USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=32 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+ -146:sc= 1.64 (180deg=-0.0778) 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 -140:sc= 0.0666 USER MOD Single : A 15 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.0045) 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 -138:sc= 0 (180deg=-0.00159) USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= 1.92 (180deg=-1.27!) USER MOD Single : A 32 THR OG1 : rot -150:sc= -1.99! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 43 TYR OH : rot -4:sc= 0.907 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -160:sc= -0.409 USER MOD Single : A 49 SER OG : rot 180:sc=-0.00608 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -150:sc= 0 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+ 168:sc= 0 (180deg=-0.135) USER MOD Single : A 76 HIS : no HD1:sc= -3.22! K(o=-3.2!,f=-4.8) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0022 USER MOD Single : A 78 SER OG : rot 136:sc= -4.72! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= 0.783 (180deg=0.59) 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 -60:sc= 0.662 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 41:sc= -2.96 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 HEM CMA :methyl -30:sc= -4.62! (180deg=-9.07!) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -2.37 (180deg=-6.39!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -0.539 (180deg=-2.88!) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -0.344 (180deg=-0.344) USER MOD Single : A 251 HEM CMA :methyl -30:sc= -0.686 (180deg=-0.698) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -1.29 (180deg=-3.36!) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -0.588 (180deg=-0.588) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -10.6! (180deg=-11.9!) USER MOD Single : A 282 HEM CMA :methyl 150:sc= -1.36 (180deg=-1.36) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.65 (180deg=-3.85!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -7.18! (180deg=-8.5!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.133 (180deg=-0.133) USER MOD Single : A 305 HEM CMA :methyl -30:sc= -0.459 (180deg=-3.48!) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.223 (180deg=-0.223) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -7.14! (180deg=-8.78!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.292 (180deg=-0.921) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.250 13.258 -10.045 1.00 1.00 N ATOM 2 CA ALA A 1 4.058 12.535 -10.453 1.00 1.00 C ATOM 3 C ALA A 1 4.209 12.090 -11.909 1.00 1.00 C ATOM 4 O ALA A 1 3.661 12.685 -12.833 1.00 1.00 O ATOM 5 CB ALA A 1 2.827 13.418 -10.238 1.00 1.00 C ATOM 0 H1 ALA A 1 5.444 13.070 -9.041 1.00 1.00 H new ATOM 0 H2 ALA A 1 6.059 12.945 -10.618 1.00 1.00 H new ATOM 0 H3 ALA A 1 5.102 14.278 -10.183 1.00 1.00 H new ATOM 0 HA ALA A 1 3.927 11.639 -9.847 1.00 1.00 H new ATOM 0 HB1 ALA A 1 1.932 12.876 -10.544 1.00 1.00 H new ATOM 0 HB2 ALA A 1 2.748 13.682 -9.183 1.00 1.00 H new ATOM 0 HB3 ALA A 1 2.922 14.326 -10.833 1.00 1.00 H new ATOM 11 N PRO A 2 4.978 11.014 -12.092 1.00 1.00 N ATOM 12 CA PRO A 2 5.256 10.421 -13.383 1.00 1.00 C ATOM 13 C PRO A 2 3.983 9.807 -13.948 1.00 1.00 C ATOM 14 O PRO A 2 3.155 9.336 -13.170 1.00 1.00 O ATOM 15 CB PRO A 2 6.304 9.346 -13.102 1.00 1.00 C ATOM 16 CG PRO A 2 6.125 8.995 -11.674 1.00 1.00 C ATOM 17 CD PRO A 2 5.639 10.290 -11.028 1.00 1.00 C ATOM 0 HA PRO A 2 5.612 11.146 -14.115 1.00 1.00 H new ATOM 0 HB2 PRO A 2 6.158 8.476 -13.743 1.00 1.00 H new ATOM 0 HB3 PRO A 2 7.311 9.718 -13.293 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.399 8.191 -11.549 1.00 1.00 H new ATOM 0 HG3 PRO A 2 7.059 8.653 -11.228 1.00 1.00 H new ATOM 0 HD2 PRO A 2 4.955 10.087 -10.204 1.00 1.00 H new ATOM 0 HD3 PRO A 2 6.471 10.863 -10.618 1.00 1.00 H new ATOM 25 N ALA A 3 3.850 9.824 -15.266 1.00 1.00 N ATOM 26 CA ALA A 3 2.671 9.266 -15.906 1.00 1.00 C ATOM 27 C ALA A 3 2.251 7.992 -15.170 1.00 1.00 C ATOM 28 O ALA A 3 3.020 7.035 -15.090 1.00 1.00 O ATOM 29 CB ALA A 3 2.965 9.014 -17.386 1.00 1.00 C ATOM 0 H ALA A 3 4.539 10.215 -15.908 1.00 1.00 H new ATOM 0 HA ALA A 3 1.838 9.967 -15.854 1.00 1.00 H new ATOM 0 HB1 ALA A 3 2.081 8.595 -17.866 1.00 1.00 H new ATOM 0 HB2 ALA A 3 3.230 9.954 -17.870 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.794 8.313 -17.478 1.00 1.00 H new ATOM 35 N VAL A 4 1.033 8.021 -14.650 1.00 1.00 N ATOM 36 CA VAL A 4 0.502 6.880 -13.923 1.00 1.00 C ATOM 37 C VAL A 4 0.454 5.666 -14.853 1.00 1.00 C ATOM 38 O VAL A 4 -0.200 5.665 -15.892 1.00 1.00 O ATOM 39 CB VAL A 4 -0.862 7.230 -13.326 1.00 1.00 C ATOM 40 CG1 VAL A 4 -1.933 7.315 -14.416 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.261 6.225 -12.244 1.00 1.00 C ATOM 0 H VAL A 4 0.398 8.817 -14.718 1.00 1.00 H new ATOM 0 HA VAL A 4 1.152 6.623 -13.087 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.781 8.211 -12.859 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.893 7.565 -13.964 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.659 8.086 -15.136 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.011 6.354 -14.925 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.234 6.497 -11.836 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.315 5.226 -12.677 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.518 6.235 -11.447 1.00 1.00 H new ATOM 51 N PRO A 5 1.174 4.617 -14.447 1.00 1.00 N ATOM 52 CA PRO A 5 1.271 3.366 -15.169 1.00 1.00 C ATOM 53 C PRO A 5 -0.017 2.575 -14.995 1.00 1.00 C ATOM 54 O PRO A 5 -0.420 2.340 -13.857 1.00 1.00 O ATOM 55 CB PRO A 5 2.452 2.637 -14.532 1.00 1.00 C ATOM 56 CG PRO A 5 2.510 3.163 -13.156 1.00 1.00 C ATOM 57 CD PRO A 5 1.956 4.584 -13.230 1.00 1.00 C ATOM 0 HA PRO A 5 1.417 3.504 -16.240 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.303 1.557 -14.538 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.378 2.834 -15.072 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.919 2.548 -12.477 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.533 3.161 -12.779 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.342 4.814 -12.360 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.759 5.320 -13.257 1.00 1.00 H new ATOM 65 N ASP A 6 -0.630 2.187 -16.103 1.00 1.00 N ATOM 66 CA ASP A 6 -1.868 1.427 -16.047 1.00 1.00 C ATOM 67 C ASP A 6 -1.542 -0.060 -15.892 1.00 1.00 C ATOM 68 O ASP A 6 -2.429 -0.906 -15.989 1.00 1.00 O ATOM 69 CB ASP A 6 -2.680 1.602 -17.332 1.00 1.00 C ATOM 70 CG ASP A 6 -2.186 0.783 -18.526 1.00 1.00 C ATOM 71 OD1 ASP A 6 -1.152 0.102 -18.449 1.00 1.00 O ATOM 72 OD2 ASP A 6 -2.919 0.864 -19.584 1.00 1.00 O ATOM 0 H ASP A 6 -0.293 2.384 -17.045 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.450 1.792 -15.200 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.716 1.331 -17.129 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.674 2.657 -17.607 1.00 1.00 H new ATOM 78 N LYS A 7 -0.267 -0.332 -15.655 1.00 1.00 N ATOM 79 CA LYS A 7 0.186 -1.702 -15.486 1.00 1.00 C ATOM 80 C LYS A 7 0.645 -1.908 -14.041 1.00 1.00 C ATOM 81 O LYS A 7 1.783 -1.628 -13.672 1.00 1.00 O ATOM 82 CB LYS A 7 1.256 -2.044 -16.526 1.00 1.00 C ATOM 83 CG LYS A 7 2.239 -0.885 -16.704 1.00 1.00 C ATOM 84 CD LYS A 7 1.815 0.020 -17.862 1.00 1.00 C ATOM 85 CE LYS A 7 2.858 1.110 -18.115 1.00 1.00 C ATOM 86 NZ LYS A 7 3.865 0.646 -19.096 1.00 1.00 N ATOM 0 H LYS A 7 0.466 0.373 -15.576 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.633 -2.399 -15.663 1.00 1.00 H new ATOM 0 HB2 LYS A 7 1.796 -2.939 -16.217 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.781 -2.272 -17.480 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.292 -0.303 -15.784 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.239 -1.277 -16.891 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.681 -0.577 -18.764 1.00 1.00 H new ATOM 0 HD3 LYS A 7 0.852 0.478 -17.637 1.00 1.00 H new ATOM 0 HE2 LYS A 7 2.369 2.011 -18.486 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.349 1.376 -17.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.566 1.398 -19.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.344 -0.201 -18.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.394 0.414 -19.994 1.00 1.00 H new ATOM 99 N PRO A 8 -0.281 -2.412 -13.222 1.00 1.00 N ATOM 100 CA PRO A 8 -0.064 -2.688 -11.818 1.00 1.00 C ATOM 101 C PRO A 8 1.330 -3.266 -11.621 1.00 1.00 C ATOM 102 O PRO A 8 1.779 -4.036 -12.468 1.00 1.00 O ATOM 103 CB PRO A 8 -1.137 -3.711 -11.451 1.00 1.00 C ATOM 104 CG PRO A 8 -2.334 -3.160 -12.332 1.00 1.00 C ATOM 105 CD PRO A 8 -1.629 -2.752 -13.623 1.00 1.00 C ATOM 0 HA PRO A 8 -0.130 -1.796 -11.195 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.854 -4.729 -11.718 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.367 -3.713 -10.386 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -3.094 -3.922 -12.507 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.833 -2.315 -11.857 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -1.632 -3.566 -14.348 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -2.127 -1.904 -14.093 1.00 1.00 H new ATOM 113 N VAL A 9 1.979 -2.891 -10.528 1.00 1.00 N ATOM 114 CA VAL A 9 3.317 -3.382 -10.247 1.00 1.00 C ATOM 115 C VAL A 9 3.255 -4.383 -9.090 1.00 1.00 C ATOM 116 O VAL A 9 2.413 -4.258 -8.202 1.00 1.00 O ATOM 117 CB VAL A 9 4.259 -2.209 -9.972 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.970 -1.765 -11.252 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.508 -1.041 -9.329 1.00 1.00 C ATOM 0 H VAL A 9 1.603 -2.253 -9.827 1.00 1.00 H new ATOM 0 HA VAL A 9 3.720 -3.908 -11.112 1.00 1.00 H new ATOM 0 HB VAL A 9 5.018 -2.548 -9.267 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.634 -0.930 -11.029 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.553 -2.595 -11.651 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.230 -1.453 -11.990 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.201 -0.220 -9.144 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.717 -0.704 -9.999 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.070 -1.366 -8.385 1.00 1.00 H new ATOM 129 N GLU A 10 4.157 -5.352 -9.139 1.00 1.00 N ATOM 130 CA GLU A 10 4.215 -6.372 -8.106 1.00 1.00 C ATOM 131 C GLU A 10 5.064 -5.889 -6.929 1.00 1.00 C ATOM 132 O GLU A 10 6.079 -5.221 -7.124 1.00 1.00 O ATOM 133 CB GLU A 10 4.755 -7.689 -8.667 1.00 1.00 C ATOM 134 CG GLU A 10 3.655 -8.469 -9.390 1.00 1.00 C ATOM 135 CD GLU A 10 4.130 -8.939 -10.767 1.00 1.00 C ATOM 136 OE1 GLU A 10 4.785 -8.175 -11.491 1.00 1.00 O ATOM 137 OE2 GLU A 10 3.797 -10.146 -11.076 1.00 1.00 O ATOM 0 H GLU A 10 4.853 -5.452 -9.878 1.00 1.00 H new ATOM 0 HA GLU A 10 3.202 -6.555 -7.747 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.575 -7.486 -9.356 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.162 -8.294 -7.857 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.360 -9.330 -8.790 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.772 -7.840 -9.501 1.00 1.00 H new ATOM 145 N VAL A 11 4.618 -6.245 -5.733 1.00 1.00 N ATOM 146 CA VAL A 11 5.325 -5.855 -4.525 1.00 1.00 C ATOM 147 C VAL A 11 5.759 -7.111 -3.766 1.00 1.00 C ATOM 148 O VAL A 11 5.252 -7.391 -2.681 1.00 1.00 O ATOM 149 CB VAL A 11 4.450 -4.922 -3.685 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.196 -4.447 -2.437 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.961 -3.734 -4.516 1.00 1.00 C ATOM 0 H VAL A 11 3.776 -6.799 -5.575 1.00 1.00 H new ATOM 0 HA VAL A 11 6.227 -5.297 -4.774 1.00 1.00 H new ATOM 0 HB VAL A 11 3.576 -5.486 -3.359 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.552 -3.785 -1.858 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.473 -5.308 -1.829 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.096 -3.908 -2.734 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.341 -3.086 -3.896 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.818 -3.171 -4.885 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.375 -4.097 -5.360 1.00 1.00 H new ATOM 161 N LYS A 12 6.692 -7.834 -4.367 1.00 1.00 N ATOM 162 CA LYS A 12 7.200 -9.053 -3.762 1.00 1.00 C ATOM 163 C LYS A 12 7.880 -8.713 -2.434 1.00 1.00 C ATOM 164 O LYS A 12 9.104 -8.609 -2.368 1.00 1.00 O ATOM 165 CB LYS A 12 8.105 -9.802 -4.742 1.00 1.00 C ATOM 166 CG LYS A 12 9.142 -8.861 -5.359 1.00 1.00 C ATOM 167 CD LYS A 12 8.840 -8.604 -6.836 1.00 1.00 C ATOM 168 CE LYS A 12 9.051 -7.131 -7.192 1.00 1.00 C ATOM 169 NZ LYS A 12 10.084 -6.994 -8.242 1.00 1.00 N ATOM 0 H LYS A 12 7.110 -7.599 -5.267 1.00 1.00 H new ATOM 0 HA LYS A 12 6.381 -9.736 -3.536 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.611 -10.618 -4.225 1.00 1.00 H new ATOM 0 HB3 LYS A 12 7.501 -10.250 -5.531 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.149 -7.916 -4.816 1.00 1.00 H new ATOM 0 HG3 LYS A 12 10.137 -9.294 -5.258 1.00 1.00 H new ATOM 0 HD2 LYS A 12 9.484 -9.227 -7.456 1.00 1.00 H new ATOM 0 HD3 LYS A 12 7.812 -8.891 -7.056 1.00 1.00 H new ATOM 0 HE2 LYS A 12 8.113 -6.696 -7.538 1.00 1.00 H new ATOM 0 HE3 LYS A 12 9.351 -6.576 -6.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 10.214 -5.988 -8.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 10.982 -7.390 -7.899 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 9.782 -7.507 -9.095 1.00 1.00 H new ATOM 182 N GLY A 13 7.056 -8.550 -1.409 1.00 1.00 N ATOM 183 CA GLY A 13 7.563 -8.224 -0.086 1.00 1.00 C ATOM 184 C GLY A 13 8.585 -9.262 0.380 1.00 1.00 C ATOM 185 O GLY A 13 9.691 -9.333 -0.153 1.00 1.00 O ATOM 0 H GLY A 13 6.041 -8.637 -1.468 1.00 1.00 H new ATOM 0 HA2 GLY A 13 8.024 -7.236 -0.102 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.736 -8.178 0.623 1.00 1.00 H new ATOM 189 N SER A 14 8.179 -10.041 1.372 1.00 1.00 N ATOM 190 CA SER A 14 9.045 -11.072 1.917 1.00 1.00 C ATOM 191 C SER A 14 9.005 -12.315 1.025 1.00 1.00 C ATOM 192 O SER A 14 10.007 -12.674 0.409 1.00 1.00 O ATOM 193 CB SER A 14 8.641 -11.432 3.348 1.00 1.00 C ATOM 194 OG SER A 14 8.606 -12.842 3.554 1.00 1.00 O ATOM 0 H SER A 14 7.261 -9.979 1.813 1.00 1.00 H new ATOM 0 HA SER A 14 10.063 -10.684 1.943 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.344 -10.981 4.048 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.660 -11.009 3.565 1.00 1.00 H new ATOM 0 HG SER A 14 7.834 -13.072 4.111 1.00 1.00 H new ATOM 200 N GLN A 15 7.836 -12.937 0.984 1.00 1.00 N ATOM 201 CA GLN A 15 7.652 -14.132 0.178 1.00 1.00 C ATOM 202 C GLN A 15 6.409 -13.991 -0.703 1.00 1.00 C ATOM 203 O GLN A 15 6.505 -14.034 -1.929 1.00 1.00 O ATOM 204 CB GLN A 15 7.561 -15.379 1.059 1.00 1.00 C ATOM 205 CG GLN A 15 8.319 -16.550 0.432 1.00 1.00 C ATOM 206 CD GLN A 15 9.411 -17.063 1.373 1.00 1.00 C ATOM 207 OE1 GLN A 15 9.460 -18.228 1.733 1.00 1.00 O ATOM 208 NE2 GLN A 15 10.281 -16.132 1.752 1.00 1.00 N ATOM 0 H GLN A 15 7.007 -12.636 1.496 1.00 1.00 H new ATOM 0 HA GLN A 15 8.521 -14.248 -0.469 1.00 1.00 H new ATOM 0 HB2 GLN A 15 7.971 -15.162 2.045 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.516 -15.652 1.201 1.00 1.00 H new ATOM 0 HG2 GLN A 15 7.623 -17.357 0.202 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.765 -16.236 -0.512 1.00 1.00 H new ATOM 0 HE21 GLN A 15 10.183 -15.175 1.414 1.00 1.00 H new ATOM 0 HE22 GLN A 15 11.046 -16.375 2.381 1.00 1.00 H new ATOM 217 N LYS A 16 5.271 -13.826 -0.045 1.00 1.00 N ATOM 218 CA LYS A 16 4.011 -13.678 -0.753 1.00 1.00 C ATOM 219 C LYS A 16 4.099 -12.477 -1.696 1.00 1.00 C ATOM 220 O LYS A 16 4.577 -11.412 -1.308 1.00 1.00 O ATOM 221 CB LYS A 16 2.847 -13.600 0.236 1.00 1.00 C ATOM 222 CG LYS A 16 2.500 -14.986 0.785 1.00 1.00 C ATOM 223 CD LYS A 16 1.082 -15.396 0.382 1.00 1.00 C ATOM 224 CE LYS A 16 1.097 -16.237 -0.896 1.00 1.00 C ATOM 225 NZ LYS A 16 0.354 -15.551 -1.977 1.00 1.00 N ATOM 0 H LYS A 16 5.195 -13.792 0.972 1.00 1.00 H new ATOM 0 HA LYS A 16 3.816 -14.555 -1.371 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.108 -12.934 1.058 1.00 1.00 H new ATOM 0 HB3 LYS A 16 1.974 -13.171 -0.257 1.00 1.00 H new ATOM 0 HG2 LYS A 16 3.215 -15.719 0.410 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.587 -14.983 1.872 1.00 1.00 H new ATOM 0 HD2 LYS A 16 0.620 -15.964 1.190 1.00 1.00 H new ATOM 0 HD3 LYS A 16 0.472 -14.506 0.229 1.00 1.00 H new ATOM 0 HE2 LYS A 16 2.126 -16.414 -1.210 1.00 1.00 H new ATOM 0 HE3 LYS A 16 0.650 -17.212 -0.