -4.163 1.00 1.00 C ATOM 609 O GLU A 41 9.593 14.804 -4.792 1.00 1.00 O ATOM 610 CB GLU A 41 6.815 16.160 -4.628 1.00 1.00 C ATOM 611 CG GLU A 41 7.711 16.856 -5.654 1.00 1.00 C ATOM 612 CD GLU A 41 6.953 17.972 -6.376 1.00 1.00 C ATOM 613 OE1 GLU A 41 6.171 18.699 -5.746 1.00 1.00 O ATOM 614 OE2 GLU A 41 7.202 18.072 -7.638 1.00 1.00 O ATOM 0 H GLU A 41 8.112 17.411 -2.907 1.00 1.00 H new ATOM 0 HA GLU A 41 6.964 14.948 -2.881 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.185 15.426 -5.129 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.149 16.890 -4.167 1.00 1.00 H new ATOM 0 HG2 GLU A 41 8.587 17.270 -5.155 1.00 1.00 H new ATOM 0 HG3 GLU A 41 8.072 16.128 -6.380 1.00 1.00 H new ATOM 622 N SER A 42 8.262 13.176 -3.961 1.00 1.00 N ATOM 623 CA SER A 42 9.072 12.091 -4.489 1.00 1.00 C ATOM 624 C SER A 42 8.179 10.908 -4.869 1.00 1.00 C ATOM 625 O SER A 42 7.062 10.750 -4.380 1.00 1.00 O ATOM 626 CB SER A 42 10.131 11.652 -3.476 1.00 1.00 C ATOM 627 OG SER A 42 10.898 10.548 -3.950 1.00 1.00 O ATOM 0 H SER A 42 7.438 12.878 -3.439 1.00 1.00 H new ATOM 0 HA SER A 42 9.587 12.451 -5.380 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.795 12.489 -3.260 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.646 11.380 -2.539 1.00 1.00 H new ATOM 0 HG SER A 42 11.564 10.299 -3.276 1.00 1.00 H new ATOM 633 N TYR A 43 8.704 10.069 -5.764 1.00 1.00 N ATOM 634 CA TYR A 43 7.984 8.901 -6.229 1.00 1.00 C ATOM 635 C TYR A 43 8.954 7.746 -6.439 1.00 1.00 C ATOM 636 O TYR A 43 9.012 7.213 -7.546 1.00 1.00 O ATOM 637 CB TYR A 43 7.255 9.237 -7.527 1.00 1.00 C ATOM 638 CG TYR A 43 6.186 10.291 -7.362 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.546 11.626 -7.147 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.834 9.931 -7.423 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.554 12.603 -6.994 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.842 10.908 -7.271 1.00 1.00 C ATOM 643 CZ TYR A 43 4.202 12.243 -7.056 1.00 1.00 C ATOM 644 OH TYR A 43 3.237 13.195 -6.907 1.00 1.00 O ATOM 0 H TYR A 43 9.629 10.185 -6.177 1.00 1.00 H new ATOM 0 HA TYR A 43 7.249 8.601 -5.482 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.981 9.580 -8.264 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.801 8.329 -7.925 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.589 11.903 -7.099 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.556 8.900 -7.587 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.832 13.633 -6.828 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.799 10.631 -7.320 1.00 1.00 H new ATOM 0 HH TYR A 43 2.353 12.778 -6.978 1.00 1.00 H new ATOM 654 N ALA A 44 9.684 7.388 -5.394 1.00 1.00 N ATOM 655 CA ALA A 44 10.640 6.297 -5.487 1.00 1.00 C ATOM 656 C ALA A 44 9.997 5.014 -4.958 1.00 1.00 C ATOM 657 O ALA A 44 9.146 5.062 -4.072 1.00 1.00 O ATOM 658 CB ALA A 44 11.914 6.668 -4.726 1.00 1.00 C ATOM 0 H ALA A 44 9.633 7.834 -4.478 1.00 1.00 H new ATOM 0 HA ALA A 44 10.921 6.120 -6.525 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.631 5.850 -4.796 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.348 7.569 -5.160 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.672 6.850 -3.679 1.00 1.00 H new ATOM 664 N LYS A 45 10.429 3.897 -5.524 1.00 1.00 N ATOM 665 CA LYS A 45 9.906 2.603 -5.120 1.00 1.00 C ATOM 666 C LYS A 45 9.730 2.580 -3.601 1.00 1.00 C ATOM 667 O LYS A 45 10.468 3.246 -2.877 1.00 1.00 O ATOM 668 CB LYS A 45 10.793 1.476 -5.653 1.00 1.00 C ATOM 669 CG LYS A 45 10.130 0.112 -5.450 1.00 1.00 C ATOM 670 CD LYS A 45 10.571 -0.879 -6.529 1.00 1.00 C ATOM 671 CE LYS A 45 10.366 -2.322 -6.064 1.00 1.00 C ATOM 672 NZ LYS A 45 11.437 -3.194 -6.594 1.00 1.00 N ATOM 0 H LYS A 45 11.135 3.861 -6.259 1.00 1.00 H new ATOM 0 HA LYS A 45 8.922 2.437 -5.558 1.00 1.00 H new ATOM 0 HB2 LYS A 45 10.990 1.634 -6.713 1.00 1.00 H new ATOM 0 HB3 LYS A 45 11.756 1.495 -5.144 1.00 1.00 H new ATOM 0 HG2 LYS A 45 10.388 -0.279 -4.466 1.00 1.00 H new ATOM 0 HG3 LYS A 45 9.046 0.223 -5.475 1.00 1.00 H new ATOM 0 HD2 LYS A 45 10.004 -0.703 -7.443 1.00 1.00 H new ATOM 0 HD3 LYS A 45 11.622 -0.716 -6.770 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.362 -2.362 -4.975 1.00 1.00 H new ATOM 0 HE3 LYS A 45 9.394 -2.684 -6.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 11.283 -4.170 -6.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 11.422 -3.169 -7.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.360 -2.857 -6.253 1.00 1.00 H new ATOM 685 N CYS A 46 8.748 1.807 -3.162 1.00 1.00 N ATOM 686 CA CYS A 46 8.465 1.689 -1.742 1.00 1.00 C ATOM 687 C CYS A 46 9.785 1.445 -1.008 1.00 1.00 C ATOM 688 O CYS A 46 9.996 1.963 0.088 1.00 1.00 O ATOM 689 CB CYS A 46 7.442 0.587 -1.458 1.00 1.00 C ATOM 690 SG CYS A 46 5.975 1.128 -0.507 1.00 1.00 S ATOM 0 H CYS A 46 8.138 1.256 -3.765 1.00 1.00 H new ATOM 0 HA CYS A 46 8.015 2.613 -1.381 1.00 1.00 H new ATOM 0 HB2 CYS A 46 7.108 0.168 -2.407 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.936 -0.216 -0.911 1.00 1.00 H new ATOM 695 N GLY A 47 10.641 0.656 -1.642 1.00 1.00 N ATOM 696 CA GLY A 47 11.935 0.337 -1.063 1.00 1.00 C ATOM 697 C GLY A 47 13.069 0.965 -1.876 1.00 1.00 C ATOM 698 O GLY A 47 13.892 0.256 -2.451 1.00 1.00 O ATOM 0 H GLY A 47 10.463 0.228 -2.551 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.976 0.698 -0.035 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.065 -0.745 -1.027 1.00 1.00 H new ATOM 702 N SER A 48 13.075 2.290 -1.897 1.00 1.00 N ATOM 703 CA SER A 48 14.094 3.022 -2.629 1.00 1.00 C ATOM 704 C SER A 48 15.204 3.470 -1.676 1.00 1.00 C ATOM 705 O SER A 48 15.045 3.402 -0.458 1.00 1.00 O ATOM 706 CB SER A 48 13.494 4.231 -3.350 1.00 1.00 C ATOM 707 OG SER A 48 14.498 5.069 -3.915 1.00 1.00 O ATOM 0 H SER A 48 12.390 2.875 -1.419 1.00 1.00 H new ATOM 0 HA SER A 48 14.517 2.357 -3.382 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.824 3.887 -4.138 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.892 4.809 -2.649 1.00 1.00 H new ATOM 0 HG SER A 48 14.483 4.985 -4.891 1.00 1.00 H new ATOM 713 N SER A 49 16.303 3.917 -2.266 1.00 1.00 N ATOM 714 CA SER A 49 17.438 4.376 -1.484 1.00 1.00 C ATOM 715 C SER A 49 16.951 5.155 -0.261 1.00 1.00 C ATOM 716 O SER A 49 16.218 6.134 -0.395 1.00 1.00 O ATOM 717 CB SER A 49 18.373 5.244 -2.328 1.00 1.00 C ATOM 718 OG SER A 49 19.716 5.201 -1.853 1.00 1.00 O ATOM 0 H SER A 49 16.431 3.971 -3.276 1.00 1.00 H new ATOM 0 HA SER A 49 17.999 3.503 -1.151 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.344 4.907 -3.364 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.018 6.275 -2.318 1.00 1.00 H new ATOM 0 HG SER A 49 20.282 5.766 -2.419 1.00 1.00 H new ATOM 724 N GLY A 50 17.378 4.692 0.905 1.00 1.00 N ATOM 725 CA GLY A 50 16.994 5.333 2.151 1.00 1.00 C ATOM 726 C GLY A 50 15.472 5.364 2.306 1.00 1.00 C ATOM 727 O GLY A 50 14.885 6.428 2.495 1.00 1.00 O ATOM 0 H GLY A 50 17.986 3.880 1.013 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.438 4.798 2.991 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.386 6.350 2.177 1.00 1.00 H new ATOM 731 N CYS A 51 14.877 4.184 2.220 1.00 1.00 N ATOM 732 CA CYS A 51 13.434 4.062 2.348 1.00 1.00 C ATOM 733 C CYS A 51 13.124 2.730 3.035 1.00 1.00 C ATOM 734 O CYS A 51 13.873 2.276 3.896 1.00 1.00 O ATOM 735 CB CYS A 51 12.734 4.182 0.993 1.00 1.00 C ATOM 736 SG CYS A 51 13.408 5.608 0.064 1.00 1.00 S ATOM 0 H CYS A 51 15.367 3.303 2.063 1.00 1.00 H new ATOM 0 HA CYS A 51 13.049 4.881 2.955 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.874 3.265 0.420 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.661 4.307 1.139 1.00 1.00 H new ATOM 741 N HIS A 52 12.004 2.133 2.625 1.00 1.00 N ATOM 742 CA HIS A 52 11.545 0.858 3.164 1.00 1.00 C ATOM 743 C HIS A 52 12.032 -0.293 2.265 1.00 1.00 C ATOM 744 O HIS A 52 11.282 -0.777 1.419 1.00 1.00 O ATOM 745 CB HIS A 52 10.021 0.915 3.347 1.00 1.00 C ATOM 746 CG HIS A 52 9.442 2.230 3.815 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.447 2.602 5.099 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.837 3.253 3.124 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.868 3.809 5.203 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.473 4.256 4.013 1.00 1.00 N ATOM 0 H HIS A 52 11.391 2.523 1.909 1.00 1.00 H new ATOM 0 HA HIS A 52 11.971 0.665 4.148 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.554 0.657 2.396 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.735 0.144 4.062 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.828 2.058 5.873 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.671 3.273 2.057 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.740 4.347 6.131 1.00 1.00 H new ATOM 758 N ASP A 53 13.277 -0.693 2.481 1.00 1.00 N ATOM 759 CA ASP A 53 13.861 -1.772 1.703 1.00 1.00 C ATOM 760 C ASP A 53 14.580 -2.742 2.644 1.00 1.00 C ATOM 761 O ASP A 53 15.761 -3.032 2.458 1.00 1.00 O ATOM 762 CB ASP A 53 14.887 -1.236 0.703 1.00 1.00 C ATOM 763 CG ASP A 53 15.018 -2.049 -0.587 1.00 1.00 C ATOM 764 OD1 ASP A 53 14.035 -2.256 -1.314 1.00 1.00 O ATOM 765 OD2 ASP A 53 16.206 -2.484 -0.839 1.00 1.00 O ATOM 0 H ASP A 53 13.897 -0.289 3.183 1.00 1.00 H new ATOM 0 HA ASP A 53 13.057 -2.272 1.163 1.00 1.00 H new ATOM 0 HB2 ASP A 53 14.619 -0.212 0.444 1.00 1.00 H new ATOM 0 HB3 ASP A 53 15.861 -1.197 1.191 1.00 1.00 H new ATOM 771 N ASP A 54 13.837 -3.216 3.633 1.00 1.00 N ATOM 772 CA ASP A 54 14.389 -4.147 4.603 1.00 1.00 C ATOM 773 C ASP A 54 13.248 -4.923 5.265 1.00 1.00 C ATOM 774 O ASP A 54 12.676 -4.468 6.255 1.00 1.00 O ATOM 775 CB ASP A 54 15.158 -3.408 5.700 1.00 1.00 C ATOM 776 CG ASP A 54 16.628 -3.807 5.840 1.00 1.00 C ATOM 777 OD1 ASP A 54 17.419 -3.674 4.895 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.957 -4.280 6.995 1.00 1.00 O ATOM 0 H ASP A 54 12.858 -2.973 3.784 1.00 1.00 H new ATOM 0 HA ASP A 54 15.068 -4.819 4.078 1.00 1.00 H new ATOM 0 HB2 ASP A 54 15.105 -2.337 5.502 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.658 -3.581 6.653 1.00 1.00 H new ATOM 784 N LEU A 55 12.951 -6.080 4.692 1.00 1.00 N ATOM 785 CA LEU A 55 11.889 -6.922 5.214 1.00 1.00 C ATOM 786 C LEU A 55 12.469 -7.880 6.256 1.00 1.00 C ATOM 787 O LEU A 55 11.822 -8.853 6.639 1.00 1.00 O ATOM 788 CB LEU A 55 11.154 -7.628 4.072 1.00 1.00 C ATOM 789 CG LEU A 55 10.436 -6.719 3.073 1.00 1.00 C ATOM 790 