USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 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 : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -1.95 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 140:sc= -3.23! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -86:sc= 1.35 USER MOD Single : A 40 MET CE :methyl -126:sc= -5.48! (180deg=-12!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 0.249 (180deg=0.179) USER MOD Single : A 44 ASN : amide:sc= -11! C(o=-11!,f=-9.3!) USER MOD Single : A 46 MET CE :methyl -167:sc= 0 (180deg=-0.173) USER MOD Single : A 52 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.1) USER MOD Single : A 64 HIS : no HE2:sc= -7.15! C(o=-7.2!,f=-9.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.825 USER MOD Single : A 78 HIS : no HD1:sc= -7.55! C(o=-7.5!,f=-10!) USER MOD Single : A 79 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.11) USER MOD Single : A 81 SER OG : rot -90:sc= -1.52! USER MOD Single : A 83 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.0079) USER MOD Single : A 85 SER OG : rot -111:sc= -0.759! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -7.821 25.296 -13.531 1.00 0.00 N ATOM 2 CA THR A 3 -6.690 26.207 -13.396 1.00 0.00 C ATOM 3 C THR A 3 -5.367 25.452 -13.443 1.00 0.00 C ATOM 4 O THR A 3 -4.299 26.057 -13.543 1.00 0.00 O ATOM 5 CB THR A 3 -6.765 27.004 -12.080 1.00 0.00 C ATOM 6 OG1 THR A 3 -6.219 26.230 -11.005 1.00 0.00 O ATOM 7 CG2 THR A 3 -8.203 27.382 -11.758 1.00 0.00 C ATOM 0 HA THR A 3 -6.741 26.900 -14.236 1.00 0.00 H new ATOM 0 HB THR A 3 -6.183 27.918 -12.201 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.269 26.745 -10.173 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.231 27.944 -10.825 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.607 27.995 -12.563 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.803 26.478 -11.655 1.00 0.00 H new ATOM 15 N ASP A 4 -5.443 24.126 -13.373 1.00 0.00 N ATOM 16 CA ASP A 4 -4.250 23.289 -13.408 1.00 0.00 C ATOM 17 C ASP A 4 -3.127 23.908 -12.582 1.00 0.00 C ATOM 18 O ASP A 4 -2.125 24.372 -13.127 1.00 0.00 O ATOM 19 CB ASP A 4 -3.785 23.088 -14.852 1.00 0.00 C ATOM 20 CG ASP A 4 -2.569 22.188 -14.947 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.269 21.487 -13.956 1.00 0.00 O ATOM 22 OD2 ASP A 4 -1.915 22.183 -16.011 1.00 0.00 O ATOM 0 H ASP A 4 -6.319 23.609 -13.292 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.503 22.321 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.598 22.658 -15.436 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.552 24.057 -15.294 1.00 0.00 H new ATOM 27 N ILE A 5 -3.302 23.910 -11.265 1.00 0.00 N ATOM 28 CA ILE A 5 -2.304 24.470 -10.362 1.00 0.00 C ATOM 29 C ILE A 5 -1.296 23.403 -9.941 1.00 0.00 C ATOM 30 O ILE A 5 -1.352 22.267 -10.412 1.00 0.00 O ATOM 31 CB ILE A 5 -2.977 25.106 -9.116 1.00 0.00 C ATOM 32 CG1 ILE A 5 -2.311 26.440 -8.779 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.943 24.168 -7.912 1.00 0.00 C ATOM 34 CD1 ILE A 5 -2.183 27.363 -9.971 1.00 0.00 C ATOM 0 H ILE A 5 -4.126 23.530 -10.799 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.770 25.255 -10.897 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.025 25.284 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.888 26.940 -8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.320 26.250 -8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.424 24.651 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.473 23.247 -8.154 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.908 23.936 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.702 28.291 -9.662 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.581 26.881 -10.741 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.174 27.582 -10.369 1.00 0.00 H new ATOM 46 N ASP A 6 -0.378 23.769 -9.054 1.00 0.00 N ATOM 47 CA ASP A 6 0.632 22.830 -8.580 1.00 0.00 C ATOM 48 C ASP