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 0.374 -16.135 -2.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.632 -15.404 -1.681 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 0.797 -14.631 -2.173 1.00 1.00 H new ATOM 238 N THR A 17 3.630 -12.688 -2.917 1.00 1.00 N ATOM 239 CA THR A 17 3.649 -11.635 -3.919 1.00 1.00 C ATOM 240 C THR A 17 2.283 -10.951 -4.000 1.00 1.00 C ATOM 241 O THR A 17 1.252 -11.620 -4.047 1.00 1.00 O ATOM 242 CB THR A 17 4.100 -12.252 -5.244 1.00 1.00 C ATOM 243 OG1 THR A 17 5.454 -12.629 -5.010 1.00 1.00 O ATOM 244 CG2 THR A 17 4.190 -11.219 -6.370 1.00 1.00 C ATOM 0 H THR A 17 3.234 -13.573 -3.235 1.00 1.00 H new ATOM 0 HA THR A 17 4.355 -10.848 -3.653 1.00 1.00 H new ATOM 0 HB THR A 17 3.406 -13.042 -5.530 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.824 -13.040 -5.819 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.514 -11.709 -7.288 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.211 -10.766 -6.527 1.00 1.00 H new ATOM 0 HG23 THR A 17 4.909 -10.446 -6.098 1.00 1.00 H new ATOM 252 N VAL A 18 2.320 -9.627 -4.013 1.00 1.00 N ATOM 253 CA VAL A 18 1.098 -8.845 -4.088 1.00 1.00 C ATOM 254 C VAL A 18 1.284 -7.709 -5.096 1.00 1.00 C ATOM 255 O VAL A 18 2.254 -6.957 -5.017 1.00 1.00 O ATOM 256 CB VAL A 18 0.709 -8.348 -2.694 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.679 -7.703 -2.709 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.775 -9.482 -1.669 1.00 1.00 C ATOM 0 H VAL A 18 3.177 -9.076 -3.973 1.00 1.00 H new ATOM 0 HA VAL A 18 0.272 -9.462 -4.442 1.00 1.00 H new ATOM 0 HB VAL A 18 1.430 -7.586 -2.397 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.931 -7.358 -1.706 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.679 -6.856 -3.394 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.417 -8.435 -3.037 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.494 -9.102 -0.687 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.088 -10.277 -1.961 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.790 -9.877 -1.628 1.00 1.00 H new ATOM 268 N MET A 19 0.340 -7.622 -6.022 1.00 1.00 N ATOM 269 CA MET A 19 0.388 -6.591 -7.045 1.00 1.00 C ATOM 270 C MET A 19 -0.665 -5.512 -6.786 1.00 1.00 C ATOM 271 O MET A 19 -1.813 -5.823 -6.472 1.00 1.00 O ATOM 272 CB MET A 19 0.147 -7.222 -8.417 1.00 1.00 C ATOM 273 CG MET A 19 -1.200 -7.947 -8.458 1.00 1.00 C ATOM 274 SD MET A 19 -0.944 -9.697 -8.701 1.00 1.00 S ATOM 275 CE MET A 19 -0.493 -9.707 -10.429 1.00 1.00 C ATOM 0 H MET A 19 -0.462 -8.249 -6.085 1.00 1.00 H new ATOM 0 HA MET A 19 1.373 -6.124 -7.018 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.172 -6.450 -9.186 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.949 -7.924 -8.644 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.743 -7.776 -7.528 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.814 -7.545 -9.264 1.00 1.00 H new ATOM 0 HE1 MET A 19 -0.986 -10.541 -10.929 1.00 1.00 H new ATOM 0 HE2 MET A 19 -0.805 -8.771 -10.892 1.00 1.00 H new ATOM 0 HE3 MET A 19 0.588 -9.815 -10.522 1.00 1.00 H new ATOM 285 N PHE A 20 -0.237 -4.266 -6.928 1.00 1.00 N ATOM 286 CA PHE A 20 -1.130 -3.140 -6.714 1.00 1.00 C ATOM 287 C PHE A 20 -1.411 -2.405 -8.026 1.00 1.00 C ATOM 288 O PHE A 20 -0.507 -1.990 -8.748 1.00 1.00 O ATOM 289 CB PHE A 20 -0.421 -2.185 -5.751 1.00 1.00 C ATOM 290 CG PHE A 20 -0.985 -0.762 -5.758 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.061 -0.454 -4.986 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.409 0.194 -6.536 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.585 0.866 -4.993 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.932 1.514 -6.542 1.00 1.00 C ATOM 295 CZ PHE A 20 -2.009 1.822 -5.771 1.00 1.00 C ATOM 0 H PHE A 20 0.716 -4.012 -7.188 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.082 -3.491 -6.314 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.490 -2.587 -4.740 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.638 -2.147 -6.007 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.517 -1.213 -4.368 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.446 -0.051 -7.149 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.440 1.111 -4.381 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.475 2.273 -7.159 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.407 2.826 -5.776 1.00 1.00 H new ATOM 305 N PRO A 21 -2.704 -2.254 -8.322 1.00 1.00 N ATOM 306 CA PRO A 21 -3.197 -1.591 -9.510 1.00 1.00 C ATOM 307 C PRO A 21 -3.351 -0.101 -9.236 1.00 1.00 C ATOM 308 O PRO A 21 -3.810 0.266 -8.157 1.00 1.00 O ATOM 309 CB PRO A 21 -4.551 -2.239 -9.787 1.00 1.00 C ATOM 310 CG PRO A 21 -5.057 -2.424 -8.295 1.00 1.00 C ATOM 311 CD PRO A 21 -3.792 -2.730 -7.496 1.00 1.00 C ATOM 0 HA PRO A 21 -2.524 -1.691 -10.362 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.209 -1.601 -10.377 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.462 -3.185 -10.320 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.549 -1.523 -7.929 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.780 -3.236 -8.219 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.804 -2.226 -6.530 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.699 -3.798 -7.297 1.00 1.00 H new ATOM 319 N HIS A 22 -2.968 0.728 -10.207 1.00 1.00 N ATOM 320 CA HIS A 22 -3.054 2.179 -10.089 1.00 1.00 C ATOM 321 C HIS A 22 -4.445 2.656 -10.544 1.00 1.00 C ATOM 322 O HIS A 22 -4.968 3.634 -10.011 1.00 1.00 O ATOM 323 CB HIS A 22 -1.886 2.811 -10.861 1.00 1.00 C ATOM 324 CG HIS A 22 -0.619 3.073 -10.080 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.495 2.355 -10.253 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.326 4.005 -9.113 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.444 2.820 -9.425 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.990 3.840 -8.699 1.00 1.00 N ATOM 0 H HIS A 22 -2.589 0.409 -11.099 1.00 1.00 H new ATOM 0 HA HIS A 22 -2.955 2.502 -9.053 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.640 2.159 -11.700 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.228 3.757 -11.282 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.606 1.580 -10.907 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.011 4.749 -8.734 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.445 2.419 -9.357 1.00 1.00 H new ATOM 336 N ALA A 23 -4.998 1.947 -11.516 1.00 1.00 N ATOM 337 CA ALA A 23 -6.310 2.288 -12.039 1.00 1.00 C ATOM 338 C ALA A 23 -7.281 2.491 -10.874 1.00 1.00 C ATOM 339 O ALA A 23 -7.931 3.525 -10.739 1.00 1.00 O ATOM 340 CB ALA A 23 -6.776 1.195 -13.003 1.00 1.00 C ATOM 0 H ALA A 23 -4.561 1.137 -11.956 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.269 3.221 -12.601 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.760 1.451 -13.395 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.068 1.111 -13.827 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.832 0.243 -12.474 1.00 1.00 H new ATOM 346 N PRO A 24 -7.366 1.465 -10.025 1.00 1.00 N ATOM 347 CA PRO A 24 -8.218 1.441 -8.856 1.00 1.00 C ATOM 348 C PRO A 24 -7.755 2.501 -7.865 1.00 1.00 C ATOM 349 O PRO A 24 -8.421 2.707 -6.853 1.00 1.00 O ATOM 350 CB PRO A 24 -8.049 0.039 -8.276 1.00 1.00 C ATOM 351 CG PRO A 24 -7.458 -0.817 -9.433 1.00 1.00 C ATOM 352 CD PRO A 24 -6.616 0.234 -10.154 1.00 1.00 C ATOM 0 HA PRO A 24 -9.261 1.655 -9.087 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.382 0.048 -7.414 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.003 -0.364 -7.937 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.858 -1.650 -9.068 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.232 -1.239 -10.074 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.627 0.325 -9.704 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.467 -0.030 -11.201 1.00 1.00 H new ATOM 360 N HIS A 25 -6.631 3.150 -8.167 1.00 1.00 N ATOM 361 CA HIS A 25 -6.064 4.189 -7.315 1.00 1.00 C ATOM 362 C HIS A 25 -5.634 5.391 -8.176 1.00 1.00 C ATOM 363 O HIS A 25 -4.579 5.978 -7.937 1.00 1.00 O ATOM 364 CB HIS A 25 -4.933 3.579 -6.473 1.00 1.00 C ATOM 365 CG HIS A 25 -5.289 2.380 -5.625 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.187 1.125 -6.074 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.752 2.287 -4.334 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.571 0.284 -5.102 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.930 0.949 -4.005 1.00 1.00 N ATOM 0 H HIS A 25 -6.089 2.968 -9.011 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.803 4.577 -6.613 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.125 3.292 -7.146 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.541 4.356 -5.816 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.869 0.852 -7.004 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -5.947 3.123 -3.678 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.587 -0.792 -5.196 1.00 1.00 H new ATOM 377 N GLU A 26 -6.469 5.718 -9.151 1.00 1.00 N ATOM 378 CA GLU A 26 -6.186 6.833 -10.038 1.00 1.00 C ATOM 379 C GLU A 26 -7.006 8.059 -9.629 1.00 1.00 C ATOM 380 O GLU A 26 -7.015 9.067 -10.333 1.00 1.00 O ATOM 381 CB GLU A 26 -6.453 6.456 -11.496 1.00 1.00 C ATOM 382 CG GLU A 26 -5.191 6.623 -12.346 1.00 1.00 C ATOM 383 CD GLU A 26 -5.500 7.372 -13.644 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.131 6.808 -14.550 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.059 8.583 -13.693 1.00 1.00 O ATOM 0 H GLU A 26 -7.343 5.229 -9.346 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.128 7.082 -9.950 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.799 5.424 -11.551 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.251 7.081 -11.897 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.436 7.167 -11.779 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.772 5.644 -12.578 1.00 1.00 H new ATOM 393 N LYS A 27 -7.675 7.931 -8.493 1.00 1.00 N ATOM 394 CA LYS A 27 -8.497 9.015 -7.982 1.00 1.00 C ATOM 395 C LYS A 27 -7.901 9.524 -6.668 1.00 1.00 C ATOM 396 O LYS A 27 -8.157 10.658 -6.264 1.00 1.00 O ATOM 397 CB LYS A 27 -9.956 8.571 -7.864 1.00 1.00 C ATOM 398 CG LYS A 27 -10.143 7.604 -6.693 1.00 1.00 C ATOM 399 CD LYS A 27 -11.207 6.553 -7.015 1.00 1.00 C ATOM 400 CE LYS A 27 -10.614 5.407 -7.837 1.00 1.00 C ATOM 401 NZ LYS A 27 -10.598 4.156 -7.046 1.00 1.00 N ATOM 0 H LYS A 27 -7.665 7.093 -7.912 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.499 9.853 -8.678 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.595 9.443 -7.725 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.269 8.090 -8.791 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -9.197 7.112 -6.468 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.433 8.159 -5.801 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -11.628 6.161 -6.089 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.025 7.016 -7.567 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -11.199 5.262 -8.745 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -9.600 5.661 -8.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -9.614 3.882 -6.849 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -11.102 4.306 -6.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -11.067 3.399 -7.584 1.00 1.00 H new ATOM 414 N VAL A 28 -7.117 8.663 -6.037 1.00 1.00 N ATOM 415 CA VAL A 28 -6.483 9.012 -4.777 1.00 1.00 C ATOM 416 C VAL A 28 -5.173 9.751 -5.057 1.00 1.00 C ATOM 417 O VAL A 28 -4.292 9.225 -5.734 1.00 1.00 O ATOM 418 CB VAL A 28 -6.290 7.757 -3.923 1.00 1.00 C ATOM 419 CG1 VAL A 28 -5.827 8.121 -2.511 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.569 6.919 -3.882 1.00 1.00 C ATOM 0 H VAL A 28 -6.906 7.724 -6.375 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.120 9.685 -4.203 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.510 7.153 -4.386 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.697 7.211 -1.925 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -4.879 8.656 -2.566 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.575 8.756 -2.035 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.404 6.033 -3.269 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.378 7.511 -3.455 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -7.837 6.615 -4.894 1.00 1.00 H new ATOM 430 N GLU A 29 -5.087 10.961 -4.523 1.00 1.00 N ATOM 431 CA GLU A 29 -3.900 11.778 -4.708 1.00 1.00 C ATOM 432 C GLU A 29 -2.639 10.943 -4.474 1.00 1.00 C ATOM 433 O GLU A 29 -2.582 10.148 -3.537 1.00 1.00 O ATOM 434 CB GLU A 29 -3.927 13.000 -3.787 1.00 1.00 C ATOM 435 CG GLU A 29 -4.997 13.999 -4.233 1.00 1.00 C ATOM 436 CD GLU A 29 -5.961 14.316 -3.089 1.00 1.00 C ATOM 437 OE1 GLU A 29 -6.076 15.481 -2.680 1.00 1.00 O ATOM 438 OE2 GLU A 29 -6.607 13.302 -2.622 1.00 1.00 O ATOM 0 H GLU A 29 -5.820 11.395 -3.962 1.00 1.00 H new ATOM 0 HA GLU A 29 -3.888 12.139 -5.736 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -4.124 12.684 -2.763 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -2.950 13.483 -3.789 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.521 14.917 -4.578 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.551 13.591 -5.078 1.00 1.00 H new ATOM 446 N CYS A 30 -1.661 11.152 -5.342 1.00 1.00 N ATOM 447 CA CYS A 30 -0.404 10.429 -5.241 1.00 1.00 C ATOM 448 C CYS A 30 0.102 10.543 -3.802 1.00 1.00 C ATOM 449 O CYS A 30 0.299 9.534 -3.128 1.00 1.00 O ATOM 450 CB CYS A 30 0.625 10.940 -6.251 1.00 1.00 C ATOM 451 SG CYS A 30 -0.044 11.294 -7.917 1.00 1.00 S ATOM 0 H CYS A 30 -1.713 11.811 -6.119 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.565 9.379 -5.486 1.00 1.00 H new ATOM 0 HB2 CYS A 30 1.080 11.849 -5.857 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.420 10.200 -6.344 1.00 1.00 H new ATOM 456 N VAL A 31 0.299 11.782 -3.375 1.00 1.00 N ATOM 457 CA VAL A 31 0.779 12.041 -2.028 1.00 1.00 C ATOM 458 C VAL A 31 0.138 11.043 -1.061 1.00 1.00 C ATOM 459 O VAL A 31 0.826 10.440 -0.239 1.00 1.00 O ATOM 460 CB VAL A 31 0.510 13.498 -1.648 1.00 1.00 C ATOM 461 CG1 VAL A 31 -0.993 13.781 -1.590 1.00 1.00 C ATOM 462 CG2 VAL A 31 1.186 13.853 -0.322 1.00 1.00 C ATOM 0 H VAL A 31 0.135 12.617 -3.938 1.00 1.00 H new ATOM 0 HA VAL A 31 1.858 