CD1 LEU A 55 11.433 -6.056 2.120 1.00 1.00 C ATOM 791 CD2 LEU A 55 9.346 -7.484 2.321 1.00 1.00 C ATOM 0 H LEU A 55 13.428 -6.454 3.871 1.00 1.00 H new ATOM 0 HA LEU A 55 11.137 -6.316 5.720 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.873 -8.238 3.526 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.421 -8.309 4.504 1.00 1.00 H new ATOM 0 HG LEU A 55 9.944 -5.921 3.629 1.00 1.00 H new ATOM 0 HD11 LEU A 55 10.896 -5.415 1.420 1.00 1.00 H new ATOM 0 HD12 LEU A 55 12.140 -5.456 2.693 1.00 1.00 H new ATOM 0 HD13 LEU A 55 11.974 -6.824 1.567 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.851 -6.815 1.617 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.794 -8.315 1.777 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.614 -7.868 3.032 1.00 1.00 H new ATOM 803 N THR A 56 13.684 -7.570 6.686 1.00 1.00 N ATOM 804 CA THR A 56 14.358 -8.391 7.677 1.00 1.00 C ATOM 805 C THR A 56 13.702 -8.219 9.049 1.00 1.00 C ATOM 806 O THR A 56 13.848 -9.073 9.922 1.00 1.00 O ATOM 807 CB THR A 56 15.843 -8.023 7.664 1.00 1.00 C ATOM 808 OG1 THR A 56 16.368 -8.737 6.548 1.00 1.00 O ATOM 809 CG2 THR A 56 16.600 -8.598 8.863 1.00 1.00 C ATOM 0 H THR A 56 14.218 -6.762 6.366 1.00 1.00 H new ATOM 0 HA THR A 56 14.268 -9.451 7.439 1.00 1.00 H new ATOM 0 HB THR A 56 15.947 -6.938 7.655 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.327 -8.554 6.464 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.649 -8.307 8.805 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.167 -8.212 9.786 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.524 -9.685 8.854 1.00 1.00 H new ATOM 817 N ALA A 57 12.993 -7.110 9.195 1.00 1.00 N ATOM 818 CA ALA A 57 12.314 -6.815 10.445 1.00 1.00 C ATOM 819 C ALA A 57 10.814 -7.059 10.276 1.00 1.00 C ATOM 820 O ALA A 57 10.313 -7.115 9.153 1.00 1.00 O ATOM 821 CB ALA A 57 12.627 -5.379 10.870 1.00 1.00 C ATOM 0 H ALA A 57 12.874 -6.404 8.468 1.00 1.00 H new ATOM 0 HA ALA A 57 12.668 -7.474 11.238 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.117 -5.158 11.808 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.703 -5.266 11.006 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.284 -4.689 10.099 1.00 1.00 H new ATOM 827 N LYS A 58 10.137 -7.198 11.406 1.00 1.00 N ATOM 828 CA LYS A 58 8.704 -7.435 11.397 1.00 1.00 C ATOM 829 C LYS A 58 7.973 -6.131 11.723 1.00 1.00 C ATOM 830 O LYS A 58 6.745 -6.077 11.686 1.00 1.00 O ATOM 831 CB LYS A 58 8.345 -8.591 12.333 1.00 1.00 C ATOM 832 CG LYS A 58 6.839 -8.859 12.322 1.00 1.00 C ATOM 833 CD LYS A 58 6.138 -8.095 13.448 1.00 1.00 C ATOM 834 CE LYS A 58 5.807 -9.025 14.617 1.00 1.00 C ATOM 835 NZ LYS A 58 4.635 -8.519 15.365 1.00 1.00 N ATOM 0 H LYS A 58 10.555 -7.151 12.335 1.00 1.00 H new ATOM 0 HA LYS A 58 8.377 -7.745 10.405 1.00 1.00 H new ATOM 0 HB2 LYS A 58 8.880 -9.490 12.028 1.00 1.00 H new ATOM 0 HB3 LYS A 58 8.669 -8.356 13.347 1.00 1.00 H new ATOM 0 HG2 LYS A 58 6.420 -8.562 11.360 1.00 1.00 H new ATOM 0 HG3 LYS A 58 6.655 -9.928 12.433 1.00 1.00 H new ATOM 0 HD2 LYS A 58 6.777 -7.283 13.794 1.00 1.00 H new ATOM 0 HD3 LYS A 58 5.222 -7.641 13.069 1.00 1.00 H new ATOM 0 HE2 LYS A 58 5.603 -10.029 14.244 1.00 1.00 H new ATOM 0 HE3 LYS A 58 6.666 -9.101 15.283 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 4.424 -9.161 16.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 4.843 -7.570 15.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 3.813 -8.469 14.730 1.00 1.00 H new ATOM 848 N LYS A 59 8.760 -5.112 12.035 1.00 1.00 N ATOM 849 CA LYS A 59 8.204 -3.811 12.368 1.00 1.00 C ATOM 850 C LYS A 59 9.338 -2.790 12.481 1.00 1.00 C ATOM 851 O LYS A 59 10.350 -3.051 13.129 1.00 1.00 O ATOM 852 CB LYS A 59 7.334 -3.906 13.623 1.00 1.00 C ATOM 853 CG LYS A 59 8.196 -3.984 14.884 1.00 1.00 C ATOM 854 CD LYS A 59 7.346 -3.800 16.142 1.00 1.00 C ATOM 855 CE LYS A 59 7.167 -5.128 16.882 1.00 1.00 C ATOM 856 NZ LYS A 59 7.783 -5.059 18.226 1.00 1.00 N ATOM 0 H LYS A 59 9.778 -5.161 12.064 1.00 1.00 H new ATOM 0 HA LYS A 59 7.542 -3.465 11.574 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.677 -3.038 13.681 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.694 -4.786 13.561 1.00 1.00 H new ATOM 0 HG2 LYS A 59 8.704 -4.947 14.922 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.969 -3.217 14.848 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.819 -3.073 16.802 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.371 -3.397 15.870 1.00 1.00 H new ATOM 0 HE2 LYS A 59 6.106 -5.360 16.973 1.00 1.00 H new ATOM 0 HE3 LYS A 59 7.622 -5.935 16.308 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 7.653 -5.968 18.715 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 8.799 -4.859 18.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 7.330 -4.302 18.777 1.00 1.00 H new ATOM 869 N GLY A 60 9.130 -1.649 11.841 1.00 1.00 N ATOM 870 CA GLY A 60 10.122 -0.587 11.862 1.00 1.00 C ATOM 871 C GLY A 60 10.062 0.244 10.579 1.00 1.00 C ATOM 872 O GLY A 60 9.570 -0.224 9.554 1.00 1.00 O ATOM 0 H GLY A 60 8.289 -1.436 11.304 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.952 0.057 12.725 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.117 -1.016 11.975 1.00 1.00 H new ATOM 876 N GLU A 61 10.570 1.464 10.679 1.00 1.00 N ATOM 877 CA GLU A 61 10.580 2.365 9.539 1.00 1.00 C ATOM 878 C GLU A 61 11.287 1.710 8.351 1.00 1.00 C ATOM 879 O GLU A 61 10.997 2.029 7.199 1.00 1.00 O ATOM 880 CB GLU A 61 11.238 3.698 9.900 1.00 1.00 C ATOM 881 CG GLU A 61 12.442 3.484 10.820 1.00 1.00 C ATOM 882 CD GLU A 61 12.139 3.964 12.241 1.00 1.00 C ATOM 883 OE1 GLU A 61 11.731 5.119 12.431 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.340 3.088 13.167 1.00 1.00 O ATOM 0 H GLU A 61 10.977 1.849 11.531 1.00 1.00 H new ATOM 0 HA GLU A 61 9.548 2.571 9.255 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.557 4.208 8.991 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.511 4.345 10.391 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.707 2.427 10.838 1.00 1.00 H new ATOM 0 HG3 GLU A 61 13.305 4.022 10.427 1.00 1.00 H new ATOM 892 N LYS A 62 12.200 0.805 8.671 1.00 1.00 N ATOM 893 CA LYS A 62 12.950 0.102 7.644 1.00 1.00 C ATOM 894 C LYS A 62 12.261 -1.230 7.338 1.00 1.00 C ATOM 895 O LYS A 62 12.924 -2.217 7.020 1.00 1.00 O ATOM 896 CB LYS A 62 14.416 -0.045 8.057 1.00 1.00 C ATOM 897 CG LYS A 62 14.948 1.257 8.660 1.00 1.00 C ATOM 898 CD LYS A 62 15.224 1.095 10.156 1.00 1.00 C ATOM 899 CE LYS A 62 16.272 2.104 10.632 1.00 1.00 C ATOM 900 NZ LYS A 62 15.623 3.366 11.051 1.00 1.00 N ATOM 0 H LYS A 62 12.438 0.542 9.628 1.00 1.00 H new ATOM 0 HA LYS A 62 12.960 0.677 6.718 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.514 -0.853 8.782 1.00 1.00 H new ATOM 0 HB3 LYS A 62 15.016 -0.320 7.190 1.00 1.00 H new ATOM 0 HG2 LYS A 62 15.864 1.552 8.147 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.224 2.057 8.505 1.00 1.00 H new ATOM 0 HD2 LYS A 62 14.300 1.233 10.717 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.571 0.082 10.358 1.00 1.00 H new ATOM 0 HE2 LYS A 62 16.837 1.685 11.464 1.00 1.00 H new ATOM 0 HE3 LYS A 62 16.984 2.303 9.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 16.320 3.974 11.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 15.248 3.858 10.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 14.844 3.155 11.707 1.00 1.00 H new ATOM 913 N SER A 63 10.941 -1.215 7.445 1.00 1.00 N ATOM 914 CA SER A 63 10.156 -2.410 7.183 1.00 1.00 C ATOM 915 C SER A 63 8.990 -2.076 6.250 1.00 1.00 C ATOM 916 O SER A 63 8.330 -1.051 6.418 1.00 1.00 O ATOM 917 CB SER A 63 9.635 -3.022 8.485 1.00 1.00 C ATOM 918 OG SER A 63 9.368 -4.415 8.350 1.00 1.00 O ATOM 0 H SER A 63 10.395 -0.395 7.709 1.00 1.00 H new ATOM 0 HA SER A 63 10.801 -3.144 6.700 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.368 -2.868 9.277 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.724 -2.506 8.789 1.00 1.00 H new ATOM 0 HG SER A 63 10.062 -4.928 8.815 1.00 1.00 H new ATOM 924 N LEU A 64 8.772 -2.960 5.287 1.00 1.00 N ATOM 925 CA LEU A 64 7.698 -2.771 4.328 1.00 1.00 C ATOM 926 C LEU A 64 6.497 -3.626 4.738 1.00 1.00 C ATOM 927 O LEU A 64 5.780 -4.184 3.911 1.00 1.00 O ATOM 928 CB LEU A 64 8.194 -3.049 2.907 1.00 1.00 C ATOM 929 CG LEU A 64 7.191 -2.783 1.783 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.772 -1.312 1.759 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.746 -3.243 0.433 1.00 1.00 C ATOM 0 H LEU A 64 9.321 -3.809 5.151 1.00 1.00 H new ATOM 0 HA LEU A 64 7.366 -1.733 4.328 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.081 -2.441 2.727 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.506 -4.092 2.850 1.00 1.00 H new ATOM 0 HG LEU A 64 6.294 -3.370 1.979 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.059 -1.150 0.951 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.308 -1.050 2.710 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.650 -0.686 1.599 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.013 -3.043 -0.349 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.667 -2.702 0.215 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.954 -4.312 0.470 1.00 1.00 H new ATOM 943 N TYR A 65 6.293 -3.716 6.054 1.00 1.00 N ATOM 944 CA TYR A 65 5.199 -4.490 6.605 1.00 1.00 C ATOM 945 C TYR A 65 4.417 -3.643 7.599 1.00 1.00 C ATOM 946 O TYR A 65 3.200 -3.775 7.709 1.00 1.00 O ATOM 947 CB TYR A 65 5.752 -5.743 7.278 1.00 1.00 C ATOM 948 CG TYR A 65 4.829 -6.323 8.324 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.845 -7.248 7.953 1.00 1.00 C ATOM 950 CD2 TYR A 65 4.956 -5.935 9.663 1.00 1.00 C ATOM 951 CE1 TYR A 65 2.989 -7.785 8.922 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.100 -6.472 10.632 1.00 1.00 C ATOM 953 CZ TYR A 65 3.117 -7.397 10.261 1.00 1.00 C ATOM 954 OH TYR A 65 2.283 -7.920 11.205 1.00 1.00 O ATOM 0 H TYR A 65 6.878 -3.258 6.753 1.00 1.00 H new ATOM 0 HA TYR A 65 4.523 -4.792 5.805 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.946 -6.499 6.517 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.709 -5.504 7.742 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.747 -7.547 6.920 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.715 -5.221 9.949 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.230 -8.498 8.637 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.198 -6.173 11.665 1.00 