A 6 0.168 22.124 -7.314 1.00 0.00 C ATOM 49 O ASP A 6 0.121 22.718 -6.237 1.00 0.00 O ATOM 50 CB ASP A 6 1.956 23.544 -8.317 1.00 0.00 C ATOM 51 CG ASP A 6 3.110 22.573 -8.168 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.869 21.426 -7.735 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.255 22.959 -8.484 1.00 0.00 O ATOM 0 H ASP A 6 -0.312 24.703 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 6 0.782 22.085 -9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.165 24.231 -9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.869 24.145 -7.412 1.00 0.00 H new ATOM 58 N GLU A 7 -0.163 20.847 -7.453 1.00 0.00 N ATOM 59 CA GLU A 7 -0.612 20.046 -6.324 1.00 0.00 C ATOM 60 C GLU A 7 0.574 19.354 -5.670 1.00 0.00 C ATOM 61 O GLU A 7 0.520 18.984 -4.498 1.00 0.00 O ATOM 62 CB GLU A 7 -1.628 18.999 -6.785 1.00 0.00 C ATOM 63 CG GLU A 7 -2.793 19.567 -7.585 1.00 0.00 C ATOM 64 CD GLU A 7 -2.352 20.229 -8.876 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.269 19.872 -9.386 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.089 21.103 -9.377 1.00 0.00 O ATOM 0 H GLU A 7 -0.129 20.343 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.088 20.706 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.114 18.254 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.021 18.481 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.495 18.766 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.328 20.294 -6.973 1.00 0.00 H new ATOM 73 N CYS A 8 1.647 19.188 -6.439 1.00 0.00 N ATOM 74 CA CYS A 8 2.853 18.542 -5.938 1.00 0.00 C ATOM 75 C CYS A 8 3.663 19.514 -5.093 1.00 0.00 C ATOM 76 O CYS A 8 4.340 19.116 -4.144 1.00 0.00 O ATOM 77 CB CYS A 8 3.700 18.020 -7.100 1.00 0.00 C ATOM 78 SG CYS A 8 5.277 17.260 -6.592 1.00 0.00 S ATOM 0 H CYS A 8 1.704 19.492 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 8 2.559 17.698 -5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.119 17.286 -7.658 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.910 18.845 -7.781 1.00 0.00 H new ATOM 83 N ARG A 9 3.580 20.794 -5.439 1.00 0.00 N ATOM 84 CA ARG A 9 4.298 21.827 -4.706 1.00 0.00 C ATOM 85 C ARG A 9 3.785 21.912 -3.276 1.00 0.00 C ATOM 86 O ARG A 9 4.531 22.249 -2.357 1.00 0.00 O ATOM 87 CB ARG A 9 4.142 23.180 -5.402 1.00 0.00 C ATOM 88 CG ARG A 9 4.860 24.316 -4.692 1.00 0.00 C ATOM 89 CD ARG A 9 5.511 25.268 -5.680 1.00 0.00 C ATOM 90 NE ARG A 9 5.668 26.610 -5.126 1.00 0.00 N ATOM 91 CZ ARG A 9 6.541 26.914 -4.170 1.00 0.00 C ATOM 92 NH1 ARG A 9 7.330 25.974 -3.667 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.624 28.157 -3.717 1.00 0.00 N ATOM 0 H ARG A 9 3.024 21.139 -6.221 1.00 0.00 H new ATOM 0 HA ARG A 9 5.356 21.565 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.522 23.101 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.082 23.421 -5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.151 24.864 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.619 23.907 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.487 24.879 -5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.907 25.318 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 9 5.076 27.355 -5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.268 25.017 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.999 26.208 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.018 28.882 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.294 28.389 -2.984 1.00 0.00 H new ATOM 107 N ILE A 10 2.506 21.592 -3.091 1.00 0.00 N ATOM 108 CA ILE A 10 1.899 21.621 -1.770 1.00 0.00 C ATOM 109 C ILE A 10 2.858 21.057 -0.731 1.00 0.00 C ATOM 110 O ILE A 10 2.916 21.534 0.403 1.00 0.00 O ATOM 111 CB ILE A 10 0.587 20.812 -1.744 1.00 0.00 C ATOM 112 CG1 ILE A 10 -0.517 21.573 -2.478 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.170 20.504 -0.312 1.00 0.00 C ATOM 114 CD1 ILE A 10 -1.068 22.743 -1.695 1.00 0.00 C ATOM 0 H ILE A 10 1.874 