11.898 -1.974 1.00 1.00 H new ATOM 0 HB VAL A 31 0.941 14.131 -2.424 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.157 14.824 -1.318 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.438 13.587 -2.566 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.456 13.134 -0.845 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.979 14.894 -0.075 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.799 13.209 0.468 1.00 1.00 H new ATOM 0 HG23 VAL A 31 2.263 13.709 -0.412 1.00 1.00 H new ATOM 472 N THR A 32 -1.173 10.899 -1.193 1.00 1.00 N ATOM 473 CA THR A 32 -1.915 9.985 -0.342 1.00 1.00 C ATOM 474 C THR A 32 -1.100 8.716 -0.085 1.00 1.00 C ATOM 475 O THR A 32 -0.958 8.286 1.059 1.00 1.00 O ATOM 476 CB THR A 32 -3.267 9.715 -1.004 1.00 1.00 C ATOM 477 OG1 THR A 32 -3.678 10.991 -1.487 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.349 9.333 0.009 1.00 1.00 C ATOM 0 H THR A 32 -1.740 11.400 -1.877 1.00 1.00 H new ATOM 0 HA THR A 32 -2.099 10.420 0.640 1.00 1.00 H new ATOM 0 HB THR A 32 -3.159 8.916 -1.738 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.657 11.041 -1.487 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.289 9.152 -0.513 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.048 8.429 0.539 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.482 10.145 0.724 1.00 1.00 H new ATOM 486 N CYS A 33 -0.585 8.152 -1.168 1.00 1.00 N ATOM 487 CA CYS A 33 0.212 6.940 -1.074 1.00 1.00 C ATOM 488 C CYS A 33 1.690 7.337 -1.073 1.00 1.00 C ATOM 489 O CYS A 33 2.443 6.959 -0.178 1.00 1.00 O ATOM 490 CB CYS A 33 -0.115 5.959 -2.201 1.00 1.00 C ATOM 491 SG CYS A 33 -1.428 4.804 -1.664 1.00 1.00 S ATOM 0 H CYS A 33 -0.704 8.512 -2.115 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.024 6.417 -0.147 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -0.440 6.505 -3.087 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.779 5.402 -2.480 1.00 1.00 H new ATOM 496 N HIS A 34 2.069 8.102 -2.097 1.00 1.00 N ATOM 497 CA HIS A 34 3.437 8.579 -2.266 1.00 1.00 C ATOM 498 C HIS A 34 3.657 9.841 -1.412 1.00 1.00 C ATOM 499 O HIS A 34 3.829 10.934 -1.947 1.00 1.00 O ATOM 500 CB HIS A 34 3.714 8.773 -3.764 1.00 1.00 C ATOM 501 CG HIS A 34 3.606 7.545 -4.640 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.556 6.607 -4.684 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.622 7.134 -5.506 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.180 5.649 -5.545 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.992 5.925 -6.081 1.00 1.00 N ATOM 0 H HIS A 34 1.433 8.408 -2.833 1.00 1.00 H new ATOM 0 HA HIS A 34 4.162 7.849 -1.906 1.00 1.00 H new ATOM 0 HB2 HIS A 34 3.021 9.524 -4.144 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.718 9.182 -3.874 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.425 6.617 -4.150 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.705 7.667 -5.708 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.764 4.770 -5.773 1.00 1.00 H new ATOM 513 N HIS A 35 3.645 9.647 -0.093 1.00 1.00 N ATOM 514 CA HIS A 35 3.839 10.727 0.868 1.00 1.00 C ATOM 515 C HIS A 35 5.074 11.558 0.476 1.00 1.00 C ATOM 516 O HIS A 35 5.921 11.087 -0.282 1.00 1.00 O ATOM 517 CB HIS A 35 3.902 10.129 2.281 1.00 1.00 C ATOM 518 CG HIS A 35 5.149 9.352 2.635 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.360 9.914 2.675 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.330 8.030 2.966 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.261 8.979 3.017 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.678 7.797 3.208 1.00 1.00 N ATOM 0 H HIS A 35 3.500 8.734 0.337 1.00 1.00 H new ATOM 0 HA HIS A 35 3.001 11.423 0.860 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.792 10.941 2.999 1.00 1.00 H new ATOM 0 HB3 HIS A 35 3.043 9.471 2.410 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.567 10.893 2.478 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.547 7.289 3.028 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.320 9.162 3.123 1.00 1.00 H new ATOM 530 N LEU A 36 5.135 12.769 1.009 1.00 1.00 N ATOM 531 CA LEU A 36 6.249 13.658 0.723 1.00 1.00 C ATOM 532 C LEU A 36 7.427 13.301 1.631 1.00 1.00 C ATOM 533 O LEU A 36 7.233 12.792 2.734 1.00 1.00 O ATOM 534 CB LEU A 36 5.809 15.119 0.831 1.00 1.00 C ATOM 535 CG LEU A 36 4.388 15.429 0.357 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.510 15.889 1.521 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.401 16.445 -0.788 1.00 1.00 C ATOM 0 H LEU A 36 4.431 13.156 1.638 1.00 1.00 H new ATOM 0 HA LEU A 36 6.588 13.527 -0.305 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.899 15.429 1.872 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.504 15.730 0.255 1.00 1.00 H new ATOM 0 HG LEU A 36 3.950 14.510 -0.033 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.505 16.103 1.157 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.463 15.103 2.274 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.935 16.790 1.963 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.378 16.648 -1.106 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.865 17.371 -0.448 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.968 16.041 -1.626 1.00 1.00 H new ATOM 549 N VAL A 37 8.622 13.582 1.134 1.00 1.00 N ATOM 550 CA VAL A 37 9.832 13.297 1.888 1.00 1.00 C ATOM 551 C VAL A 37 10.638 14.586 2.056 1.00 1.00 C ATOM 552 O VAL A 37 11.156 15.130 1.083 1.00 1.00 O ATOM 553 CB VAL A 37 10.624 12.182 1.203 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.965 11.952 1.903 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.809 10.888 1.141 1.00 1.00 C ATOM 0 H VAL A 37 8.779 14.004 0.219 1.00 1.00 H new ATOM 0 HA VAL A 37 9.584 12.936 2.886 1.00 1.00 H new ATOM 0 HB VAL A 37 10.830 12.498 0.180 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.508 11.154 1.396 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.554 12.869 1.871 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.790 11.669 2.941 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.395 10.112 0.649 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.558 10.567 2.152 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.892 11.062 0.577 1.00 1.00 H new ATOM 565 N ASP A 38 10.719 15.037 3.300 1.00 1.00 N ATOM 566 CA ASP A 38 11.453 16.252 3.609 1.00 1.00 C ATOM 567 C ASP A 38 10.934 17.394 2.732 1.00 1.00 C ATOM 568 O ASP A 38 11.715 18.200 2.230 1.00 1.00 O ATOM 569 CB ASP A 38 12.947 16.080 3.325 1.00 1.00 C ATOM 570 CG ASP A 38 13.878 16.673 4.384 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.622 16.565 5.593 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.920 17.274 3.919 1.00 1.00 O ATOM 0 H ASP A 38 10.288 14.582 4.105 1.00 1.00 H new ATOM 0 HA ASP A 38 11.309 16.473 4.667 1.00 1.00 H new ATOM 0 HB2 ASP A 38 13.163 15.016 3.228 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.174 16.541 2.364 1.00 1.00 H new ATOM 578 N GLY A 39 9.618 17.426 2.576 1.00 1.00 N ATOM 579 CA GLY A 39 8.986 18.455 1.768 1.00 1.00 C ATOM 580 C GLY A 39 9.549 18.460 0.346 1.00 1.00 C ATOM 581 O GLY A 39 9.655 19.514 -0.280 1.00 1.00 O ATOM 0 H GLY A 39 8.973 16.756 2.995 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.910 18.287 1.736 1.00 1.00 H new ATOM 0 HA3 GLY A 39 9.143 19.431 2.228 1.00 1.00 H new ATOM 585 N LYS A 40 9.896 17.270 -0.123 1.00 1.00 N ATOM 586 CA LYS A 40 10.446 17.124 -1.460 1.00 1.00 C ATOM 587 C LYS A 40 9.718 15.991 -2.186 1.00 1.00 C ATOM 588 O LYS A 40 9.977 14.817 -1.928 1.00 1.00 O ATOM 589 CB LYS A 40 11.964 16.939 -1.398 1.00 1.00 C ATOM 590 CG LYS A 40 12.677 17.943 -2.306 1.00 1.00 C ATOM 591 CD LYS A 40 13.931 17.326 -2.928 1.00 1.00 C ATOM 592 CE LYS A 40 13.730 17.066 -4.422 1.00 1.00 C ATOM 593 NZ LYS A 40 14.703 17.845 -5.220 1.00 1.00 N ATOM 0 H LYS A 40 9.807 16.398 0.399 1.00 1.00 H new ATOM 0 HA LYS A 40 10.282 18.032 -2.040 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.307 17.064 -0.371 1.00 1.00 H new ATOM 0 HB3 LYS A 40 12.223 15.924 -1.699 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.999 18.271 -3.094 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.950 18.828 -1.732 1.00 1.00 H new ATOM 0 HD2 LYS A 40 14.780 17.994 -2.782 1.00 1.00 H new ATOM 0 HD3 LYS A 40 14.170 16.391 -2.421 1.00 1.00 H new ATOM 0 HE2 LYS A 40 13.848 16.003 -4.631 1.00 1.00 H new ATOM 0 HE3 LYS A 40 12.714 17.337 -4.711 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 14.552 17.657 -6.232 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 14.572 18.860 -5.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 15.670 17.567 -4.956 1.00 1.00 H new ATOM 606 N GLU A 41 8.821 16.384 -3.078 1.00 1.00 N ATOM 607 CA GLU A 41 8.053 15.416 -3.843 1.00 1.00 C ATOM 608 C GLU A 41 8.967 14.304 -4.361 1.00 1.00 C ATOM 609 O GLU A 41 10.003 14.578 -4.966 1.00 1.00 O ATOM 610 CB GLU A 41 7.307 16.094 -4.994 1.00 1.00 C ATOM 611 CG GLU A 41 6.002 16.724 -4.506 1.00 1.00 C ATOM 612 CD GLU A 41 4.891 16.559 -5.545 1.00 1.00 C ATOM 613 OE1 GLU A 41 4.642 15.438 -6.014 1.00 1.00 O ATOM 614 OE2 GLU A 41 4.275 17.647 -5.862 1.00 1.00 O ATOM 0 H GLU A 41 8.609 17.359 -3.288 1.00 1.00 H new ATOM 0 HA GLU A 41 7.308 14.970 -3.184 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.940 16.861 -5.441 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.093 15.363 -5.774 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.699 16.260 -3.567 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.159 17.783 -4.302 1.00 1.00 H new ATOM 622 N SER A 42 8.551 13.072 -4.106 1.00 1.00 N ATOM 623 CA SER A 42 9.319 11.917 -4.539 1.00 1.00 C ATOM 624 C SER A 42 8.376 10.799 -4.985 1.00 1.00 C ATOM 625 O SER A 42 7.204 10.748 -4.619 1.00 1.00 O ATOM 626 CB SER A 42 10.243 11.421 -3.425 1.00 1.00 C ATOM 627 OG SER A 42 10.940 10.235 -3.798 1.00 1.00 O ATOM 0 H SER A 42 7.691 12.849 -3.605 1.00 1.00 H new ATOM 0 HA SER A 42 9.941 12.216 -5.383 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.962 12.201 -3.176 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.657 11.230 -2.526 1.00 1.00 H new ATOM 0 HG SER A 42 11.521 9.951 -3.061 1.00 1.00 H new ATOM 633 N TYR A 43 8.922 9.890 -5.796 1.00 1.00 N ATOM 634 CA TYR A 43 8.161 8.768 -6.307 1.00 1.00 C ATOM 635 C TYR A 43 9.079 7.573 -6.516 1.00 1.00 C ATOM 636 O TYR A 43 9.124 7.043 -7.625 1.00 1.00 O ATOM 637 CB TYR A 43 7.488 9.168 -7.618 1.00 1.00 C ATOM 638 CG TYR A 43 6.422 10.224 -7.450 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.786 11.552 -7.197 1.00 1.00 C ATOM 640 CD2 TYR A 43 5.070 9.876 -7.548 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.798 12.532 -7.042 1.00 1.00 C ATOM 642 CE2 TYR A 43 4.081 10.855 -7.393 1.00 1.00 C ATOM 643 CZ TYR A 43 4.445 12.183 -7.140 1.00 1.00 C ATOM 644 OH TYR A 43 3.483 13.138 -6.989 1.00 1.00 O ATOM 0 H TYR A 43 9.892 9.917 -6.109 1.00 1.00 H new ATOM 0 HA TYR A 43 7.392 8.487 -5.588 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.246 9.535 -8.309 1.00 1.00 H new ATOM 0 HB3 TYR A 43 7.043 8.283 -8.074 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.829 11.821 -7.121 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.789 8.852 -7.743 1.00 1.00 H new ATOM 0 HE1 TYR A 43 6.079 13.556 -6.847 1.00 1.00 H new ATOM 0 HE2 TYR A 43 3.038 10.586 -7.469 1.00 1.00 H new ATOM 0 HH TYR A 43 3.903 13.990 -6.749 1.00 1.00 H new ATOM 654 N ALA A 44 9.783 7.175 -5.466 1.00 1.00 N ATOM 655 CA ALA A 44 10.689 6.043 -5.557 1.00 1.00 C ATOM 656 C ALA A 44 9.991 4.791 -5.024 1.00 1.00 C ATOM 657 O ALA A 44 9.141 4.879 -4.138 1.00 1.00 O ATOM 658 CB ALA A 44 11.979 6.359 -4.798 1.00 1.00 C ATOM 0 H ALA A 44 9.744 7.617 -4.548 1.00 1.00 H new ATOM 0 HA ALA A 44 10.960 5.852 -6.595 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.659 5.510 -4.866 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.452 7.238 -5.235 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.747 6.554 -3.751 1.00 1.00 H new ATOM 664 N LYS A 45 10.374 3.654 -5.585 1.00 1.00 N ATOM 665 CA LYS A 45 9.795 2.385 -5.176 1.00 1.00 C ATOM 666 C LYS A 45 9.632 2.370 -3.655 1.00 1.00 C ATOM 667 O LYS A 45 10.448 2.942 -2.934 1.00 1.00 O ATOM 668 CB LYS A 45 10.624 1.219 -5.718 1.00 1.00 C ATOM 669 CG LYS A 45 12.021 1.202 -5.093 1.00 1.00 C ATOM 670 CD LYS A 45 13.081 0.832 -6.132 1.00 1.00 C ATOM 671 CE LYS A 45 14.202 1.873 -6.167 1.00 1.00 C ATOM 672 NZ LYS A 45 15.504 1.224 -6.439 1.00 1.00 N ATOM 0 H LYS A 45 11.078 3.584 -6.320 1.00 1.00 H new ATOM 0 HA LYS A 45 8.800 2.264 -5.604 1.00 1.00 H new ATOM 0 HB2 LYS A 45 10.116 0.278 -5.507 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.708 1.300 -6.802 1.00 1.00 H new ATOM 0 HG2 LYS A 45 12.247 2.181 -4.671 1.00 1.00 H new ATOM 0 HG3 LYS A 45 12.047 0.487 -4.271 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.497 -0.148 -5.899 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.619 0.756 -7.117 1.00 1.00 H new ATOM 0 HE2 LYS A 45 13.992 2.616 -6.936 1.00 1.00 H new ATOM 0 HE3 LYS A 45 14.245 2.402 -5.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 16.254 1.945 -6.459 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 15.710 0.531 -5.691 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 15.465 0.739 -7.358 1.00 1.00 H new ATOM 685 N CYS A 46 8.573 1.709 -3.212 1.00 1.00 N ATOM 686 CA CYS A 46 8.292 1.612 -1.790 1.00 1.00 C ATOM 687 C CYS A 46 9.575 1.184 -1.075 1.00 1.00 C ATOM 688 O CYS A 46 9.750 1.458 0.111 1.00 1.00 O ATOM 689 CB CYS A 46 7.134 0.654 -1.506 1.00 1.00 C ATOM 690 SG CYS A 46 5.861 1.305 -0.364 1.00 1.00 S ATOM 0 H CYS A 46 7.899 1.235 -3.813 1.00 1.00 H new ATOM 0 HA CYS A 46 7.974 2.584 -1.413 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.656 0.394 -2.451 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.538 -0.269 -1.089 1.00 1.00 H new ATOM 695 N GLY A 47 10.440 0.520 -1.828 1.00 1.00 N ATOM 696 CA GLY A 47 11.703 0.051 -1.281 1.00 1.00 C ATOM 697 C GLY A 47 12.886 0.713 -1.989 1.00 1.00 C ATOM 698 O GLY A 47 13.649 0.046 -2.687 1.00 1.00 O ATOM 0 H GLY A 47 10.292 0.296 -2.812 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.745 0.269 -0.214 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.770 -1.032 -1.388 1.00 1.00 H new ATOM 702 N SER A 48 13.002 2.017 -1.786 1.00 1.00 N ATOM 703 CA SER A 48 14.080 2.777 -2.396 1.00 1.00 C ATOM 704 C SER A 48 15.177 3.050 -1.365 1.00 1.00 C ATOM 705 O SER A 48 14.982 2.826 -0.171 1.00 1.00 O ATOM 706 CB SER A 48 13.564 4.092 -2.983 1.00 1.00 C ATOM 707 OG SER A 48 14.627 4.950 -3.387 1.00 1.00 O ATOM 0 H SER A 48 12.367 2.567 -1.207 1.00 1.00 H new ATOM 0 HA SER A 48 14.496 2.185 -3.211 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.924 3.880 -3.839 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.948 4.602 -2.243 1.00 1.00 H new ATOM 0 HG SER A 48 14.297 5.870 -3.453 1.00 1.00 H new ATOM 713 N SER A 49 16.307 3.530 -1.863 1.00 1.00 N ATOM 714 CA SER A 49 17.435 3.837 -1.000 1.00 1.00 C ATOM 715 C SER A 49 17.005 4.813 0.097 1.00 1.00 C ATOM 716 O SER A 49 16.374 5.831 -0.186 1.00 1.00 O ATOM 717 CB SER A 49 18.600 4.419 -1.802 1.00 1.00 C ATOM 718 OG SER A 49 18.456 5.822 -2.011 1.00 1.00 O ATOM 0 H SER A 49 16.466 3.714 -2.854 1.00 1.00 H new ATOM 0 HA SER A 49 17.775 2.910 -0.539 1.00 1.00 H new ATOM 0 HB2 SER A 49 19.535 4.225 -1.276 