1.00 H new ATOM 0 HH TYR A 65 2.507 -7.546 12.083 1.00 1.00 H new ATOM 964 N TYR A 66 5.120 -2.772 8.325 1.00 1.00 N ATOM 965 CA TYR A 66 4.490 -1.911 9.306 1.00 1.00 C ATOM 966 C TYR A 66 4.042 -0.616 8.644 1.00 1.00 C ATOM 967 O TYR A 66 3.665 0.315 9.354 1.00 1.00 O ATOM 968 CB TYR A 66 5.473 -1.628 10.438 1.00 1.00 C ATOM 969 CG TYR A 66 4.943 -0.659 11.468 1.00 1.00 C ATOM 970 CD1 TYR A 66 4.209 -1.133 12.562 1.00 1.00 C ATOM 971 CD2 TYR A 66 5.185 0.713 11.329 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.718 -0.235 13.518 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.693 1.611 12.284 1.00 1.00 C ATOM 974 CZ TYR A 66 3.960 1.137 13.379 1.00 1.00 C ATOM 975 OH TYR A 66 3.482 2.011 14.310 1.00 1.00 O ATOM 0 H TYR A 66 6.130 -2.650 8.246 1.00 1.00 H new ATOM 0 HA TYR A 66 3.612 -2.406 9.720 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.727 -2.566 10.931 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.396 -1.229 10.016 1.00 1.00 H new ATOM 0 HD1 TYR A 66 4.021 -2.191 12.669 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.751 1.079 10.485 1.00 1.00 H new ATOM 0 HE1 TYR A 66 3.153 -0.601 14.362 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.879 2.669 12.176 1.00 1.00 H new ATOM 0 HH TYR A 66 3.739 2.924 14.064 1.00 1.00 H new ATOM 985 N VAL A 67 4.089 -0.579 7.320 1.00 1.00 N ATOM 986 CA VAL A 67 3.682 0.610 6.590 1.00 1.00 C ATOM 987 C VAL A 67 2.726 0.210 5.464 1.00 1.00 C ATOM 988 O VAL A 67 2.388 1.029 4.611 1.00 1.00 O ATOM 989 CB VAL A 67 4.916 1.362 6.087 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.872 1.679 7.238 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.628 0.573 4.985 1.00 1.00 C ATOM 0 H VAL A 67 4.403 -1.353 6.734 1.00 1.00 H new ATOM 0 HA VAL A 67 3.144 1.295 7.245 1.00 1.00 H new ATOM 0 HB VAL A 67 4.581 2.307 5.660 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.740 2.214 6.853 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.361 2.299 7.975 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.196 0.750 7.708 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.501 1.130 4.645 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.944 -0.394 5.376 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.946 0.421 4.148 1.00 1.00 H new ATOM 1001 N VAL A 68 2.317 -1.050 5.498 1.00 1.00 N ATOM 1002 CA VAL A 68 1.407 -1.569 4.492 1.00 1.00 C ATOM 1003 C VAL A 68 0.087 -1.962 5.158 1.00 1.00 C ATOM 1004 O VAL A 68 -0.989 -1.590 4.695 1.00 1.00 O ATOM 1005 CB VAL A 68 2.064 -2.726 3.738 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.010 -3.658 3.136 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.017 -2.207 2.659 1.00 1.00 C ATOM 0 H VAL A 68 2.600 -1.727 6.207 1.00 1.00 H new ATOM 0 HA VAL A 68 1.181 -0.803 3.750 1.00 1.00 H new ATOM 0 HB VAL A 68 2.650 -3.302 4.454 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.504 -4.472 2.606 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.389 -4.068 3.933 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.384 -3.099 2.440 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.471 -3.050 2.138 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.462 -1.596 1.947 1.00 1.00 H new ATOM 0 HG23 VAL A 68 3.798 -1.604 3.123 1.00 1.00 H new ATOM 1017 N HIS A 69 0.211 -2.720 6.249 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.935 -3.193 7.018 1.00 1.00 C ATOM 1019 C HIS A 69 -1.293 -2.163 8.106 1.00 1.00 C ATOM 1020 O HIS A 69 -2.378 -1.585 8.077 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.626 -4.598 7.556 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.173 -5.627 6.547 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.114 -5.816 6.240 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.884 -6.522 5.783 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.202 -6.790 5.320 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.003 -7.260 5.002 1.00 1.00 N ATOM 0 H HIS A 69 1.111 -3.022 6.622 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.824 -3.285 6.394 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.146 -4.507 8.320 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.520 -4.977 8.050 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.901 -5.304 6.639 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.958 -6.634 5.789 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.128 -7.146 4.894 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.363 -1.968 9.030 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.572 -1.022 10.113 1.00 1.00 C ATOM 1036 C ALA A 70 -1.881 -0.265 9.878 1.00 1.00 C ATOM 1037 O ALA A 70 -1.973 0.554 8.965 1.00 1.00 O ATOM 1038 CB ALA A 70 0.634 -0.085 10.212 1.00 1.00 C ATOM 0 H ALA A 70 0.536 -2.449 9.051 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.659 -1.543 11.066 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.478 0.625 11.024 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.533 -0.669 10.408 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.751 0.457 9.274 1.00 1.00 H new ATOM 1044 N ARG A 71 -2.860 -0.566 10.719 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.159 0.075 10.614 1.00 1.00 C ATOM 1046 C ARG A 71 -4.316 1.137 11.705 1.00 1.00 C ATOM 1047 O ARG A 71 -5.429 1.568 12.001 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.290 -0.947 10.741 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.004 -2.190 9.896 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.166 -3.204 10.677 1.00 1.00 C ATOM 1051 NE ARG A 71 -4.493 -4.578 10.235 1.00 1.00 N ATOM 1052 CZ ARG A 71 -4.011 -5.695 10.819 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.175 -5.610 11.875 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -4.369 -6.873 10.341 1.00 1.00 N ATOM 0 H ARG A 71 -2.779 -1.245 11.476 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.218 0.545 9.632 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -5.411 -1.233 11.786 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -6.230 -0.496 10.424 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.944 -2.649 9.589 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -4.478 -1.902 8.986 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -3.105 -3.007 10.523 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.358 -3.101 11.745 1.00 1.00 H new ATOM 0 HE ARG A 71 -5.122 -4.688 9.439 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -2.903 -4.696 12.238 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -2.815 -6.459 12.310 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -5.001 -6.929 9.542 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -4.014 -7.727 10.771 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.184 1.528 12.272 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.182 2.532 13.323 1.00 1.00 C ATOM 1066 C GLY A 72 -2.835 3.912 12.763 1.00 1.00 C ATOM 1067 O GLY A 72 -2.612 4.061 11.562 1.00 1.00 O ATOM 0 H GLY A 72 -2.262 1.168 12.024 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.161 2.565 13.801 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -2.461 2.256 14.093 1.00 1.00 H new ATOM 1071 N GLU A 73 -2.800 4.888 13.659 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.484 6.251 13.269 1.00 1.00 C ATOM 1073 C GLU A 73 -1.002 6.371 12.910 1.00 1.00 C ATOM 1074 O GLU A 73 -0.163 6.578 13.785 1.00 1.00 O ATOM 1075 CB GLU A 73 -2.863 7.239 14.374 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.226 7.877 14.097 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.454 9.095 14.994 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -4.974 8.953 16.111 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -4.069 10.220 14.494 1.00 1.00 O ATOM 0 H GLU A 73 -2.985 4.761 14.654 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.072 6.501 12.386 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -2.887 6.724 15.334 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.102 8.016 14.448 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.286 8.175 13.050 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.015 7.144 14.265 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.725 6.234 11.621 1.00 1.00 N ATOM 1088 CA LEU A 74 0.642 6.325 11.136 1.00 1.00 C ATOM 1089 C LEU A 74 0.894 7.732 10.593 1.00 1.00 C ATOM 1090 O LEU A 74 -0.042 8.426 10.198 1.00 1.00 O ATOM 1091 CB LEU A 74 0.925 5.214 10.122 1.00 1.00 C ATOM 1092 CG LEU A 74 0.689 3.784 10.611 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.731 2.793 9.446 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.679 3.412 11.717 1.00 1.00 C ATOM 0 H LEU A 74 -1.424 6.061 10.898 1.00 1.00 H new ATOM 0 HA LEU A 74 1.347 6.168 11.952 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.302 5.384 9.244 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.962 5.300 9.799 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.310 3.731 11.043 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.560 1.784 9.821 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.044 3.048 8.723 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.707 2.841 8.963 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.489 2.391 12.047 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.697 3.487 11.334 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.557 4.093 12.559 1.00 1.00 H new ATOM 1106 N LYS A 75 2.163 8.113 10.590 1.00 1.00 N ATOM 1107 CA LYS A 75 2.550 9.425 10.101 1.00 1.00 C ATOM 1108 C LYS A 75 1.783 9.731 8.813 1.00 1.00 C ATOM 1109 O LYS A 75 1.528 10.893 8.499 1.00 1.00 O ATOM 1110 CB LYS A 75 4.069 9.514 9.949 1.00 1.00 C ATOM 1111 CG LYS A 75 4.696 10.262 11.127 1.00 1.00 C ATOM 1112 CD LYS A 75 4.722 11.769 10.869 1.00 1.00 C ATOM 1113 CE LYS A 75 5.309 12.521 12.066 1.00 1.00 C ATOM 1114 NZ LYS A 75 4.621 13.818 12.252 1.00 1.00 N ATOM 0 H LYS A 75 2.937 7.535 10.919 1.00 1.00 H new ATOM 0 HA LYS A 75 2.280 10.196 10.823 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.491 8.511 9.885 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.315 10.024 9.018 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.131 10.055 12.036 1.00 1.00 H new ATOM 0 HG3 LYS A 75 5.711 9.900 11.293 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.313 11.979 9.978 1.00 1.00 H new ATOM 0 HD3 LYS A 75 3.711 12.125 10.672 1.00 1.00 H new ATOM 0 HE2 LYS A 75 5.208 11.917 12.968 1.00 1.00 H new ATOM 0 HE3 LYS A 75 6.375 12.687 11.911 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 5.032 14.315 13.068 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 4.739 14.399 11.