21.311 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 10 1.676 22.661 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 10 0.754 19.864 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.127 21.935 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.330 20.885 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.758 19.933 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.951 19.922 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.018 21.437 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.847 23.236 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.489 22.386 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.266 23.452 -1.488 1.00 0.00 H new ATOM 126 N SER A 11 3.601 20.032 -1.126 1.00 0.00 N ATOM 127 CA SER A 11 4.552 19.392 -0.233 1.00 0.00 C ATOM 128 C SER A 11 5.525 18.514 -1.011 1.00 0.00 C ATOM 129 O SER A 11 5.218 18.049 -2.109 1.00 0.00 O ATOM 130 CB SER A 11 3.805 18.550 0.799 1.00 0.00 C ATOM 131 OG SER A 11 4.706 17.860 1.648 1.00 0.00 O ATOM 0 H SER A 11 3.562 19.627 -2.061 1.00 0.00 H new ATOM 0 HA SER A 11 5.123 20.169 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.158 19.192 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.160 17.834 0.290 1.00 0.00 H new ATOM 0 HG SER A 11 4.201 17.330 2.300 1.00 0.00 H new ATOM 137 N PRO A 12 6.716 18.270 -0.443 1.00 0.00 N ATOM 138 CA PRO A 12 7.742 17.445 -1.064 1.00 0.00 C ATOM 139 C PRO A 12 7.516 15.967 -0.780 1.00 0.00 C ATOM 140 O PRO A 12 7.996 15.098 -1.509 1.00 0.00 O ATOM 141 CB PRO A 12 9.042 17.919 -0.398 1.00 0.00 C ATOM 142 CG PRO A 12 8.643 18.917 0.650 1.00 0.00 C ATOM 143 CD PRO A 12 7.160 18.771 0.853 1.00 0.00 C ATOM 0 HA PRO A 12 7.749 17.544 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.578 17.081 0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.711 18.371 -1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.180 18.734 1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.891 19.930 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.927 18.076 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.689 19.721 1.105 1.00 0.00 H new ATOM 151 N ASP A 13 6.770 15.694 0.285 1.00 0.00 N ATOM 152 CA ASP A 13 6.462 14.327 0.678 1.00 0.00 C ATOM 153 C ASP A 13 4.969 14.068 0.535 1.00 0.00 C ATOM 154 O ASP A 13 4.399 13.231 1.234 1.00 0.00 O ATOM 155 CB ASP A 13 6.904 14.070 2.119 1.00 0.00 C ATOM 156 CG ASP A 13 7.044 15.351 2.919 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.013 16.100 2.674 1.00 0.00 O ATOM 158 OD2 ASP A 13 6.186 15.604 3.790 1.00 0.00 O ATOM 0 H ASP A 13 6.366 16.406 0.893 1.00 0.00 H new ATOM 0 HA ASP A 13 7.006 13.646 0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.180 13.418 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.857 13.542 2.115 1.00 0.00 H new ATOM 163 N LEU A 14 4.346 14.803 -0.376 1.00 0.00 N ATOM 164 CA LEU A 14 2.915 14.672 -0.624 1.00 0.00 C ATOM 165 C LEU A 14 2.452 13.232 -0.450 1.00 0.00 C ATOM 166 O LEU A 14 1.581 12.940 0.370 1.00 0.00 O ATOM 167 CB LEU A 14 2.583 15.146 -2.037 1.00 0.00 C ATOM 168 CG LEU A 14 1.455 16.172 -2.133 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.824 17.272 -3.114 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.155 15.500 -2.550 1.00 0.00 C ATOM 0 H LEU A 14 4.811 15.499 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 14 2.392 15.292 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.482 15.576 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.315 14.278 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 14 1.309 16.619 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.011 17.996 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.731 17.772 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.995 16.838 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.637 16.247 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.286 15.027 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.117 