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.665 3.914 -2.766 1.00 1.00 H new ATOM 0 HG SER A 49 19.220 6.156 -2.525 1.00 1.00 H new ATOM 724 N GLY A 50 17.364 4.469 1.325 1.00 1.00 N ATOM 725 CA GLY A 50 17.022 5.303 2.465 1.00 1.00 C ATOM 726 C GLY A 50 15.507 5.358 2.670 1.00 1.00 C ATOM 727 O GLY A 50 14.972 6.380 3.095 1.00 1.00 O ATOM 0 H GLY A 50 17.888 3.625 1.556 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.500 4.911 3.363 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.409 6.311 2.312 1.00 1.00 H new ATOM 731 N CYS A 51 14.859 4.246 2.358 1.00 1.00 N ATOM 732 CA CYS A 51 13.416 4.155 2.503 1.00 1.00 C ATOM 733 C CYS A 51 13.084 2.825 3.184 1.00 1.00 C ATOM 734 O CYS A 51 13.842 2.340 4.021 1.00 1.00 O ATOM 735 CB CYS A 51 12.702 4.300 1.157 1.00 1.00 C ATOM 736 SG CYS A 51 13.403 5.712 0.227 1.00 1.00 S ATOM 0 H CYS A 51 15.306 3.400 2.005 1.00 1.00 H new ATOM 0 HA CYS A 51 13.058 4.978 3.121 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.810 3.383 0.578 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.635 4.453 1.317 1.00 1.00 H new ATOM 741 N HIS A 52 11.938 2.264 2.796 1.00 1.00 N ATOM 742 CA HIS A 52 11.456 0.997 3.334 1.00 1.00 C ATOM 743 C HIS A 52 11.946 -0.164 2.449 1.00 1.00 C ATOM 744 O HIS A 52 11.162 -0.745 1.701 1.00 1.00 O ATOM 745 CB HIS A 52 9.930 1.072 3.489 1.00 1.00 C ATOM 746 CG HIS A 52 9.358 2.393 3.949 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.359 2.771 5.231 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.763 3.416 3.250 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.788 3.981 5.327 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.401 4.426 4.132 1.00 1.00 N ATOM 0 H HIS A 52 11.319 2.678 2.099 1.00 1.00 H new ATOM 0 HA HIS A 52 11.862 0.804 4.327 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.478 0.821 2.529 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.622 0.303 4.197 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.733 2.228 6.009 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.602 3.432 2.182 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.659 4.524 6.252 1.00 1.00 H new ATOM 758 N ASP A 53 13.232 -0.463 2.567 1.00 1.00 N ATOM 759 CA ASP A 53 13.824 -1.538 1.791 1.00 1.00 C ATOM 760 C ASP A 53 14.458 -2.557 2.740 1.00 1.00 C ATOM 761 O ASP A 53 15.627 -2.911 2.586 1.00 1.00 O ATOM 762 CB ASP A 53 14.921 -1.009 0.864 1.00 1.00 C ATOM 763 CG ASP A 53 16.212 -0.585 1.567 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.258 -0.466 2.800 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.214 -0.369 0.783 1.00 1.00 O ATOM 0 H ASP A 53 13.880 0.021 3.189 1.00 1.00 H new ATOM 0 HA ASP A 53 13.036 -1.996 1.193 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.160 -1.780 0.132 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.529 -0.155 0.311 1.00 1.00 H new ATOM 771 N ASP A 54 13.660 -3.001 3.700 1.00 1.00 N ATOM 772 CA ASP A 54 14.128 -3.972 4.673 1.00 1.00 C ATOM 773 C ASP A 54 12.942 -4.798 5.175 1.00 1.00 C ATOM 774 O ASP A 54 12.234 -4.381 6.090 1.00 1.00 O ATOM 775 CB ASP A 54 14.766 -3.280 5.879 1.00 1.00 C ATOM 776 CG ASP A 54 16.279 -3.467 6.008 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.774 -4.597 6.139 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.968 -2.378 5.968 1.00 1.00 O ATOM 0 H ASP A 54 12.692 -2.706 3.824 1.00 1.00 H new ATOM 0 HA ASP A 54 14.870 -4.605 4.186 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.551 -2.213 5.822 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.291 -3.653 6.786 1.00 1.00 H new ATOM 784 N LEU A 55 12.762 -5.954 4.553 1.00 1.00 N ATOM 785 CA LEU A 55 11.673 -6.842 4.925 1.00 1.00 C ATOM 786 C LEU A 55 12.173 -7.847 5.965 1.00 1.00 C ATOM 787 O LEU A 55 11.545 -8.882 6.185 1.00 1.00 O ATOM 788 CB LEU A 55 11.066 -7.495 3.681 1.00 1.00 C ATOM 789 CG LEU A 55 9.743 -6.902 3.191 1.00 1.00 C ATOM 790 CD1 LEU A 55 9.823 -6.538 1.707 1.00 1.00 C ATOM 791 CD2 LEU A 55 8.576 -7.845 3.488 1.00 1.00 C ATOM 0 H LEU A 55 13.352 -6.296 3.794 1.00 1.00 H new ATOM 0 HA LEU A 55 10.863 -6.279 5.389 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.792 -7.432 2.871 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.912 -8.554 3.889 1.00 1.00 H new ATOM 0 HG LEU A 55 9.558 -5.979 3.740 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.870 -6.119 1.383 1.00 1.00 H new ATOM 0 HD12 LEU A 55 10.613 -5.803 1.555 1.00 1.00 H new ATOM 0 HD13 LEU A 55 10.042 -7.433 1.124 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.648 -7.400 3.130 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.740 -8.797 2.983 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.507 -8.011 4.563 1.00 1.00 H new ATOM 803 N THR A 56 13.298 -7.506 6.577 1.00 1.00 N ATOM 804 CA THR A 56 13.889 -8.365 7.589 1.00 1.00 C ATOM 805 C THR A 56 13.512 -7.878 8.989 1.00 1.00 C ATOM 806 O THR A 56 13.053 -8.660 9.820 1.00 1.00 O ATOM 807 CB THR A 56 15.399 -8.411 7.347 1.00 1.00 C ATOM 808 OG1 THR A 56 15.592 -9.595 6.579 1.00 1.00 O ATOM 809 CG2 THR A 56 16.190 -8.667 8.631 1.00 1.00 C ATOM 0 H THR A 56 13.816 -6.647 6.391 1.00 1.00 H new ATOM 0 HA THR A 56 13.503 -9.382 7.519 1.00 1.00 H new ATOM 0 HB THR A 56 15.724 -7.471 6.902 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.545 -9.701 6.376 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.256 -8.690 8.403 1.00 1.00 H new ATOM 0 HG22 THR A 56 15.989 -7.870 9.347 1.00 1.00 H new ATOM 0 HG23 THR A 56 15.890 -9.623 9.059 1.00 1.00 H new ATOM 817 N ALA A 57 13.719 -6.587 9.207 1.00 1.00 N ATOM 818 CA ALA A 57 13.407 -5.986 10.493 1.00 1.00 C ATOM 819 C ALA A 57 12.100 -6.578 11.024 1.00 1.00 C ATOM 820 O ALA A 57 12.054 -7.085 12.143 1.00 1.00 O ATOM 821 CB ALA A 57 13.339 -4.465 10.342 1.00 1.00 C ATOM 0 H ALA A 57 14.099 -5.941 8.515 1.00 1.00 H new ATOM 0 HA ALA A 57 14.188 -6.207 11.220 1.00 1.00 H new ATOM 0 HB1 ALA A 57 13.105 -4.014 11.306 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.300 -4.091 9.990 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.563 -4.205 9.622 1.00 1.00 H new ATOM 827 N LYS A 58 11.070 -6.494 10.195 1.00 1.00 N ATOM 828 CA LYS A 58 9.766 -7.015 10.568 1.00 1.00 C ATOM 829 C LYS A 58 8.960 -5.914 11.260 1.00 1.00 C ATOM 830 O LYS A 58 7.743 -5.835 11.097 1.00 1.00 O ATOM 831 CB LYS A 58 9.916 -8.286 11.406 1.00 1.00 C ATOM 832 CG LYS A 58 8.665 -9.161 11.305 1.00 1.00 C ATOM 833 CD LYS A 58 7.712 -8.892 12.472 1.00 1.00 C ATOM 834 CE LYS A 58 7.052 -10.187 12.949 1.00 1.00 C ATOM 835 NZ LYS A 58 5.581 -10.099 12.813 1.00 1.00 N ATOM 0 H LYS A 58 11.112 -6.073 9.267 1.00 1.00 H new ATOM 0 HA LYS A 58 9.206 -7.310 9.680 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.786 -8.849 11.067 1.00 1.00 H new ATOM 0 HB3 LYS A 58 10.095 -8.020 12.448 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.155 -8.965 10.362 1.00 1.00 H new ATOM 0 HG3 LYS A 58 8.952 -10.213 11.300 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.260 -8.434 13.296 1.00 1.00 H new ATOM 0 HD3 LYS A 58 6.946 -8.181 12.164 1.00 1.00 H new ATOM 0 HE2 LYS A 58 7.427 -11.029 12.367 1.00 1.00 H new ATOM 0 HE3 LYS A 58 7.316 -10.375 13.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 5.148 -10.986 13.141 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 5.226 -9.308 13.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 5.333 -9.941 11.815 1.00 1.00 H new ATOM 848 N LYS A 59 9.670 -5.092 12.017 1.00 1.00 N ATOM 849 CA LYS A 59 9.037 -3.999 12.735 1.00 1.00 C ATOM 850 C LYS A 59 10.015 -2.827 12.837 1.00 1.00 C ATOM 851 O LYS A 59 11.061 -2.941 13.473 1.00 1.00 O ATOM 852 CB LYS A 59 8.510 -4.481 14.088 1.00 1.00 C ATOM 853 CG LYS A 59 7.098 -5.056 13.953 1.00 1.00 C ATOM 854 CD LYS A 59 6.186 -4.538 15.067 1.00 1.00 C ATOM 855 CE LYS A 59 4.744 -4.402 14.576 1.00 1.00 C ATOM 856 NZ LYS A 59 3.846 -4.043 15.696 1.00 1.00 N ATOM 0 H LYS A 59 10.679 -5.161 12.149 1.00 1.00 H new ATOM 0 HA LYS A 59 8.165 -3.639 12.189 1.00 1.00 H new ATOM 0 HB2 LYS A 59 9.179 -5.241 14.493 1.00 1.00 H new ATOM 0 HB3 LYS A 59 8.503 -3.652 14.796 1.00 1.00 H new ATOM 0 HG2 LYS A 59 6.682 -4.785 12.982 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.140 -6.145 13.989 1.00 1.00 H new ATOM 0 HD2 LYS A 59 6.222 -5.219 15.917 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.547 -3.571 15.418 1.00 1.00 H new ATOM 0 HE2 LYS A 59 4.689 -3.639 13.799 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.417 -5.339 14.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 2.871 -3.955 15.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 3.886 -4.784 16.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 4.149 -3.137 16.107 1.00 1.00 H new ATOM 869 N GLY A 60 9.639 -1.727 12.202 1.00 1.00 N ATOM 870 CA GLY A 60 10.470 -0.535 12.214 1.00 1.00 C ATOM 871 C GLY A 60 10.232 0.312 10.962 1.00 1.00 C ATOM 872 O GLY A 60 9.722 -0.185 9.960 1.00 1.00 O ATOM 0 H GLY A 60 8.770 -1.636 11.676 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.252 0.056 13.104 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.521 -0.820 12.270 1.00 1.00 H new ATOM 876 N GLU A 61 10.612 1.577 11.061 1.00 1.00 N ATOM 877 CA GLU A 61 10.447 2.498 9.950 1.00 1.00 C ATOM 878 C GLU A 61 11.140 1.951 8.700 1.00 1.00 C ATOM 879 O GLU A 61 10.857 2.391 7.587 1.00 1.00 O ATOM 880 CB GLU A 61 10.976 3.889 10.306 1.00 1.00 C ATOM 881 CG GLU A 61 12.260 3.792 11.132 1.00 1.00 C ATOM 882 CD GLU A 61 13.188 4.974 10.844 1.00 1.00 C ATOM 883 OE1 GLU A 61 13.923 4.956 9.846 1.00 1.00 O ATOM 884 OE2 GLU A 61 13.127 5.936 11.701 1.00 1.00 O ATOM 0 H GLU A 61 11.034 1.986 11.895 1.00 1.00 H new ATOM 0 HA GLU A 61 9.382 2.594 9.739 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.168 4.454 9.394 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.219 4.437 10.867 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.013 3.769 12.193 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.774 2.858 10.904 1.00 1.00 H new ATOM 892 N LYS A 62 12.035 1.000 8.927 1.00 1.00 N ATOM 893 CA LYS A 62 12.770 0.389 7.833 1.00 1.00 C ATOM 894 C LYS A 62 12.125 -0.952 7.477 1.00 1.00 C ATOM 895 O LYS A 62 12.820 -1.906 7.130 1.00 1.00 O ATOM 896 CB LYS A 62 14.257 0.284 8.179 1.00 1.00 C ATOM 897 CG LYS A 62 14.712 1.484 9.012 1.00 1.00 C ATOM 898 CD LYS A 62 14.818 1.116 10.493 1.00 1.00 C ATOM 899 CE LYS A 62 15.626 2.163 11.262 1.00 1.00 C ATOM 900 NZ LYS A 62 15.690 1.815 12.699 1.00 1.00 N ATOM 0 H LYS A 62 12.267 0.638 9.852 1.00 1.00 H new ATOM 0 HA LYS A 62 12.717 1.015 6.942 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.441 -0.637 8.731 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.844 0.229 7.262 1.00 1.00 H new ATOM 0 HG2 LYS A 62 15.678 1.836 8.651 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.007 2.306 8.888 1.00 1.00 H new ATOM 0 HD2 LYS A 62 13.820 1.034 10.923 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.291 0.139 10.596 1.00 1.00 H new ATOM 0 HE2 LYS A 62 16.634 2.226 10.852 1.00 1.00 H new ATOM 0 HE3 LYS A 62 15.170 3.145 11.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 16.242 2.536 13.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 14.727 1.777 13.090 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 16.146 0.887 12.812 1.00 1.00 H new ATOM 913 N SER A 63 10.804 -0.982 7.575 1.00 1.00 N ATOM 914 CA SER A 63 10.058 -2.190 7.268 1.00 1.00 C ATOM 915 C SER A 63 8.893 -1.862 6.332 1.00 1.00 C ATOM 916 O SER A 63 8.184 -0.879 6.539 1.00 1.00 O ATOM 917 CB SER A 63 9.542 -2.858 8.544 1.00 1.00 C ATOM 918 OG SER A 63 9.338 -4.257 8.370 1.00 1.00 O ATOM 0 H SER A 63 10.231 -0.189 7.863 1.00 1.00 H new ATOM 0 HA SER A 63 10.730 -2.889 6.770 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.254 -2.693 9.353 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.605 -2.390 8.845 1.00 1.00 H new ATOM 0 HG SER A 63 8.613 -4.557 8.957 1.00 1.00 H new ATOM 924 N LEU A 64 8.733 -2.704 5.322 1.00 1.00 N ATOM 925 CA LEU A 64 7.667 -2.516 4.353 1.00 1.00 C ATOM 926 C LEU A 64 6.495 -3.434 4.706 1.00 1.00 C ATOM 927 O LEU A 64 5.824 -3.998 3.845 1.00 1.00 O ATOM 928 CB LEU A 64 8.194 -2.713 2.930 1.00 1.00 C ATOM 929 CG LEU A 64 7.204 -2.420 1.801 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.787 -0.948 1.806 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.773 -2.850 0.448 1.00 1.00 C ATOM 0 H LEU A 64 9.324 -3.518 5.154 1.00 1.00 H new ATOM 0 HA LEU A 64 7.295 -1.492 4.391 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.067 -2.074 2.796 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.534 -3.744 2.829 1.00 1.00 H new ATOM 0 HG LEU A 64 6.304 -3.010 1.974 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.083 -0.766 0.994 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.313 -0.707 2.758 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.667 -0.320 1.670 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.050 -2.631 -0.337 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.697 -2.306 0.252 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.979 -3.920 0.463 1.00 1.00 H new ATOM 943 N TYR A 65 6.261 -3.573 6.013 1.00 1.00 N ATOM 944 CA TYR A 65 5.188 -4.409 6.512 1.00 1.00 C ATOM 945 C TYR A 65 4.353 -3.632 7.520 1.00 1.00 C ATOM 946 O TYR A 65 3.142 -3.821 7.605 1.00 1.00 O ATOM 947 CB TYR A 65 5.777 -5.663 7.150 1.00 1.00 C ATOM 948 CG TYR A 65 4.907 -6.254 8.234 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.907 -7.176 7.903 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.101 -5.880 9.569 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.100 -7.724 8.908 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.294 -6.427 10.573 1.00 1.00 C ATOM 953 CZ TYR A 65 3.293 -7.350 10.243 1.00 1.00 C ATOM 954 OH TYR A 65 2.507 -7.882 11.222 1.00 1.00 O ATOM 0 H TYR A 65 6.807 -3.112 6.740 1.00 1.00 H new ATOM 0 HA TYR A 65 4.540 -4.706 5.687 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.939 -6.413 6.376 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.754 -5.423 7.570 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.758 -7.465 6.873 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.873 -5.169 9.824 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.329 -8.435 8.653 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.443 -6.137 11.603 1.00 1.00 H new ATOM 0 HH TYR A 65 2.775 -7.517 12.091 1.00 1.00 H new ATOM 964 N TYR A 66 5.006 -2.755 8.286 1.00 1.00 N ATOM 965 CA TYR A 66 4.322 -1.957 9.283 1.00 1.00 C ATOM 966 C TYR A 66 3.766 -0.693 8.642 1.00 1.00 C ATOM 967 O TYR A 66 3.073 0.063 9.320 1.00 1.00 O ATOM 968 CB TYR A 66 5.293 -1.610 10.408 1.00 1.00 C ATOM 969 CG TYR A 66 4.701 -0.698 11.457 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.893 -1.228 12.469 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.960 0.677 11.415 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.344 -0.383 13.441 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.411 1.522 12.388 1.00 1.00 C ATOM 974 CZ TYR A 66 3.603 0.992 13.401 1.00 1.00 C ATOM 975 OH TYR A 66 3.069 1.815 14.348 1.00 1.00 O ATOM 0 H TYR A 66 6.010 -2.586 8.228 1.00 1.00 H new ATOM 0 HA TYR A 66 3.490 -2.524 9.700 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.627 -2.531 10.886 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.176 -1.134 9.981 