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 3.608 13.653 12.421 1.00 1.00 H new ATOM 1127 N HIS A 76 1.439 8.669 8.100 1.00 1.00 N ATOM 1128 CA HIS A 76 0.707 8.809 6.853 1.00 1.00 C ATOM 1129 C HIS A 76 -0.573 7.973 6.912 1.00 1.00 C ATOM 1130 O HIS A 76 -1.214 7.885 7.958 1.00 1.00 O ATOM 1131 CB HIS A 76 1.594 8.451 5.659 1.00 1.00 C ATOM 1132 CG HIS A 76 3.009 8.969 5.768 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.305 10.264 6.157 1.00 1.00 N ATOM 1134 CD2 HIS A 76 4.204 8.353 5.537 1.00 1.00 C ATOM 1135 CE1 HIS A 76 4.622 10.410 6.155 1.00 1.00 C ATOM 1136 NE2 HIS A 76 5.177 9.225 5.770 1.00 1.00 N ATOM 0 H HIS A 76 1.654 7.707 8.362 1.00 1.00 H new ATOM 0 HA HIS A 76 0.414 9.850 6.715 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.622 7.367 5.553 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.141 8.849 4.751 1.00 1.00 H new ATOM 0 HD1 HIS A 76 2.625 10.983 6.403 1.00 1.00 H new ATOM 0 HD2 HIS A 76 4.336 7.329 5.219 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.161 11.309 6.413 1.00 1.00 H new ATOM 1144 N THR A 77 -0.907 7.380 5.775 1.00 1.00 N ATOM 1145 CA THR A 77 -2.099 6.554 5.685 1.00 1.00 C ATOM 1146 C THR A 77 -1.770 5.214 5.024 1.00 1.00 C ATOM 1147 O THR A 77 -1.561 5.149 3.814 1.00 1.00 O ATOM 1148 CB THR A 77 -3.171 7.352 4.939 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.163 8.626 5.577 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.582 6.817 5.195 1.00 1.00 C ATOM 0 H THR A 77 -0.373 7.455 4.909 1.00 1.00 H new ATOM 0 HA THR A 77 -2.485 6.307 6.674 1.00 1.00 H new ATOM 0 HB THR A 77 -2.962 7.329 3.870 1.00 1.00 H new ATOM 0 HG1 THR A 77 -3.829 9.208 5.154 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.305 7.418 4.643 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.644 5.780 4.864 1.00 1.00 H new ATOM 0 HG23 THR A 77 -4.804 6.871 6.261 1.00 1.00 H new ATOM 1158 N SER A 78 -1.735 4.177 5.848 1.00 1.00 N ATOM 1159 CA SER A 78 -1.435 2.842 5.360 1.00 1.00 C ATOM 1160 C SER A 78 -2.564 2.352 4.451 1.00 1.00 C ATOM 1161 O SER A 78 -3.643 2.942 4.422 1.00 1.00 O ATOM 1162 CB SER A 78 -1.224 1.866 6.519 1.00 1.00 C ATOM 1163 OG SER A 78 -1.397 2.495 7.785 1.00 1.00 O ATOM 0 H SER A 78 -1.910 4.235 6.851 1.00 1.00 H new ATOM 0 HA SER A 78 -0.509 2.887 4.787 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.926 1.037 6.427 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.221 1.443 6.459 1.00 1.00 H new ATOM 0 HG SER A 78 -1.863 1.884 8.393 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.276 1.278 3.731 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.254 0.701 2.823 1.00 1.00 C ATOM 1171 C CYS A 79 -4.458 0.239 3.645 1.00 1.00 C ATOM 1172 O CYS A 79 -5.548 0.796 3.524 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.655 -0.439 1.997 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.020 -0.076 1.259 1.00 1.00 S ATOM 0 H CYS A 79 -1.380 0.792 3.758 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.575 1.454 2.103 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.564 -1.320 2.632 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.350 -0.694 1.197 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.221 -0.776 4.464 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.273 -1.319 5.306 1.00 1.00 C ATOM 1181 C LEU A 80 -5.995 -0.173 6.017 1.00 1.00 C ATOM 1182 O LEU A 80 -7.146 -0.319 6.427 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.706 -2.374 6.259 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.813 -3.827 5.791 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.159 -4.434 6.192 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.558 -3.939 4.287 1.00 1.00 C ATOM 0 H LEU A 80 -3.316 -1.236 4.562 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.016 -1.837 4.700 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.655 -2.147 6.437 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.218 -2.283 7.217 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.037 -4.406 6.292 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.209 -5.467 5.848 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.261 -4.408 7.277 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.967 -3.860 5.738 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.640 -4.982 3.981 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.295 -3.343 3.748 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.557 -3.572 4.059 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.290 0.942 6.141 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.849 2.112 6.795 1.00 1.00 C ATOM 1200 C ALA A 81 -7.040 2.625 5.983 1.00 1.00 C ATOM 1201 O ALA A 81 -8.186 2.508 6.415 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.759 3.173 6.963 1.00 1.00 C ATOM 0 H ALA A 81 -4.336 1.059 5.799 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.213 1.857 7.790 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.179 4.051 7.454 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -3.949 2.770 7.571 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.372 3.455 5.984 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.729 3.181 4.822 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.760 3.711 3.945 1.00 1.00 C ATOM 1210 C CYS A 82 -8.835 2.638 3.763 1.00 1.00 C ATOM 1211 O CYS A 82 -10.012 2.875 4.023 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.181 4.173 2.606 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.521 4.799 1.528 1.00 1.00 S ATOM 0 H CYS A 82 -5.777 3.276 4.467 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.206 4.597 4.398 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.440 4.955 2.771 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.667 3.345 2.118 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.389 1.465 3.313 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.265 0.323 3.077 1.00 1.00 C ATOM 1220 C HIS A 83 -10.230 0.154 4.265 1.00 1.00 C ATOM 1221 O HIS A 83 -11.318 -0.398 4.104 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.402 -0.914 2.784 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.892 -1.066 1.369 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.660 -2.258 0.812 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.576 -0.130 0.414 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.217 -2.073 -0.441 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.146 -0.776 -0.739 1.00 1.00 N ATOM 0 H HIS A 83 -7.408 1.282 3.102 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.896 0.478 2.202 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.543 -0.897 3.455 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -8.984 -1.802 3.033 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.797 -3.161 1.265 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.650 0.940 0.540 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.953 -2.871 -1.119 1.00 1.00 H new ATOM 1235 N SER A 84 -9.797 0.636 5.420 1.00 1.00 N ATOM 1236 CA SER A 84 -10.610 0.544 6.622 1.00 1.00 C ATOM 1237 C SER A 84 -11.923 1.304 6.425 1.00 1.00 C ATOM 1238 O SER A 84 -12.998 0.778 6.708 1.00 1.00 O ATOM 1239 CB SER A 84 -9.858 1.088 7.838 1.00 1.00 C ATOM 1240 OG SER A 84 -10.344 0.533 9.057 1.00 1.00 O ATOM 0 H SER A 84 -8.894 1.092 5.550 1.00 1.00 H new ATOM 0 HA SER A 84 -10.831 -0.507 6.806 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.796 0.866 7.737 1.00 1.00 H new ATOM 0 HB3 SER A 84 -9.956 2.173 7.869 1.00 1.00 H new ATOM 0 HG SER A 84 -9.838 0.904 9.810 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.792 2.531 5.942 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.955 3.370 5.705 1.00 1.00 C ATOM 1248 C LYS A 85 -13.755 2.804 4.530 1.00 1.00 C ATOM 1249 O LYS A 85 -14.985 2.839 4.538 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.534 4.829 5.516 1.00 1.00 C ATOM 1251 CG LYS A 85 -11.926 5.395 6.800 1.00 1.00 C ATOM 1252 CD LYS A 85 -12.979 6.138 7.624 1.00 1.00 C ATOM 1253 CE LYS A 85 -13.786 5.166 8.487 1.00 1.00 C ATOM 1254 NZ LYS A 85 -14.314 5.853 9.687 1.00 1.00 N ATOM 0 H LYS A 85 -10.899 2.964 5.708 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.614 3.363 6.573 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.810 4.900 4.704 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.398 5.426 5.225 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -11.500 4.585 7.393 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -11.109 6.072 6.552 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -12.493 6.877 8.260 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -13.649 6.682 6.959 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -14.610 4.752 7.906 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -13.156 4.329 8.788 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -14.859 5.179 10.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -13.523 6.227 10.249 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -14.932 6.637 9.395 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.025 2.294 3.549 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.652 1.721 2.370 1.00 1.00 C ATOM 1269 C VAL A 86 -14.616 0.613 2.798 1.00 1.00 C ATOM 1270 O VAL A 86 -15.721 0.507 2.268 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.580 1.237 1.391 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.213 0.517 0.198 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.697 2.397 0.927 1.00 1.00 C ATOM 0 H VAL A 86 -12.005 2.266 3.546 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.237 2.475 1.843 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.945 0.523 1.915 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.430 0.183 -0.483 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.778 -0.345 0.552 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.882 1.200 -0.326 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -10.944 2.026 0.232 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.312 3.146 0.429 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.205 2.847 1.789 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.162 -0.186 3.753 1.00 1.00 N ATOM 1284 CA VAL A 87 -14.971 -1.282 4.258 1.00 1.00 C ATOM 1285 C VAL A 87 -16.326 -0.741 4.718 1.00 1.00 C ATOM 1286 O VAL A 87 -17.305 -1.483 4.783 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.216 -2.023 5.363 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.083 -3.126 5.975 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -12.895 -2.591 4.839 1.00 1.00 C ATOM 0 H VAL A 87 -13.245 -0.096 4.190 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.163 -2.010 3.470 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.983 -1.305 6.149 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.523 -3.637 6.758 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.984 -2.686 6.402 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.361 -3.842 5.201 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.378 -3.113 5.645 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.096 -3.288 4.025 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.269 -1.777 4.473 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.339 0.547 5.027 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.557 1.196 5.479 1.00 1.00 C ATOM 1301 C ALA A 88 -18.354 1.680 4.266 1.00 1.00 C ATOM 1302 O ALA A 88 -19.290 2.466 4.406 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.204 2.336 6.437 1.00 1.00 C ATOM 0 H ALA A 88 -15.525 1.159 4.973 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.185 0.493 6.026 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.118 2.823 6.776 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.666 1.936 7.296 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.576 3.063 5.922 1.00 1.00 H new ATOM 1309 N GLU A 89 -17.953 1.190 3.102 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.618 1.562 1.865 1.00 1.00 C ATOM 1311 C GLU A 89 -19.263 0.335 1.219 1.00 1.00 C ATOM 1312 O GLU A 89 -20.344 0.430 0.639 1.00 1.00 O ATOM 1313 CB GLU A 89 -17.642 2.240 0.900 1.00 1.00 C ATOM 1314 CG GLU A 89 -18.284 3.459 0.236 1.00 1.00 C ATOM 1315 CD GLU A 89 -18.702 3.144 -1.202 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -19.785 2.583 -1.424 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -17.855 3.504 -2.106 1.00 1.00 O ATOM 0 H GLU A 89 -17.176 0.539 2.990 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.404 2.280 2.100 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -16.745 2.546 1.439 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.328 1.529 0.136 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -19.155 3.774 0.811 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -17.581 4.292 0.240 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.574 -0.790 1.340 1.00 1.00 N ATOM 1326 CA LYS A 90 -19.066 -2.035 0.775 1.00 1.00 C ATOM 1327 C LYS A 90 -19.000 -3.133 1.838 1.00 1.00 C ATOM 1328 O LYS A 90 -18.251 -4.102 1.730 1.00 1.00 O ATOM 1329 CB LYS A 90 -18.310 -2.376 -0.510 1.00 1.00 C ATOM 1330 CG LYS A 90 -19.259 -2.938 -1.571 1.00 1.00 C ATOM 1331 CD LYS A 90 -19.135 -2.162 -2.884 1.00 1.00 C ATOM 1332 CE LYS A 90 -19.770 -2.936 -4.041 1.00 1.00 C ATOM 1333 NZ LYS A 90 -19.912 -2.067 -5.230 1.00 1.00 N ATOM 0 H LYS A 90 -17.678 -0.865 1.822 1.00 1.00 H new ATOM 0 HA LYS A 90 -20.112 -1.935 0.484 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.817 -1.483 -0.894 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -17.528 -3.104 -0.294 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -19.035 -3.991 -1.744 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -20.286 -2.886 -1.209 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -19.618 -1.190 -2.783 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -18.084 -1.974 -3.101 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -19.156 -3.802 -4.288 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -20.747 -3.314 -3.741 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -20.345 -2.608 -6.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -20.517 -1.254 -4.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -18.975 -1.727 -5.526 1.00 1.00 H new ATOM 1346 N PRO A 91 -19.813 -2.958 2.882 1.00 1.00 N ATOM 1347 CA PRO A 91 -19.915 -3.872 4.000 1.00 1.00 C ATOM 1348 C PRO A 91 -20.046 -5.298 3.483 1.00 1.00 C ATOM 1349 O PRO A 91 -19.751 -6.229 4.230 1.00 1.00 O ATOM 1350 CB PRO A 91 -21.177 -3.442 4.744 1.00 1.00 C ATOM 1351 CG PRO A 91 -21.344 -2.025 4.416 1.00 1.00 C ATOM 1352 CD PRO A 91 -20.707 -1.831 3.042 1.00 1.00 C ATOM 0 HA PRO A 91 -19.040 -3.847 4.649 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -22.041 -4.025 4.426 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -21.071 -3.589 5.819 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -22.399 -1.751 4.399 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -20.862 -1.393 5.162 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -21.462 -1.811 2.256 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -20.165 -0.887 2.988 1.00 1.00 H new ATOM 1360 N GLU A 92 -20.478 -5.441 2.239 1.00 1.00 N ATOM 1361 CA GLU A 92 -20.639 -6.759 1.650 1.00 1.00 C ATOM 1362 C GLU A 92 -19.311 -7.246 1.066 1.00 1.00 C ATOM 1363 O GLU A 92 -19.296 -8.026 0.115 1.00 1.00 O ATOM 1364 CB GLU A 92 -21.737 -6.753 0.584 1.00 1.00 C ATOM 1365 CG GLU A 92 -21.353 -5.855 -0.594 1.00 1.00 C ATOM 1366 CD GLU A 92 -22.501 -4.912 -0.961 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -23.168 -4.370 -0.067 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -22.689 -4.750 -2.227 1.00 1.00 O ATOM 0 H GLU A 92 -20.722 -4.666 1.623 1.00 1.00 H new ATOM 0 HA GLU A 92 -20.944 -7.451 2.435 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -21.910 -7.769 0.230 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -22.672 -6.404 1.022 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -20.467 -5.273 -0.339 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -21.093 -6.470 -1.455 1.00 1.00 H new ATOM 1376 N LEU A 93 -18.229 -6.766 1.661 1.00 1.00 N ATOM 1377 CA LEU A 93 -16.899 -7.143 1.212 1.00 1.00 C ATOM 1378 C LEU A 93 -16.038 -7.500 2.425 1.00 1.00 C ATOM 1379 O LEU A 93 -15.770 -8.674 2.677 1.00 1.00 O ATOM 1380 CB LEU A 93 -16.299 -6.044 0.333 1.00 1.00 C ATOM 1381 CG LEU A 93 -16.821 -5.973 -1.104 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -16.161 -4.827 -1.871 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -16.647 -7.316 -1.817 1.00 1.00 C ATOM 0 H LEU A 93 -18.246 -6.120 2.450 1.00 1.00 H new ATOM 0 HA LEU A 93 -16.947 -8.032 0.583 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -16.482 -5.082 0.813 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -15.218 -6.183 0.299 1.00 1.00 H new ATOM 0 HG LEU A 93 -17.890 -5.763 -1.069 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -16.550 -4.799 -2.889 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -16.380 -3.882 -1.373 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -15.082 -4.981 -1.899 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -17.026 -7.239 -2.836 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -15.590 -7.580 -1.842 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.201 -8.087 -1.282 1.00 1.00 H new ATOM 1395 N LYS A 94 -15.627 -6.465 3.144 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.802 -6.654 4.324 1.00 1.00 C ATOM 1397 C LYS A 94 -13.967 -7.926 4.159 1.00 1.00 C ATOM 1398 O LYS A 94 -14.112 -8.872 4.931 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.664 -6.645 5.588 1.00 1.00 C ATOM 1400 CG LYS A 94 -14.807 -6.857 6.838 1.00 1.00 C ATOM 1401 CD LYS A 94 -15.501 -7.799 7.824 1.00 1.00 C ATOM 1402 CE LYS A 94 -15.886 -7.061 9.108 1.00 1.00 C ATOM 1403 NZ LYS A 94 -16.288 -8.023 10.158 1.00 1.00 N ATOM 0 H LYS A 94 -15.851 -5.493 2.931 1.00 1.00 H new ATOM 0 HA LYS A 94 -14.103 -5.825 4.436 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.195 -5.696 5.664 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -16.419 -7.429 5.523 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -13.839 -7.270 6.554 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -14.615 -5.898 7.319 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -16.393 -8.222 7.362 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -14.840 -8.632 8.063 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -15.044 -6.463 9.457 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -16.705 -6.371 8.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -16.546 -7.506 11.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -17.105 -8.575 9.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -15.496 -8.665 10.362 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.112 -7.907 3.147 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.254 -9.047 2.871 1.00 1.00 C ATOM 1418 C LYS A 95 -11.429 -8.766 1.614 1.00 1.00 C ATOM 1419 O LYS A 95 -10.200 -8.742 1.666 1.00 1.00 O ATOM 1420 CB LYS A 95 -13.081 -10.332 2.789 1.00 1.00 C ATOM 1421 CG LYS A 95 -12.449 -11.444 3.628 1.00 1.00 C ATOM 1422 CD LYS A 95 -13.099 -11.523 5.011 1.00 1.00 C ATOM 1423 CE LYS A 95 -12.998 -12.938 5.584 1.00 1.00 C ATOM 1424 NZ LYS A 95 -14.183 -13.738 5.202 1.00 1.00 N ATOM 0 H LYS A 95 -12.995 -7.120 2.508 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.549 -9.200 3.688 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -14.095 -10.139 3.139 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -13.158 -10.654 1.750 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -12.560 -12.399 3.115 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -11.380 -11.261 3.734 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -12.613 -10.818 5.686 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -14.146 -11.229 4.942 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -12.092 -13.421 5.218 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -12.918 -12.892 6.670 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -14.098 -14.695 5.599 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -15.042 -13.284 5.