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.693 -2.289 12.500 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.583 1.086 10.633 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.720 -0.792 14.222 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.611 2.583 12.357 1.00 1.00 H new ATOM 0 HH TYR A 66 3.348 2.738 14.174 1.00 1.00 H new ATOM 985 N VAL A 67 4.075 -0.489 7.369 1.00 1.00 N ATOM 986 CA VAL A 67 3.595 0.686 6.662 1.00 1.00 C ATOM 987 C VAL A 67 2.675 0.249 5.520 1.00 1.00 C ATOM 988 O VAL A 67 2.202 1.080 4.747 1.00 1.00 O ATOM 989 CB VAL A 67 4.780 1.530 6.187 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.724 1.852 7.346 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.527 0.833 5.048 1.00 1.00 C ATOM 0 H VAL A 67 4.652 -1.118 6.810 1.00 1.00 H new ATOM 0 HA VAL A 67 3.008 1.319 7.327 1.00 1.00 H new ATOM 0 HB VAL A 67 4.388 2.472 5.804 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.557 2.452 6.981 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.184 2.409 8.112 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.105 0.924 7.773 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.364 1.453 4.729 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.901 -0.131 5.394 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.849 0.679 4.209 1.00 1.00 H new ATOM 1001 N VAL A 68 2.450 -1.055 5.450 1.00 1.00 N ATOM 1002 CA VAL A 68 1.596 -1.612 4.416 1.00 1.00 C ATOM 1003 C VAL A 68 0.232 -1.956 5.017 1.00 1.00 C ATOM 1004 O VAL A 68 -0.808 -1.643 4.441 1.00 1.00 O ATOM 1005 CB VAL A 68 2.281 -2.814 3.762 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.250 -3.801 3.213 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.248 -2.364 2.665 1.00 1.00 C ATOM 0 H VAL A 68 2.845 -1.742 6.093 1.00 1.00 H new ATOM 0 HA VAL A 68 1.428 -0.881 3.625 1.00 1.00 H new ATOM 0 HB VAL A 68 2.860 -3.328 4.529 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.764 -4.646 2.754 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.619 -4.159 4.027 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.631 -3.303 2.467 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.721 -3.237 2.217 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.700 -1.815 1.899 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.013 -1.718 3.097 1.00 1.00 H new ATOM 1017 N HIS A 69 0.277 -2.603 6.182 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.921 -3.013 6.907 1.00 1.00 C ATOM 1019 C HIS A 69 -1.275 -1.956 7.969 1.00 1.00 C ATOM 1020 O HIS A 69 -2.139 -1.112 7.736 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.702 -4.425 7.469 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.242 -5.483 6.492 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.049 -5.701 6.223 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.949 -6.378 5.726 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.143 -6.694 5.325 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.062 -7.148 4.983 1.00 1.00 N ATOM 0 H HIS A 69 1.148 -2.857 6.648 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.787 -3.070 6.247 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.033 -4.361 8.272 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.637 -4.761 7.918 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.834 -5.195 6.633 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.025 -6.469 5.705 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.074 -7.075 4.931 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.592 -2.039 9.101 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.827 -1.103 10.187 1.00 1.00 C ATOM 1036 C ALA A 70 -2.082 -0.282 9.885 1.00 1.00 C ATOM 1037 O ALA A 70 -2.007 0.758 9.233 1.00 1.00 O ATOM 1038 CB ALA A 70 0.411 -0.224 10.380 1.00 1.00 C ATOM 0 H ALA A 70 0.124 -2.740 9.290 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.999 -1.636 11.122 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.235 0.478 11.195 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.269 -0.852 10.621 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.612 0.328 9.462 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.208 -0.782 10.373 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.478 -0.108 10.164 1.00 1.00 C ATOM 1046 C ARG A 71 -4.746 0.885 11.297 1.00 1.00 C ATOM 1047 O ARG A 71 -5.893 1.250 11.549 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.630 -1.113 10.094 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.975 -1.650 11.484 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.994 -2.746 11.907 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.695 -3.767 12.718 1.00 1.00 N ATOM 1052 CZ ARG A 71 -5.288 -5.048 12.839 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -4.178 -5.477 12.201 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.991 -5.876 13.589 1.00 1.00 N ATOM 0 H ARG A 71 -3.267 -1.646 10.912 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.417 0.426 9.215 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.507 -0.636 9.657 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.357 -1.940 9.438 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.951 -0.836 12.209 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.990 -2.046 11.483 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.552 -3.210 11.025 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.176 -2.312 12.482 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.539 -3.484 13.217 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.641 -4.831 11.623 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.877 -6.447 12.298 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.829 -5.545 14.067 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.696 -6.847 13.690 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.668 1.294 11.949 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.771 2.237 13.049 1.00 1.00 C ATOM 1066 C GLY A 72 -3.386 3.648 12.599 1.00 1.00 C ATOM 1067 O GLY A 72 -3.192 3.893 11.410 1.00 1.00 O ATOM 0 H GLY A 72 -2.718 0.989 11.736 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.790 2.240 13.436 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.121 1.922 13.865 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.288 4.540 13.575 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.930 5.920 13.294 1.00 1.00 C ATOM 1073 C GLU A 73 -1.424 6.038 13.048 1.00 1.00 C ATOM 1074 O GLU A 73 -0.644 6.150 13.992 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.374 6.843 14.430 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.763 7.422 14.155 1.00 1.00 C ATOM 1077 CD GLU A 73 -5.847 6.607 14.863 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -5.697 5.387 15.028 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -6.874 7.284 15.249 1.00 1.00 O ATOM 0 H GLU A 73 -3.450 4.334 14.561 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.452 6.234 12.390 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.386 6.290 15.369 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.655 7.654 14.547 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.803 8.458 14.493 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -4.952 7.430 13.081 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.061 6.008 11.774 1.00 1.00 N ATOM 1088 CA LEU A 74 0.337 6.110 11.392 1.00 1.00 C ATOM 1089 C LEU A 74 0.630 7.537 10.922 1.00 1.00 C ATOM 1090 O LEU A 74 -0.280 8.260 10.518 1.00 1.00 O ATOM 1091 CB LEU A 74 0.690 5.038 10.359 1.00 1.00 C ATOM 1092 CG LEU A 74 0.474 3.588 10.797 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.663 2.627 9.622 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.377 3.233 11.979 1.00 1.00 C ATOM 0 H LEU A 74 -1.711 5.915 10.993 1.00 1.00 H new ATOM 0 HA LEU A 74 0.981 5.918 12.250 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.098 5.218 9.461 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.737 5.161 10.081 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.557 3.483 11.136 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.504 1.603 9.960 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.055 2.866 8.838 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.675 2.726 9.230 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.204 2.197 12.271 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.421 3.359 11.690 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.151 3.889 12.819 1.00 1.00 H new ATOM 1106 N LYS A 75 1.902 7.899 10.992 1.00 1.00 N ATOM 1107 CA LYS A 75 2.326 9.226 10.579 1.00 1.00 C ATOM 1108 C LYS A 75 1.560 9.633 9.319 1.00 1.00 C ATOM 1109 O LYS A 75 1.248 10.807 9.129 1.00 1.00 O ATOM 1110 CB LYS A 75 3.847 9.277 10.417 1.00 1.00 C ATOM 1111 CG LYS A 75 4.499 10.002 11.596 1.00 1.00 C ATOM 1112 CD LYS A 75 4.940 11.412 11.197 1.00 1.00 C ATOM 1113 CE LYS A 75 5.717 12.085 12.330 1.00 1.00 C ATOM 1114 NZ LYS A 75 7.057 11.474 12.474 1.00 1.00 N ATOM 0 H LYS A 75 2.653 7.297 11.329 1.00 1.00 H new ATOM 0 HA LYS A 75 2.086 9.959 11.349 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.243 8.264 10.344 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.101 9.786 9.487 1.00 1.00 H new ATOM 0 HG2 LYS A 75 3.796 10.059 12.427 1.00 1.00 H new ATOM 0 HG3 LYS A 75 5.360 9.433 11.946 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.562 11.363 10.304 1.00 1.00 H new ATOM 0 HD3 LYS A 75 4.066 12.012 10.944 1.00 1.00 H new ATOM 0 HE2 LYS A 75 5.817 13.151 12.127 1.00 1.00 H new ATOM 0 HE3 LYS A 75 5.165 11.989 13.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 7.642 12.064 13.099 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 6.963 10.523 12.885 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 7.509 11.404 11.540 1.00 1.00 H new ATOM 1127 N HIS A 76 1.278 8.638 8.490 1.00 1.00 N ATOM 1128 CA HIS A 76 0.554 8.878 7.253 1.00 1.00 C ATOM 1129 C HIS A 76 -0.720 8.031 7.232 1.00 1.00 C ATOM 1130 O HIS A 76 -1.359 7.839 8.266 1.00 1.00 O ATOM 1131 CB HIS A 76 1.453 8.627 6.040 1.00 1.00 C ATOM 1132 CG HIS A 76 1.051 9.400 4.807 1.00 1.00 C ATOM 1133 ND1 HIS A 76 0.638 10.720 4.852 1.00 1.00 N ATOM 1134 CD2 HIS A 76 1.004 9.026 3.496 1.00 1.00 C ATOM 1135 CE1 HIS A 76 0.357 11.113 3.618 1.00 1.00 C ATOM 1136 NE2 HIS A 76 0.584 10.062 2.780 1.00 1.00 N ATOM 0 H HIS A 76 1.538 7.665 8.651 1.00 1.00 H new ATOM 0 HA HIS A 76 0.254 9.925 7.200 1.00 1.00 H new ATOM 0 HB2 HIS A 76 2.479 8.887 6.301 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.443 7.562 5.808 1.00 1.00 H new ATOM 0 HD2 HIS A 76 1.264 8.053 3.107 1.00 1.00 H new ATOM 0 HE1 HIS A 76 0.009 12.093 3.327 1.00 1.00 H new ATOM 0 HE2 HIS A 76 0.453 10.070 1.769 1.00 1.00 H new ATOM 1144 N THR A 77 -1.052 7.548 6.044 1.00 1.00 N ATOM 1145 CA THR A 77 -2.238 6.726 5.875 1.00 1.00 C ATOM 1146 C THR A 77 -1.877 5.398 5.208 1.00 1.00 C ATOM 1147 O THR A 77 -1.633 5.349 4.003 1.00 1.00 O ATOM 1148 CB THR A 77 -3.269 7.540 5.089 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.300 8.798 5.757 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.690 6.997 5.250 1.00 1.00 C ATOM 0 H THR A 77 -0.520 7.710 5.189 1.00 1.00 H new ATOM 0 HA THR A 77 -2.676 6.461 6.838 1.00 1.00 H new ATOM 0 HB THR A 77 -3.000 7.544 4.033 1.00 1.00 H new ATOM 0 HG1 THR A 77 -3.942 9.389 5.312 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.382 7.610 4.672 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.730 5.969 4.890 1.00 1.00 H new ATOM 0 HG23 THR A 77 -4.973 7.024 6.302 1.00 1.00 H new ATOM 1158 N SER A 78 -1.852 4.352 6.021 1.00 1.00 N ATOM 1159 CA SER A 78 -1.524 3.026 5.525 1.00 1.00 C ATOM 1160 C SER A 78 -2.632 2.526 4.595 1.00 1.00 C ATOM 1161 O SER A 78 -3.706 3.121 4.528 1.00 1.00 O ATOM 1162 CB SER A 78 -1.316 2.042 6.678 1.00 1.00 C ATOM 1163 OG SER A 78 -1.457 2.672 7.949 1.00 1.00 O ATOM 0 H SER A 78 -2.054 4.396 7.020 1.00 1.00 H new ATOM 0 HA SER A 78 -0.591 3.092 4.966 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.036 1.228 6.595 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.323 1.598 6.601 1.00 1.00 H new ATOM 0 HG SER A 78 -1.988 2.099 8.541 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.331 1.439 3.901 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.288 0.852 2.977 1.00 1.00 C ATOM 1171 C CYS A 79 -4.508 0.392 3.778 1.00 1.00 C ATOM 1172 O CYS A 79 -5.601 0.933 3.617 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.669 -0.292 2.172 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.035 0.083 1.438 1.00 1.00 S ATOM 0 H CYS A 79 -1.438 0.949 3.959 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.595 1.598 2.245 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.569 -1.162 2.821 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.356 -0.568 1.372 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.280 -0.603 4.622 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.347 -1.143 5.448 1.00 1.00 C ATOM 1181 C LEU A 80 -6.085 0.008 6.136 1.00 1.00 C ATOM 1182 O LEU A 80 -7.239 -0.142 6.537 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.796 -2.188 6.420 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.873 -3.643 5.955 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.208 -4.276 6.351 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.610 -3.752 4.451 1.00 1.00 C ATOM 0 H LEU A 80 -3.372 -1.050 4.752 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.077 -1.668 4.832 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.753 -1.948 6.627 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.337 -2.099 7.362 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.088 -4.205 6.461 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.236 -5.310 6.008 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.316 -4.250 7.435 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -7.025 -3.719 5.892 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.671 -4.797 4.146 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.356 -3.172 3.908 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.616 -3.365 4.227 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.391 1.130 6.250 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.966 2.305 6.882 1.00 1.00 C ATOM 1200 C ALA A 81 -7.163 2.786 6.061 1.00 1.00 C ATOM 1201 O ALA A 81 -8.308 2.655 6.490 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.890 3.383 7.031 1.00 1.00 C ATOM 0 H ALA A 81 -4.435 1.251 5.915 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.327 2.065 7.882 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.321 4.265 7.505 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.076 3.002 7.647 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.506 3.652 6.047 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.858 3.334 4.893 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.895 3.835 4.008 1.00 1.00 C ATOM 1210 C CYS A 82 -8.962 2.749 3.855 1.00 1.00 C ATOM 1211 O CYS A 82 -10.118 2.946 4.222 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.324 4.268 2.656 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.666 4.893 1.580 1.00 1.00 S ATOM 0 H CYS A 82 -5.907 3.442 4.540 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.346 4.728 4.441 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.572 5.044 2.801 