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -14.242 -13.797 4.165 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.137 -8.559 0.513 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.485 -8.280 -0.755 1.00 1.00 C ATOM 1439 C ASP A 96 -10.521 -7.106 -0.581 1.00 1.00 C ATOM 1440 O ASP A 96 -9.603 -6.927 -1.380 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.507 -7.897 -1.827 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.195 -8.415 -3.233 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -11.747 -7.658 -4.107 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.433 -9.669 -3.417 1.00 1.00 O ATOM 0 H ASP A 96 -13.156 -8.579 0.473 1.00 1.00 H new ATOM 0 HA ASP A 96 -10.955 -9.180 -1.066 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.485 -8.273 -1.526 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.581 -6.810 -1.865 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.761 -6.335 0.470 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.925 -5.183 0.760 1.00 1.00 C ATOM 1452 C LEU A 97 -9.127 -5.446 2.038 1.00 1.00 C ATOM 1453 O LEU A 97 -7.993 -4.988 2.171 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.770 -3.908 0.814 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.592 -3.595 -0.438 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -12.099 -2.151 -0.414 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.795 -3.901 -1.708 1.00 1.00 C ATOM 0 H LEU A 97 -11.523 -6.486 1.131 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.202 -5.026 -0.041 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.451 -3.982 1.662 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -10.108 -3.065 1.010 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.468 -4.244 -0.443 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.680 -1.954 -1.315 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.728 -2.001 0.463 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.250 -1.468 -0.373 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.402 -3.670 -2.583 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.889 -3.295 -1.724 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.525 -4.957 -1.723 1.00 1.00 H new ATOM 1469 N THR A 98 -9.751 -6.182 2.947 1.00 1.00 N ATOM 1470 CA THR A 98 -9.113 -6.511 4.210 1.00 1.00 C ATOM 1471 C THR A 98 -9.154 -8.021 4.450 1.00 1.00 C ATOM 1472 O THR A 98 -9.675 -8.478 5.467 1.00 1.00 O ATOM 1473 CB THR A 98 -9.799 -5.701 5.312 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.969 -6.455 5.618 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.340 -4.363 4.804 1.00 1.00 C ATOM 0 H THR A 98 -10.692 -6.559 2.833 1.00 1.00 H new ATOM 0 HA THR A 98 -8.056 -6.244 4.201 1.00 1.00 H new ATOM 0 HB THR A 98 -9.095 -5.523 6.124 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.714 -7.284 6.074 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.817 -3.828 5.625 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.519 -3.765 4.409 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.070 -4.542 4.015 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.598 -8.755 3.498 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.564 -10.205 3.593 1.00 1.00 C ATOM 1485 C GLY A 99 -7.124 -10.717 3.663 1.00 1.00 C ATOM 1486 O GLY A 99 -6.303 -10.387 2.808 1.00 1.00 O ATOM 0 H GLY A 99 -8.167 -8.373 2.656 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.112 -10.528 4.478 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.067 -10.641 2.730 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.862 -11.514 4.688 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.536 -12.074 4.880 1.00 1.00 C ATOM 1492 C CYS A 100 -5.295 -13.123 3.792 1.00 1.00 C ATOM 1493 O CYS A 100 -4.158 -13.337 3.373 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.366 -12.660 6.284 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.595 -11.461 7.648 1.00 1.00 S ATOM 0 H CYS A 100 -7.546 -11.785 5.394 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.790 -11.284 4.794 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.079 -13.475 6.411 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.369 -13.094 6.363 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.383 -13.747 3.365 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.304 -14.767 2.334 1.00 1.00 C ATOM 1502 C ALA A 101 -7.582 -14.737 1.494 1.00 1.00 C ATOM 1503 O ALA A 101 -8.586 -14.158 1.906 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.065 -16.132 2.983 1.00 1.00 C ATOM 0 H ALA A 101 -7.324 -13.566 3.714 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.465 -14.572 1.666 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.006 -16.897 2.209 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.131 -16.110 3.544 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.888 -16.363 3.659 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.504 -15.368 0.332 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.642 -15.421 -0.570 1.00 1.00 C ATOM 1512 C LYS A 102 -9.186 -14.006 -0.780 1.00 1.00 C ATOM 1513 O LYS A 102 -10.360 -13.744 -0.523 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.688 -16.412 -0.055 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.196 -17.853 -0.201 1.00 1.00 C ATOM 1516 CD LYS A 102 -9.781 -18.508 -1.453 1.00 1.00 C ATOM 1517 CE LYS A 102 -11.251 -18.878 -1.242 1.00 1.00 C ATOM 1518 NZ LYS A 102 -12.066 -18.444 -2.400 1.00 1.00 N ATOM 0 H LYS A 102 -6.670 -15.847 -0.006 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.337 -15.795 -1.548 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.908 -16.203 0.992 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.619 -16.284 -0.608 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -8.107 -17.866 -0.255 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -9.478 -18.429 0.681 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -9.691 -17.827 -2.300 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -9.209 -19.402 -1.701 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -11.345 -19.955 -1.107 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -11.623 -18.409 -0.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -13.061 -18.703 -2.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -11.990 -17.413 -2.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -11.721 -18.912 -3.262 1.00 1.00 H new ATOM 1531 N SER A 103 -8.307 -13.132 -1.246 1.00 1.00 N ATOM 1532 CA SER A 103 -8.685 -11.750 -1.494 1.00 1.00 C ATOM 1533 C SER A 103 -8.016 -11.247 -2.775 1.00 1.00 C ATOM 1534 O SER A 103 -7.700 -12.034 -3.665 1.00 1.00 O ATOM 1535 CB SER A 103 -8.308 -10.856 -0.312 1.00 1.00 C ATOM 1536 OG SER A 103 -6.926 -10.508 -0.324 1.00 1.00 O ATOM 0 H SER A 103 -7.334 -13.353 -1.459 1.00 1.00 H new ATOM 0 HA SER A 103 -9.767 -11.707 -1.616 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.911 -9.948 -0.338 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.544 -11.369 0.620 1.00 1.00 H new ATOM 0 HG SER A 103 -6.599 -10.435 0.597 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.819 -9.938 -2.826 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.194 -9.320 -3.983 1.00 1.00 C ATOM 1544 C LYS A 104 -5.767 -8.899 -3.622 1.00 1.00 C ATOM 1545 O LYS A 104 -5.153 -8.104 -4.332 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.058 -8.173 -4.511 1.00 1.00 C ATOM 1547 CG LYS A 104 -7.742 -7.879 -5.979 1.00 1.00 C ATOM 1548 CD LYS A 104 -8.328 -8.957 -6.892 1.00 1.00 C ATOM 1549 CE LYS A 104 -7.258 -9.972 -7.300 1.00 1.00 C ATOM 1550 NZ LYS A 104 -7.285 -10.195 -8.762 1.00 1.00 N ATOM 0 H LYS A 104 -8.081 -9.288 -2.085 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.119 -10.035 -4.802 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -9.112 -8.429 -4.407 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.887 -7.278 -3.912 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -8.147 -6.905 -6.254 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -6.662 -7.826 -6.119 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -9.143 -9.469 -6.380 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -8.752 -8.493 -7.782 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -6.274 -9.612 -6.999 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -7.426 -10.915 -6.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -6.553 -10.886 -9.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -8.219 -10.559 -9.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -7.103 -9.297 -9.254 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.283 -9.452 -2.520 1.00 1.00 N ATOM 1564 CA CYS A 105 -3.940 -9.144 -2.057 1.00 1.00 C ATOM 1565 C CYS A 105 -3.208 -10.462 -1.796 1.00 1.00 C ATOM 1566 O CYS A 105 -2.103 -10.678 -2.288 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.961 -8.248 -0.817 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.480 -6.542 -1.271 1.00 1.00 S ATOM 0 H CYS A 105 -5.796 -10.111 -1.934 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.409 -8.580 -2.823 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.957 -8.248 -0.375 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.277 -8.639 -0.064 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.860 -11.323 -1.013 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.321 -12.630 -0.652 1.00 1.00 C ATOM 1575 C HIS A 106 -4.254 -13.739 -1.171 1.00 1.00 C ATOM 1576 O HIS A 106 -5.093 -14.269 -0.447 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.078 -12.666 0.864 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.041 -11.712 1.409 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.779 -11.693 0.970 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.124 -10.739 2.377 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.101 -10.746 1.638 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.885 -10.126 2.519 1.00 1.00 N ATOM 0 H HIS A 106 -4.778 -11.131 -0.612 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.357 -12.809 -1.127 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.024 -12.462 1.365 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.785 -13.680 1.137 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.394 -12.299 0.246 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.012 -10.490 2.939 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.943 -10.517 1.482 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.084 -14.076 -2.451 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.852 -15.094 -3.136 1.00 1.00 C ATOM 1592 C PRO A 107 -4.651 -16.436 -2.446 1.00 1.00 C ATOM 1593 O PRO A 107 -5.610 -17.173 -2.228 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.290 -15.120 -4.556 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.577 -13.824 -4.742 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.107 -13.473 -3.332 1.00 1.00 C ATOM 0 HA PRO A 107 -5.923 -14.891 -3.133 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -3.610 -15.962 -4.691 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.088 -15.234 -5.289 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.739 -13.922 -5.432 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.237 -13.057 -5.148 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.108 -13.864 -3.140 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.060 -12.393 -3.189 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.574 2.911 -7.655 1.00 1.00 C HETATM 1606 CHB HEM A 233 3.003 6.888 -9.988 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.853 7.115 -7.022 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.554 2.935 -4.905 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.479 3.985 -8.534 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.460 4.294 -9.547 1.00 1.00 C HETATM 1611 C3A HEM A 233 5.028 5.396 -10.196 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.775 5.780 -9.590 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.689 6.117 -11.333 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.714 3.507 -9.797 1.00 1.00 C HETATM 1615 CBA HEM A 233 7.998 4.309 -9.611 1.00 1.00 C HETATM 1616 CGA HEM A 233 9.200 3.390 -9.450 1.00 1.00 C HETATM 1617 O1A HEM A 233 9.267 2.404 -10.215 1.00 1.00 O HETATM 1618 O2A HEM A 233 10.030 3.690 -8.564 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.838 7.305 -9.354 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.123 8.516 -9.685 1.00 1.00 C HETATM 1621 C3B HEM A 233 0.053 8.581 -8.865 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.095 7.413 -8.017 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.531 9.490 -10.752 1.00 1.00 C HETATM 1624 CAB HEM A 233 -1.004 9.646 -8.808 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.705 9.896 -10.140 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.816 5.973 -6.175 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.720 5.720 -5.079 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.319 4.575 -4.488 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.161 4.107 -5.214 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.879 6.597 -4.702 1.00 1.00 C HETATM 1631 CAC HEM A 233 -1.927 3.883 -3.303 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.435 3.677 -3.412 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.787 2.596 -5.453 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.591 1.481 -5.013 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.706 1.471 -5.773 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.603 2.581 -6.691 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.216 0.534 -3.910 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.858 0.511 -5.711 1.00 1.00 C HETATM 1639 CBD HEM A 233 6.101 1.075 -5.028 1.00 1.00 C HETATM 1640 CGD HEM A 233 6.191 2.583 -5.214 1.00 1.00 C HETATM 1641 O1D HEM A 233 6.873 2.996 -6.177 1.00 1.00 O HETATM 1642 O2D HEM A 233 5.578 3.295 -4.390 1.00 1.00 O HETATM 1643 NA HEM A 233 3.446 4.906 -8.569 1.00 1.00 N HETATM 1644 NB HEM A 233 1.197 6.635 -8.327 1.00 1.00 N HETATM 1645 NC HEM A 233 0.140 4.975 -6.249 1.00 1.00 N HETATM 1646 ND HEM A 233 2.419 3.266 -6.486 1.00 1.00 N HETATM 1647 FE HEM A 233 1.745 4.994 -7.343 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 4.929 6.583 -11.959 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 6.264 5.408 -11.928 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 6.355 6.885 -10.939 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.616 9.479 -10.859 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.204 10.492 -10.474 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 1.070 9.207 -11.698 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.654 7.631 -4.965 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.055 6.526 -3.629 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.771 6.272 -5.238 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 1.601 1.055 -3.177 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 3.120 0.162 -3.427 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 1.655 -0.304 -4.325 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.490 10.649 -10.210 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.421 9.321 -11.022 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -3.977 3.184 -2.605 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -3.970 4.023 -4.297 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 7.906 4.950 -8.734 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 8.149 4.963 -10.470 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 6.687 3.114 -10.813 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 6.733 2.650 -9.124 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 6.992 0.601 -5.439 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 6.075 0.837 -3.965 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 5.119 0.207 -6.725 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 4.541 -0.387 -5.181 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.454 2.287 -7.717 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.339 7.453 -10.845 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.672 7.806 -6.891 1.00 1.00 H new HETATM 0 HHD HEM A 233 0.115 2.251 -4.193 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.249 10.192 -7.897 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.344 3.557 -2.442 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.433 6.826 6.905 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.540 4.320 3.891 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.700 5.023 0.252 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.711 7.352 3.341 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.372 6.089 6.388 1.00 1.00 C HETATM 1653 C2A HEM A 251 5.210 5.695 7.150 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.407 5.000 6.318 1.00 1.00 C HETATM 1655 C4A HEM A 251 5.062 4.957 5.032 1.00 1.00 C HETATM 1656 CMA HEM A 251 3.078 4.373 6.626 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.982 6.019 8.598 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.883 5.246 9.557 1.00 1.00 C HETATM 1659 CGA HEM A 251 5.074 4.277 10.407 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.967 3.105 9.986 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.578 4.726 11.463 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.184 4.255 2.660 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.729 3.455 1.548 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.603 3.648 0.537 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.608 4.569 1.014 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.506 2.586 1.558 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.576 3.042 -0.836 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.205 3.082 -1.505 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.828 5.724 0.788 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.091 5.893 0.109 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.926 6.510 0.972 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.187 6.730 2.193 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.378 5.448 -1.295 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.355 6.911 0.749 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.528 8.078 -0.219 1.00 1.00 C HETATM 1676 C1D HEM A 251 10.080 7.379 4.581 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.679 7.906 5.785 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.773 7.761 6.774 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.604 7.144 6.193 1.00 1.00 C HETATM 1680 CMD HEM A 251 12.057 8.495 5.872 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.909 8.153 8.217 1.00 1.00 C HETATM 1682 CBD HEM A 251 8.730 8.957 8.757 1.00 1.00 C HETATM 1683 CGD HEM A 251 9.204 10.211 9.477 1.00 1.00 C HETATM 1684 O1D HEM A 251 9.179 11.280 8.831 1.00 1.00 O HETATM 1685 O2D HEM A 251 9.584 10.076 10.660 1.00 1.00 O HETATM 1686 NA HEM A 251 6.270 5.631 5.086 1.00 1.00 N HETATM 1687 NB HEM A 251 6.341 4.936 2.321 1.00 1.00 N HETATM 1688 NC HEM A 251 8.898 6.242 2.069 1.00 1.00 N HETATM 1689 ND HEM A 251 8.804 6.913 4.844 1.00 1.00 N HETATM 1690 FE HEM A 251 7.617 5.897 3.613 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 3.050 4.077 7.675 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.936 3.494 5.997 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.282 5.092 6.430 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.327 2.222 2.570 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.656 1.739 0.889 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.645 3.165 1.223 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.122 6.108 -1.741 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.461 5.485 -1.883 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.760 4.427 -1.282 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.703 8.021 5.132 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.463 8.326 6.869 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 12.008 9.566 5.677 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.074 2.668 -2.505 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.357 3.524 -0.983 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.526 8.450 -0.452 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.654 8.540 -0.678 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.416 5.944 10.203 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.636 4.697 8.991 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.941 5.811 8.847 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 5.139 7.087 8.750 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 8.148 8.339 9.441 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 8.068 9.234 7.936 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 10.821 8.738 8.339 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 10.026 7.251 8.818 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.352 7.178 7.923 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.572 3.849 3.977 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.687 4.830 -0.810 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.669 7.842 3.254 