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.825 3.426 2.176 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.534 1.612 3.305 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.407 0.465 3.079 1.00 1.00 C ATOM 1220 C HIS A 83 -10.388 0.317 4.256 1.00 1.00 C ATOM 1221 O HIS A 83 -11.500 -0.176 4.076 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.539 -0.775 2.820 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.980 -0.935 1.425 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.697 -2.128 0.895 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.660 -0.004 0.465 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.219 -1.949 -0.347 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.175 -0.656 -0.663 1.00 1.00 N ATOM 0 H HIS A 83 -7.571 1.463 3.004 1.00 1.00 H new ATOM 0 HA HIS A 83 -10.028 0.604 2.194 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.704 -0.758 3.521 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.132 -1.660 3.052 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.823 -3.028 1.358 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.768 1.065 0.571 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.911 -2.749 -1.004 1.00 1.00 H new ATOM 1235 N SER A 84 -9.941 0.753 5.425 1.00 1.00 N ATOM 1236 CA SER A 84 -10.766 0.674 6.618 1.00 1.00 C ATOM 1237 C SER A 84 -12.070 1.445 6.405 1.00 1.00 C ATOM 1238 O SER A 84 -13.153 0.929 6.677 1.00 1.00 O ATOM 1239 CB SER A 84 -10.021 1.218 7.839 1.00 1.00 C ATOM 1240 OG SER A 84 -10.578 0.739 9.061 1.00 1.00 O ATOM 0 H SER A 84 -9.018 1.162 5.571 1.00 1.00 H new ATOM 0 HA SER A 84 -10.998 -0.375 6.805 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.971 0.930 7.781 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.054 2.307 7.828 1.00 1.00 H new ATOM 0 HG SER A 84 -10.074 1.107 9.817 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.924 2.670 5.920 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.076 3.517 5.667 1.00 1.00 C ATOM 1248 C LYS A 85 -13.883 2.939 4.502 1.00 1.00 C ATOM 1249 O LYS A 85 -15.112 2.998 4.504 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.639 4.967 5.452 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.830 5.921 5.557 1.00 1.00 C ATOM 1252 CD LYS A 85 -14.230 6.453 4.180 1.00 1.00 C ATOM 1253 CE LYS A 85 -15.680 6.092 3.852 1.00 1.00 C ATOM 1254 NZ LYS A 85 -16.239 7.038 2.861 1.00 1.00 N ATOM 0 H LYS A 85 -11.025 3.096 5.696 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.735 3.533 6.535 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.886 5.237 6.193 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.173 5.068 4.472 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.676 5.404 6.011 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.577 6.754 6.213 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -14.107 7.536 4.155 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -13.568 6.039 3.420 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.728 5.076 3.461 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -16.280 6.112 4.761 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -17.096 6.630 2.436 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -16.479 7.933 3.333 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -15.535 7.217 2.116 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.159 2.394 3.536 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.792 1.805 2.368 1.00 1.00 C ATOM 1269 C VAL A 86 -14.735 0.686 2.813 1.00 1.00 C ATOM 1270 O VAL A 86 -15.889 0.637 2.392 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.726 1.331 1.378 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.364 0.610 0.189 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.856 2.498 0.909 1.00 1.00 C ATOM 0 H VAL A 86 -12.140 2.348 3.538 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.394 2.548 1.845 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.082 0.620 1.895 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.585 0.283 -0.499 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.920 -0.257 0.545 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.042 1.289 -0.327 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.107 2.134 0.206 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.481 3.244 0.418 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.359 2.949 1.768 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.208 -0.186 3.660 1.00 1.00 N ATOM 1284 CA VAL A 87 -14.988 -1.303 4.167 1.00 1.00 C ATOM 1285 C VAL A 87 -16.273 -0.772 4.806 1.00 1.00 C ATOM 1286 O VAL A 87 -17.239 -1.516 4.975 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.142 -2.137 5.131 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.028 -2.976 6.054 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.153 -3.021 4.368 1.00 1.00 C ATOM 0 H VAL A 87 -13.250 -0.142 4.008 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.279 -1.967 3.353 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.568 -1.450 5.752 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.401 -3.559 6.729 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.673 -2.318 6.636 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.642 -3.650 5.456 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.564 -3.603 5.077 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.701 -3.696 3.710 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.489 -2.394 3.773 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.244 0.508 5.142 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.395 1.147 5.758 1.00 1.00 C ATOM 1301 C ALA A 88 -18.371 1.591 4.667 1.00 1.00 C ATOM 1302 O ALA A 88 -19.337 2.300 4.944 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.926 2.313 6.631 1.00 1.00 C ATOM 0 H ALA A 88 -15.441 1.121 5.000 1.00 1.00 H new ATOM 0 HA ALA A 88 -17.922 0.446 6.406 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.789 2.792 7.093 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.259 1.940 7.408 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.395 3.038 6.015 1.00 1.00 H new ATOM 1309 N GLU A 89 -18.086 1.154 3.449 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.926 1.498 2.315 1.00 1.00 C ATOM 1311 C GLU A 89 -19.449 0.229 1.638 1.00 1.00 C ATOM 1312 O GLU A 89 -20.627 0.146 1.293 1.00 1.00 O ATOM 1313 CB GLU A 89 -18.170 2.379 1.319 1.00 1.00 C ATOM 1314 CG GLU A 89 -19.056 3.519 0.812 1.00 1.00 C ATOM 1315 CD GLU A 89 -18.324 4.860 0.895 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -18.618 5.673 1.784 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -17.419 5.044 -0.006 1.00 1.00 O ATOM 0 H GLU A 89 -17.285 0.565 3.223 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.779 2.070 2.680 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -17.279 2.790 1.795 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.832 1.775 0.477 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -19.351 3.325 -0.219 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -19.971 3.563 1.402 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.548 -0.727 1.469 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.903 -1.988 0.839 1.00 1.00 C ATOM 1327 C LYS A 90 -18.579 -3.139 1.794 1.00 1.00 C ATOM 1328 O LYS A 90 -17.589 -3.852 1.643 1.00 1.00 O ATOM 1329 CB LYS A 90 -18.228 -2.113 -0.528 1.00 1.00 C ATOM 1330 CG LYS A 90 -19.200 -2.670 -1.570 1.00 1.00 C ATOM 1331 CD LYS A 90 -18.654 -2.479 -2.987 1.00 1.00 C ATOM 1332 CE LYS A 90 -19.232 -1.217 -3.631 1.00 1.00 C ATOM 1333 NZ LYS A 90 -19.100 -1.280 -5.103 1.00 1.00 N ATOM 0 H LYS A 90 -17.572 -0.654 1.757 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.975 -2.028 0.643 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.865 -1.137 -0.849 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -17.359 -2.766 -0.450 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -19.372 -3.730 -1.382 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -20.164 -2.170 -1.477 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -17.567 -2.410 -2.956 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -18.901 -3.348 -3.596 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -20.282 -1.111 -3.358 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -18.713 -0.337 -3.251 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -19.497 -0.416 -5.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -18.095 -1.360 -5.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -19.615 -2.109 -5.463 1.00 1.00 H new ATOM 1346 N PRO A 91 -19.447 -3.305 2.794 1.00 1.00 N ATOM 1347 CA PRO A 91 -19.336 -4.330 3.809 1.00 1.00 C ATOM 1348 C PRO A 91 -19.032 -5.669 3.151 1.00 1.00 C ATOM 1349 O PRO A 91 -18.522 -6.560 3.828 1.00 1.00 O ATOM 1350 CB PRO A 91 -20.701 -4.353 4.493 1.00 1.00 C ATOM 1351 CG PRO A 91 -21.240 -3.003 4.297 1.00 1.00 C ATOM 1352 CD PRO A 91 -20.621 -2.484 3.001 1.00 1.00 C ATOM 0 HA PRO A 91 -18.534 -4.137 4.522 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -21.352 -5.107 4.051 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -20.609 -4.592 5.552 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -22.328 -3.024 4.228 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -20.986 -2.356 5.137 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -21.317 -2.573 2.167 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -20.356 -1.430 3.084 1.00 1.00 H new ATOM 1360 N GLU A 92 -19.346 -5.785 1.870 1.00 1.00 N ATOM 1361 CA GLU A 92 -19.099 -7.022 1.148 1.00 1.00 C ATOM 1362 C GLU A 92 -17.682 -7.026 0.572 1.00 1.00 C ATOM 1363 O GLU A 92 -17.378 -7.801 -0.335 1.00 1.00 O ATOM 1364 CB GLU A 92 -20.140 -7.232 0.046 1.00 1.00 C ATOM 1365 CG GLU A 92 -20.017 -6.157 -1.036 1.00 1.00 C ATOM 1366 CD GLU A 92 -20.670 -6.615 -2.341 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -20.094 -7.441 -3.066 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -21.818 -6.084 -2.592 1.00 1.00 O ATOM 0 H GLU A 92 -19.769 -5.043 1.313 1.00 1.00 H new ATOM 0 HA GLU A 92 -19.188 -7.852 1.848 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -20.009 -8.218 -0.400 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -21.141 -7.207 0.477 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -20.488 -5.236 -0.693 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -18.965 -5.931 -1.211 1.00 1.00 H new ATOM 1376 N LEU A 93 -16.851 -6.152 1.121 1.00 1.00 N ATOM 1377 CA LEU A 93 -15.473 -6.045 0.672 1.00 1.00 C ATOM 1378 C LEU A 93 -14.536 -6.258 1.863 1.00 1.00 C ATOM 1379 O LEU A 93 -13.328 -6.055 1.750 1.00 1.00 O ATOM 1380 CB LEU A 93 -15.249 -4.719 -0.058 1.00 1.00 C ATOM 1381 CG LEU A 93 -15.406 -4.757 -1.579 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -14.366 -5.682 -2.215 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -16.833 -5.141 -1.974 1.00 1.00 C ATOM 0 H LEU A 93 -17.106 -5.511 1.873 1.00 1.00 H new ATOM 0 HA LEU A 93 -15.247 -6.825 -0.056 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.948 -3.984 0.341 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -14.245 -4.364 0.175 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.224 -3.754 -1.966 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -14.500 -5.691 -3.297 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.365 -5.323 -1.976 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.491 -6.692 -1.826 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -16.917 -5.161 -3.061 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -17.068 -6.127 -1.574 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.532 -4.409 -1.569 1.00 1.00 H new ATOM 1395 N LYS A 94 -15.129 -6.663 2.977 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.362 -6.905 4.187 1.00 1.00 C ATOM 1397 C LYS A 94 -13.311 -7.982 3.912 1.00 1.00 C ATOM 1398 O LYS A 94 -12.127 -7.782 4.182 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.294 -7.239 5.354 1.00 1.00 C ATOM 1400 CG LYS A 94 -14.591 -7.024 6.695 1.00 1.00 C ATOM 1401 CD LYS A 94 -14.163 -8.358 7.310 1.00 1.00 C ATOM 1402 CE LYS A 94 -14.782 -8.547 8.696 1.00 1.00 C ATOM 1403 NZ LYS A 94 -14.122 -7.663 9.683 1.00 1.00 N ATOM 0 H LYS A 94 -16.131 -6.829 3.067 1.00 1.00 H new ATOM 0 HA LYS A 94 -13.826 -6.004 4.485 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.186 -6.614 5.302 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -15.625 -8.274 5.275 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -13.717 -6.388 6.554 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -15.259 -6.501 7.380 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -14.466 -9.177 6.658 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -13.076 -8.396 7.385 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -15.849 -8.327 8.658 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -14.682 -9.587 9.007 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -14.554 -7.804 10.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -13.109 -7.892 9.731 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -14.239 -6.671 9.393 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.780 -9.100 3.379 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.895 -10.209 3.065 1.00 1.00 C ATOM 1418 C LYS A 95 -12.361 -10.042 1.641 1.00 1.00 C ATOM 1419 O LYS A 95 -12.177 -11.025 0.924 1.00 1.00 O ATOM 1420 CB LYS A 95 -13.603 -11.544 3.304 1.00 1.00 C ATOM 1421 CG LYS A 95 -12.889 -12.357 4.386 1.00 1.00 C ATOM 1422 CD LYS A 95 -11.913 -13.359 3.764 1.00 1.00 C ATOM 1423 CE LYS A 95 -11.261 -14.228 4.841 1.00 1.00 C ATOM 1424 NZ LYS A 95 -10.631 -15.421 4.232 1.00 1.00 N ATOM 0 H LYS A 95 -14.762 -9.262 3.156 1.00 1.00 H new ATOM 0 HA LYS A 95 -12.032 -10.209 3.731 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -14.636 -11.364 3.602 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -13.634 -12.115 2.376 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -12.350 -11.686 5.054 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -13.624 -12.887 4.992 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -12.441 -13.992 3.051 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -11.143 -12.825 3.207 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -10.511 -13.649 5.380 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -12.010 -14.537 5.570 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -10.193 -16.000 4.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -11.354 -15.981 3.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -9.902 -15.121 3.553 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.128 -8.791 1.273 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.619 -8.483 -0.052 1.00 1.00 C ATOM 1439 C ASP A 96 -10.591 -7.354 0.050 1.00 1.00 C ATOM 1440 O ASP A 96 -9.506 -7.443 -0.522 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.743 -8.016 -0.979 1.00 1.00 C ATOM 1442 CG ASP A 96 -13.095 -8.987 -2.109 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.560 -10.103 -2.181 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -13.970 -8.550 -2.950 1.00 1.00 O ATOM 0 H ASP A 96 -12.283 -7.978 1.870 1.00 1.00 H new ATOM 0 HA ASP A 96 -11.169 -9.389 -0.458 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.637 -7.839 -0.381 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.458 -7.060 -1.418 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.969 -6.318 0.784 1.00 1.00 N ATOM 1451 CA LEU A 97 -10.094 -5.173 0.969 1.00 1.00 C ATOM 1452 C LEU A 97 -9.293 -5.352 2.260 1.00 1.00 C ATOM 1453 O LEU A 97 -8.257 -4.715 2.445 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.897 -3.871 0.919 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.559 -3.542 -0.420 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -12.130 -2.122 -0.415 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.587 -3.764 -1.581 1.00 1.00 C ATOM 0 H LEU A 97 -11.870 -6.248 1.258 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.374 -5.108 0.153 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.672 -3.916 1.684 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -10.234 -3.048 1.186 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.396 -4.225 -0.565 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.595 -1.913 -1.379 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.876 -2.033 0.375 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.326 -1.407 -0.238 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.082 -3.523 -2.521 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.716 -3.121 -1.454 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.269 -4.807 -1.595 1.00 1.00 H new ATOM 1469 N THR A 98 -9.803 -6.221 3.120 1.00 1.00 N ATOM 1470 CA THR A 98 -9.148 -6.492 4.388 1.00 1.00 C ATOM 1471 C THR A 98 -9.094 -7.998 4.649 1.00 1.00 C ATOM 1472 O THR A 98 -9.269 -8.443 5.783 1.00 1.00 O ATOM 1473 CB THR A 98 -9.887 -5.713 5.478 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.941 -6.585 5.874 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.609 -4.481 4.929 1.00 1.00 C ATOM 0 H THR A 98 -10.663 -6.747 2.963 1.00 1.00 H new ATOM 0 HA THR A 98 -8.110 -6.158 4.376 1.00 1.00 H new ATOM 0 HB THR A 98 -9.179 -5.406 6.248 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.513 -6.778 5.102 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.117 -3.964 5.743 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.884 -3.809 4.469 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.341 -4.791 4.183 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.849 -8.743 3.581 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.769 -10.191 3.680 1.00 1.00 C ATOM 1485 C GLY A 99 -7.313 -10.658 3.716 1.00 1.00 C ATOM 1486 O GLY A 99 -6.520 -10.298 2.848 1.00 1.00 O ATOM 0 H GLY A 99 -8.703 -8.371 2.642 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.285 -10.527 4.580 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.280 -10.646 2.831 1.00 1.00 H new ATOM 1490 N CYS A 100 -7.006 -11.454 4.730 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.659 -11.975 4.891 1.00 1.00 C ATOM 1492 C CYS A 100 -5.395 -12.980 3.768 1.00 1.00 C ATOM 1493 O CYS A 100 -4.259 -13.133 3.321 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.455 -12.598 6.274 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.629 -11.432 7.674 1.00 1.00 S ATOM 0 H CYS A 100 -7.667 -11.751 5.448 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.940 -11.159 4.823 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.174 -13.407 6.402 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.462 -13.045 6.313 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.463 -13.638 3.343 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.361 -14.624 2.281 1.00 1.00 C ATOM 1502 C ALA A 101 -7.627 -14.576 1.423 1.00 1.00 C ATOM 1503 O ALA A 101 -8.623 -13.968 1.813 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.121 -16.007 2.889 1.00 1.00 C ATOM 0 H ALA A 101 -7.404 -13.508 3.715 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.514 -14.402 1.632 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.045 -16.747 2.092 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.195 -15.996 3.464 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.952 -16.265 3.545 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.548 -15.224 0.270 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.675 -15.263 -0.646 1.00 1.00 C ATOM 1512 C LYS A 102 -9.250 -13.853 -0.800 1.00 1.00 C ATOM 1513 O LYS A 102 -10.465 -13.668 -0.766 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.702 -16.300 -0.188 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.114 -17.712 -0.234 1.00 1.00 C ATOM 1516 CD LYS A 102 -9.967 -18.633 -1.109 1.00 1.00 C ATOM 1517 CE LYS A 102 -10.838 -19.552 -0.250 1.00 1.00 C ATOM 1518 NZ LYS A 102 -10.861 -20.920 -0.815 1.00 1.00 N ATOM 0 H LYS A 102 -6.720 -15.726 -0.051 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.351 -15.585 -1.636 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -10.028 -16.071 0.827 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.585 -16.249 -0.825 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -8.097 -17.674 -0.624 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -9.053 -18.118 0.776 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -10.600 -18.035 -1.765 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -9.321 -19.233 -1.750 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -10.453 -19.579 0.769 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -11.852 -19.157 -0.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -11.456 -21.531 -0.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -11.249 -20.891 -1.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -9.893 -21.300 -0.843 1.00 1.00 H new ATOM 1531 N SER A 103 -8.349 -12.896 -0.966 1.00 1.00 N ATOM 1532 CA SER A 103 -8.752 -11.509 -1.125 1.00 1.00 C ATOM 1533 C SER A 103 -8.179 -10.944 -2.426 1.00 1.00 C ATOM 1534 O SER A 103 -7.794 -11.698 -3.319 1.00 1.00 O ATOM 1535 CB SER A 103 -8.298 -10.663 0.066 1.00 1.00 C ATOM 1536 OG SER A 103 -9.393 -10.021 0.714 1.00 1.00 O ATOM 0 H SER A 103 -7.342 -13.054 -0.994 1.00 1.00 H new ATOM 0 HA SER A 103 -9.841 -11.472 -1.168 1.00 1.00 H new ATOM 0 HB2 SER A 103 -7.774 -11.297 0.782 1.00 1.00 H new ATOM 0 HB3 SER A 103 -7.586 -9.911 -0.274 1.00 1.00 H new ATOM 0 HG SER A 103 -10.150 -10.641 0.768 1.00 1.00 H new ATOM 1542 N LYS A 104 -8.141 -9.621 -2.493 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.621 -8.946 -3.670 1.00 1.00 C ATOM 1544 C LYS A 104 -6.162 -8.557 -3.428 1.00 1.00 C ATOM 1545 O LYS A 104 -5.587 -7.783 -4.191 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.517 -7.765 -4.050 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.985 -8.069 -3.741 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.517 -9.183 -4.645 1.00 1.00 C ATOM 1549 CE LYS A 104 -11.512 -8.631 -5.667 1.00 1.00 C ATOM 1550 NZ LYS A 104 -12.471 -9.681 -6.076 1.00 1.00 N ATOM 0 H LYS A 104 -8.462 -8.999 -1.751 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.634 -9.616 -4.529 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -8.203 -6.875 -3.504 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.403 -7.544 -5.111 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -10.087 -8.364 -2.697 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.583 -7.168 -3.878 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -9.687 -9.663 -5.163 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -11.000 -9.949 -4.038 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -12.050 -7.785 -5.239 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -10.977 -8.259 -6.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -13.139 -9.289 -6.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.954 -10.476 -6.503 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -12.995 -10.017 -5.242 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.604 -9.111 -2.361 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.223 -8.832 -2.008 1.00 1.00 C ATOM 1565 C CYS A 105 -3.491 -10.165 -1.840 1.00 1.00 C ATOM 1566 O CYS A 105 -2.457 -10.400 -2.462 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.124 -7.965 -0.752 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.636 -6.260 -1.205 1.00 1.00 S ATOM 0 H CYS A 105 -6.084 -9.752 -1.729 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.751 -8.257 -2.805 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.082 -7.952 -0.233 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.394 -8.390 -0.063 1.00 1.00 H new ATOM 1573 N HIS A 106 -4.061 -11.017 -0.987 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.509 -12.336 -0.697 1.00 1.00 C ATOM 1575 C HIS A 106 -4.429 -13.425 -1.279 1.00 1.00 C ATOM 1576 O HIS A 106 -5.064 -14.189 -0.555 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.268 -12.453 0.815 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.196 -11.566 1.403 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.908 -11.669 1.060 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.265 -10.551 2.328 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.202 -10.755 1.744 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.991 -10.038 2.542 1.00 1.00 N ATOM 0 H HIS A 106 -4.920 -10.809 -0.478 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.542 -12.479 -1.179 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.206 -12.237 1.326 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -3.013 -13.489 1.040 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.524 -12.334 0.388 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.167 -10.207 2.812 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.866 -10.619 1.658 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.483 -13.475 -2.612 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.281 -14.422 -3.361 1.00 1.00 C ATOM 1592 C PRO A 107 -4.754 -15.830 -3.129 1.00 1.00 C ATOM 1593 O PRO A 107 -3.645 -16.006 -2.630 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.113 -14.007 -4.821 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.796 -13.271 -4.859 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.750 -12.592 -3.493 1.00 1.00 C ATOM 0 HA PRO A 107 -6.330 -14.423 -3.063 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.101 -14.875 -5.481 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.933 -13.368 -5.148 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.956 -13.951 -5.001 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -3.761 -12.546 -5.673 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.723 -12.458 -3.153 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.205 -11.602 -3.528 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.713 2.762 -7.606 1.00 1.00 C HETATM 1606 CHB HEM A 233 3.258 6.747 -9.998 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.562 7.174 -7.008 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.684 2.928 -4.874 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.655 3.832 -8.493 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.665 4.120 -9.485 1.00 1.00 C HETATM 1611 C3A HEM A 233 5.264 5.224 -10.150 1.00 1.00 C HETATM 1612 C4A HEM A 233 4.003 5.631 -9.576 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.963 5.929 -11.276 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.911 3.312 -9.700 1.00 1.00 C HETATM 1615 CBA HEM A 233 8.161 3.921 -9.071 1.00 1.00 C HETATM 1616 CGA HEM A 233 9.204 2.851 -8.780 1.00 1.00 C HETATM 1617 O1A HEM A 233 10.395 3.138 -9.028 1.00 1.00 O HETATM 1618 O2A HEM A 233 8.791 1.767 -8.314 1.00 1.00 O HETATM 1619 C1B HEM A 233 2.123 7.227 -9.354 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.479 8.481 -9.670 1.00 1.00 C HETATM 1621 C3B HEM A 233 0.419 8.602 -8.843 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.396 7.425 -8.007 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.938 9.439 -10.730 1.00 1.00 C HETATM 1624 CAB HEM A 233 -0.572 9.726 -8.770 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.266 10.029 -10.095 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.571 6.023 -6.124 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.473 5.806 -5.018 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.113 4.644 -4.434 1.00 1.00 C HETATM 1629 C4C HEM A 233 0.016 4.129 -5.173 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.590 6.730 -4.627 1.00 1.00 C HETATM 1631 CAC HEM A 233 -1.737 3.976 -3.244 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.257 3.868 -3.319 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.917 2.559 -5.401 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.716 1.462 -4.908 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.834 1.414 -5.663 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.738 2.480 -6.632 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.334 0.569 -3.764 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.982 0.453 -5.553 1.00 1.00 C HETATM 1639 CBD HEM A 233 5.056 -0.559 -6.693 1.00 1.00 C HETATM 1640 CGD HEM A 233 5.771 -1.828 -6.253 1.00 1.00 C HETATM 1641 O1D HEM A 233 5.387 -2.902 -6.765 1.00 1.00 O HETATM 1642 O2D HEM A 233 6.689 -1.701 -5.414 1.00 1.00 O HETATM 1643 NA HEM A 233 3.638 4.768 -8.558 1.00 1.00 N HETATM 1644 NB HEM A 233 1.449 6.586 -8.330 1.00 1.00 N HETATM 1645 NC HEM A 233 0.341 4.986 -6.211 1.00 1.00 N HETATM 1646 ND HEM A 233 2.556 3.179 -6.462 1.00 1.00 N HETATM 1647 FE HEM A 233 1.954 4.916 -7.313 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 5.225 6.403 -11.923 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 6.541 5.208 -11.854 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 6.631 6.689 -10.871 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 3.020 9.365 -10.844 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.672 10.456 -10.441 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 1.456 9.193 -11.676 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.325 7.754 -4.891 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -2.757 6.664 -3.552 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.500 6.444 -5.154 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 2.764 -0.421 -3.916 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 1.248 0.489 -3.712 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 2.712 0.990 -2.832 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.005 10.828 -10.153 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.022 9.446 -10.983 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -3.811 3.399 -2.506 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -3.789 4.260 -4.186 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 7.894 4.434 -8.147 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 8.581 4.670 -9.742 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 7.076 3.195 -10.771 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 6.760 2.314 -9.290 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 5.580 -0.118 -7.541 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 4.049 -0.804 -7.032 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 4.903 -0.085 -4.608 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 5.914 1.018 -5.521 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.566 2.102 -7.670 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.591 7.267 -10.884 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.356 7.897 -6.889 1.00 1.00 H new HETATM 0 HHD HEM A 233 0.206 2.245 -4.187 1.00 1.00 H new HETATM 0 HAB HEM A 233 -0.778 