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.457 2.612 -1.313 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.194 6.413 1.235 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.108 -1.493 -4.166 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.549 -2.706 -2.956 1.00 1.00 C HETATM 1693 CHC HEM A 282 -3.979 1.605 -0.762 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.612 2.736 -1.802 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.906 -2.181 -4.037 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.651 -3.483 -4.609 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.388 -3.822 -4.275 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.848 -2.734 -3.494 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.645 -5.078 -4.627 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.637 -4.275 -5.417 1.00 1.00 C HETATM 1701 CBA HEM A 282 -8.403 -4.206 -6.923 1.00 1.00 C HETATM 1702 CGA HEM A 282 -9.617 -3.635 -7.641 1.00 1.00 C HETATM 1703 O1A HEM A 282 -10.063 -4.288 -8.610 1.00 1.00 O HETATM 1704 O2A HEM A 282 -10.078 -2.557 -7.208 1.00 1.00 O HETATM 1705 C1B HEM A 282 -4.001 -1.625 -2.273 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.638 -1.571 -1.798 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.477 -0.377 -1.190 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.738 0.320 -1.281 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.624 -2.664 -1.973 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.242 0.165 -0.531 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.043 -0.091 -1.314 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.222 2.258 -0.802 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.512 3.510 -0.143 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.791 3.826 -0.437 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.306 2.773 -1.280 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.540 4.281 0.701 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.570 5.031 0.006 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.708 6.259 0.286 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.128 1.692 -2.562 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.445 1.692 -3.153 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.586 0.521 -3.809 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.357 -0.216 -3.631 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.440 2.810 -3.034 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.773 0.035 -4.589 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.571 0.049 -6.101 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.213 1.277 -6.729 1.00 1.00 C HETATM 1727 O1D HEM A 282 -13.456 1.375 -6.642 1.00 1.00 O HETATM 1728 O2D HEM A 282 -11.449 2.096 -7.284 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.790 -1.730 -3.354 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.669 -0.457 -1.949 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.332 1.814 -1.498 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.467 0.513 -2.862 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.581 0.124 -2.339 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -4.579 -4.862 -4.701 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -6.005 -5.458 -5.583 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -5.811 -5.828 -3.853 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.130 -3.629 -1.998 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.921 -2.645 -1.140 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -1.084 -2.513 -2.908 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -3.843 3.591 1.176 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.083 4.834 1.468 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -3.987 4.980 0.073 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -12.069 2.834 -3.924 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -10.912 3.759 -2.937 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -12.063 2.650 -2.154 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 0.998 0.261 -0.924 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.006 -0.626 -2.263 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.174 7.188 0.614 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.627 6.207 0.158 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -8.186 -5.203 -7.306 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -7.530 -3.587 -7.130 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -9.642 -3.915 -5.199 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -8.596 -5.317 -5.101 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -12.001 -0.853 -6.537 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.505 0.036 -6.329 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.635 0.655 -4.342 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -12.010 -0.981 -4.274 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.905 -1.972 -4.715 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.934 -3.585 -3.082 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.152 2.125 -0.301 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.259 3.577 -1.598 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.261 0.694 0.422 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.654 5.029 0.118 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.908 -8.949 2.891 1.00 1.00 C HETATM 1735 CHB HEM A 305 0.083 -10.947 6.319 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.760 -8.494 4.605 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.883 -6.368 1.251 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.466 -9.686 3.985 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.323 -10.501 4.813 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.543 -11.057 5.765 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.196 -10.591 5.535 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.953 -11.986 6.870 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.801 -10.670 4.616 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.609 -9.399 4.859 1.00 1.00 C HETATM 1745 CGA HEM A 305 6.333 -9.457 6.197 1.00 1.00 C HETATM 1746 O1A HEM A 305 5.747 -10.040 7.134 1.00 1.00 O HETATM 1747 O2A HEM A 305 7.458 -8.917 6.257 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.192 -10.411 6.169 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.284 -10.647 7.084 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.350 -9.968 6.612 1.00 1.00 C HETATM 1751 C4B HEM A 305 -2.930 -9.306 5.399 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.201 -11.496 8.319 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.729 -9.887 7.200 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.833 -8.969 8.414 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.351 -7.819 3.377 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.198 -7.159 2.411 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.385 -6.552 1.520 1.00 1.00 C HETATM 1758 C4C HEM A 305 -2.027 -6.829 1.926 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.698 -7.174 2.432 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.773 -5.735 0.323 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.251 -5.355 0.283 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.398 -6.880 1.429 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.553 -6.460 0.672 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.606 -7.173 1.124 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.113 -8.043 2.166 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.538 -5.418 -0.409 1.00 1.00 C HETATM 1767 CAD HEM A 305 4.033 -7.109 0.662 1.00 1.00 C HETATM 1768 CBD HEM A 305 4.938 -6.271 1.560 1.00 1.00 C HETATM 1769 CGD HEM A 305 4.263 -4.964 1.952 1.00 1.00 C HETATM 1770 O1D HEM A 305 3.670 -4.940 3.052 1.00 1.00 O HETATM 1771 O2D HEM A 305 4.353 -4.014 1.144 1.00 1.00 O HETATM 1772 NA HEM A 305 1.160 -9.748 4.437 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.600 -9.585 5.136 1.00 1.00 N HETATM 1774 NC HEM A 305 -2.018 -7.609 3.070 1.00 1.00 N HETATM 1775 ND HEM A 305 0.754 -7.854 2.346 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.478 -8.705 3.700 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 2.297 -11.842 7.728 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 3.982 -11.774 7.160 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 2.878 -13.017 6.525 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -2.895 -11.117 9.069 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.186 -11.464 8.715 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.461 -12.525 8.071 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.046 -8.104 2.882 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.077 -7.100 1.413 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -6.062 -6.329 3.017 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.564 -5.415 -0.898 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.311 -5.644 -1.143 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.728 -4.438 0.028 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.791 -8.838 8.918 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -3.950 -8.444 8.777 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.639 -4.761 -0.545 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.918 -5.677 1.082 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 4.947 -8.534 4.838 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 6.333 -9.266 4.056 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 4.984 -11.016 3.599 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 5.160 -11.450 5.287 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 5.874 -6.060 1.043 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 5.190 -6.837 2.457 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 4.059 -6.699 -0.348 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.432 -8.122 0.605 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.933 -9.082 2.577 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.229 -11.688 7.091 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.781 -8.359 4.930 1.00 1.00 H new HETATM 0 HHD HEM A 305 -1.008 -5.560 0.545 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.580 -10.435 6.796 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.063 -5.439 -0.449 1.00 1.00 H new