10.277 -7.852 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.156 3.601 -2.401 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.369 7.014 7.001 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.454 4.577 3.954 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.696 5.157 0.366 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.705 7.464 3.481 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.297 6.304 6.472 1.00 1.00 C HETATM 1653 C2A HEM A 251 5.116 5.941 7.219 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.306 5.265 6.377 1.00 1.00 C HETATM 1655 C4A HEM A 251 4.977 5.203 5.100 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.957 4.673 6.668 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.877 6.274 8.663 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.767 5.503 9.634 1.00 1.00 C HETATM 1659 CGA HEM A 251 4.955 4.502 10.443 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.301 4.951 11.409 1.00 1.00 O HETATM 1661 O2A HEM A 251 5.004 3.307 10.082 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.117 4.484 2.734 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.656 3.691 1.619 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.553 3.850 0.622 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.577 4.742 1.111 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.406 2.861 1.613 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.530 3.237 -0.748 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.166 3.290 -1.429 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.814 5.894 0.897 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.083 6.054 0.228 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.921 6.648 1.103 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.179 6.864 2.322 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.371 5.622 -1.181 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.357 7.032 0.892 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.554 8.191 -0.081 1.00 1.00 C HETATM 1676 C1D HEM A 251 10.064 7.494 4.714 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.673 7.967 5.935 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.751 7.844 6.913 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.561 7.293 6.307 1.00 1.00 C HETATM 1680 CMD HEM A 251 12.075 8.490 6.048 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.890 8.198 8.365 1.00 1.00 C HETATM 1682 CBD HEM A 251 10.818 9.380 8.629 1.00 1.00 C HETATM 1683 CGD HEM A 251 12.259 8.920 8.795 1.00 1.00 C HETATM 1684 O1D HEM A 251 12.440 7.796 9.310 1.00 1.00 O HETATM 1685 O2D HEM A 251 13.153 9.702 8.403 1.00 1.00 O HETATM 1686 NA HEM A 251 6.201 5.845 5.169 1.00 1.00 N HETATM 1687 NB HEM A 251 6.300 5.126 2.412 1.00 1.00 N HETATM 1688 NC HEM A 251 8.884 6.396 2.185 1.00 1.00 N HETATM 1689 ND HEM A 251 8.764 7.082 4.955 1.00 1.00 N HETATM 1690 FE HEM A 251 7.520 6.057 3.728 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.353 4.680 5.760 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.460 5.262 7.439 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 3.077 3.647 7.016 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.198 2.510 2.624 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.541 2.005 0.952 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.570 3.465 1.259 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.127 6.277 -1.615 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.458 5.680 -1.773 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.738 4.596 -1.179 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.706 8.003 5.305 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.462 8.281 7.045 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 12.077 9.566 5.876 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.039 2.872 -2.428 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.319 3.746 -0.917 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.559 8.550 -0.305 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.690 8.660 -0.552 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.266 6.200 10.307 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.547 4.981 9.081 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.833 6.072 8.904 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 5.037 7.342 8.810 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 10.495 9.906 9.528 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 10.752 10.089 7.804 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 10.263 7.329 8.906 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 8.904 8.426 8.769 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.281 7.376 8.015 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.470 4.138 4.026 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.718 4.904 -0.684 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.675 7.934 3.407 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.410 2.794 -1.215 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.185 6.528 1.390 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.025 -1.428 -4.141 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.462 -2.539 -2.852 1.00 1.00 C HETATM 1693 CHC HEM A 282 -4.033 1.764 -0.610 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.670 2.813 -1.772 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.802 -2.077 -4.013 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.479 -3.332 -4.648 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.214 -3.643 -4.293 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.742 -2.583 -3.434 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.412 -4.848 -4.691 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.408 -4.112 -5.532 1.00 1.00 C HETATM 1701 CBA HEM A 282 -9.752 -4.437 -4.887 1.00 1.00 C HETATM 1702 CGA HEM A 282 -10.901 -4.169 -5.848 1.00 1.00 C HETATM 1703 O1A HEM A 282 -11.316 -2.993 -5.924 1.00 1.00 O HETATM 1704 O2A HEM A 282 -11.342 -5.147 -6.491 1.00 1.00 O HETATM 1705 C1B HEM A 282 -3.951 -1.452 -2.150 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.598 -1.368 -1.654 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.476 -0.177 -1.032 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.753 0.490 -1.137 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.555 -2.434 -1.822 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.265 0.389 -0.348 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.036 0.184 -1.119 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.295 2.405 -0.693 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.626 3.651 -0.042 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.903 3.941 -0.366 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.377 2.878 -1.220 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.689 4.442 0.824 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.717 5.129 0.057 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.891 6.385 0.323 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.146 1.759 -2.544 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.446 1.735 -3.171 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.548 0.560 -3.828 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.312 -0.154 -3.615 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.464 2.834 -3.080 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.705 0.052 -4.638 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.447 0.029 -6.142 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.073 1.236 -6.824 1.00 1.00 C HETATM 1727 O1D HEM A 282 -11.378 1.830 -7.677 1.00 1.00 O HETATM 1728 O2D HEM A 282 -13.236 1.543 -6.481 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.726 -1.625 -3.268 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.653 -0.303 -1.827 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.379 1.938 -1.415 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.456 0.592 -2.824 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.584 0.221 -2.259 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -6.082 -5.692 -4.858 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -4.708 -5.095 -3.896 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -4.863 -4.633 -5.608 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.037 -3.411 -1.863 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.865 -2.404 -0.979 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -1.005 -2.262 -2.747 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -3.989 3.766 1.315 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.260 4.984 1.578 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.136 5.152 0.208 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -12.068 2.846 -3.987 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -10.956 3.792 -2.969 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -12.108 2.663 -2.217 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 0.976 0.557 -0.711 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.026 -0.335 -2.077 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.384 7.305 0.636 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.808 6.361 0.200 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -9.881 -3.838 -3.986 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -9.768 -5.483 -4.579 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -7.921 -5.043 -5.822 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -8.583 -3.546 -6.447 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -11.855 -0.887 -6.570 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.373 0.018 -6.330 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.576 0.676 -4.439 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -11.952 -0.957 -4.307 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.809 -1.937 -4.682 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.832 -3.410 -2.958 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.233 2.289 -0.109 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.339 3.639 -1.583 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.311 0.901 0.613 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.801 5.098 0.165 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.797 -8.957 2.823 1.00 1.00 C HETATM 1735 CHB HEM A 305 0.007 -10.812 6.358 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.833 -8.381 4.605 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.938 -6.236 1.285 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.359 -9.676 3.931 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.199 -10.549 4.716 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.428 -11.065 5.697 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.104 -10.516 5.528 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.829 -12.028 6.777 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.655 -10.806 4.453 1.00 1.00 C HETATM 1744 CBA HEM A 305 4.931 -12.108 3.708 1.00 1.00 C HETATM 1745 CGA HEM A 305 5.043 -13.279 4.674 1.00 1.00 C HETATM 1746 O1A HEM A 305 4.065 -14.054 4.743 1.00 1.00 O HETATM 1747 O2A HEM A 305 6.105 -13.377 5.326 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.271 -10.288 6.192 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.375 -10.542 7.088 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.441 -9.870 6.604 1.00 1.00 C HETATM 1751 C4B HEM A 305 -3.008 -9.192 5.405 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.304 -11.402 8.316 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.830 -9.809 7.171 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.967 -8.888 8.380 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.428 -7.681 3.390 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.263 -6.961 2.458 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.441 -6.348 1.580 1.00 1.00 C HETATM 1758 C4C HEM A 305 -2.089 -6.684 1.959 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.763 -6.927 2.498 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.816 -5.477 0.417 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.265 -4.998 0.441 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.328 -6.795 1.430 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.477 -6.417 0.641 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.514 -7.170 1.065 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.017 -8.021 2.120 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.472 -5.375 -0.439 1.00 1.00 C HETATM 1767 CAD HEM A 305 3.929 -7.158 0.565 1.00 1.00 C HETATM 1768 CBD HEM A 305 4.915 -6.472 1.507 1.00 1.00 C HETATM 1769 CGD HEM A 305 4.387 -5.118 1.961 1.00 1.00 C HETATM 1770 O1D HEM A 305 3.800 -5.079 3.063 1.00 1.00 O HETATM 1771 O2D HEM A 305 4.580 -4.149 1.196 1.00 1.00 O HETATM 1772 NA HEM A 305 1.072 -9.663 4.439 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.671 -9.456 5.161 1.00 1.00 N HETATM 1774 NC HEM A 305 -2.092 -7.504 3.073 1.00 1.00 N HETATM 1775 ND HEM A 305 0.672 -7.783 2.336 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.529 -8.608 3.695 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 2.221 -11.853 7.664 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 3.881 -11.881 7.023 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 2.677 -13.050 6.428 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -3.013 -11.035 9.058 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.296 -11.365 8.728 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.552 -12.431 8.055 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.137 -7.860 2.921 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.151 -6.806 1.487 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -6.092 -6.091 3.116 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.486 -5.335 -0.901 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.216 -5.629 -1.193 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.710 -4.403 -0.008 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.934 -8.771 8.869 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -4.098 -8.347 8.755 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.641 -4.359 -0.358 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.924 -5.295 1.257 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 5.854 -12.015 3.136 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 4.131 -12.298 2.993 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 5.188 -10.824 5.404 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 5.061 -9.976 3.875 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 5.873 -6.342 1.004 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 5.094 -7.106 2.375 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 3.957 -6.656 -0.402 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.254 -8.185 0.401 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.806 -9.130 2.479 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.168 -11.493 7.181 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.860 -8.266 4.918 1.00 1.00 H new HETATM 0 HHD HEM A 305 -1.044 -5.401 0.609 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.666 -10.372 6.756 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.116 -5.210 -0.375 1.00 1.00 H new