14.744 -1.813 1.00 0.00 H new ATOM 182 N CYS A 15 3.030 12.340 -1.242 1.00 0.00 N ATOM 183 CA CYS A 15 2.673 10.932 -1.200 1.00 0.00 C ATOM 184 C CYS A 15 3.516 10.168 -0.184 1.00 0.00 C ATOM 185 O CYS A 15 3.730 8.963 -0.316 1.00 0.00 O ATOM 186 CB CYS A 15 2.825 10.329 -2.590 1.00 0.00 C ATOM 187 SG CYS A 15 1.791 11.148 -3.844 1.00 0.00 S ATOM 0 H CYS A 15 3.752 12.570 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 15 1.634 10.849 -0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.870 10.391 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.567 9.271 -2.550 1.00 0.00 H new ATOM 192 N GLY A 16 3.975 10.878 0.838 1.00 0.00 N ATOM 193 CA GLY A 16 4.773 10.265 1.884 1.00 0.00 C ATOM 194 C GLY A 16 5.841 9.319 1.368 1.00 0.00 C ATOM 195 O GLY A 16 6.302 8.447 2.105 1.00 0.00 O ATOM 0 H GLY A 16 3.807 11.876 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.250 11.050 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.113 9.719 2.558 1.00 0.00 H new ATOM 199 N ARG A 17 6.241 9.484 0.112 1.00 0.00 N ATOM 200 CA ARG A 17 7.267 8.628 -0.478 1.00 0.00 C ATOM 201 C ARG A 17 7.303 8.784 -1.992 1.00 0.00 C ATOM 202 O ARG A 17 8.324 9.163 -2.566 1.00 0.00 O ATOM 203 CB ARG A 17 7.010 7.161 -0.116 1.00 0.00 C ATOM 204 CG ARG A 17 7.852 6.179 -0.916 1.00 0.00 C ATOM 205 CD ARG A 17 8.936 5.555 -0.056 1.00 0.00 C ATOM 206 NE ARG A 17 9.185 4.161 -0.413 1.00 0.00 N ATOM 207 CZ ARG A 17 9.880 3.321 0.346 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.391 3.732 1.499 1.00 0.00 N ATOM 209 NH2 ARG A 17 10.064 2.067 -0.046 1.00 0.00 N ATOM 0 H ARG A 17 5.873 10.199 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 17 8.232 8.934 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.210 7.017 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.955 6.936 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.213 5.396 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.307 6.692 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.858 6.127 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.645 5.614 0.993 1.00 0.00 H new ATOM 0 HE ARG A 17 8.804 3.813 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.251 4.695 1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.924 3.085 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.672 1.747 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.598 1.423 0.538 1.00 0.00 H new ATOM 223 N GLY A 18 6.183 8.479 -2.632 1.00 0.00 N ATOM 224 CA GLY A 18 6.102 8.580 -4.075 1.00 0.00 C ATOM 225 C GLY A 18 6.497 9.947 -4.587 1.00 0.00 C ATOM 226 O GLY A 18 7.120 10.732 -3.872 1.00 0.00 O ATOM 0 H GLY A 18 5.327 8.163 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.749 7.827 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.084 8.357 -4.394 1.00 0.00 H new ATOM 230 N GLN A 19 6.137 10.228 -5.831 1.00 0.00 N ATOM 231 CA GLN A 19 6.458 11.504 -6.450 1.00 0.00 C ATOM 232 C GLN A 19 5.202 12.178 -6.994 1.00 0.00 C ATOM 233 O GLN A 19 4.615 11.719 -7.974 1.00 0.00 O ATOM 234 CB GLN A 19 7.471 11.289 -7.571 1.00 0.00 C ATOM 235 CG GLN A 19 8.513 10.233 -7.240 1.00 0.00 C ATOM 236 CD GLN A 19 9.897 10.821 -7.046 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.102 11.695 -6.204 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.857 10.342 -7.829 1.00 0.00 N ATOM 0 H GLN A 19 5.621 9.586 -6.433 1.00 0.00 H new ATOM 0 HA GLN A 19 6.890 12.159 -5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.943 10.997 -8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.974 12.232 -7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.216 9.706 -6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.545 9.495 -8.042 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.642 9.617 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.809 10.699 -7.745 1.00 0.00 H new ATOM 247 N CYS A 20 4.790 13.264 -6.345 1.00 0.00 N ATOM 248 CA CYS A 20 3.597 13.995 -6.759 1.00 0.00 C ATOM 249 C CYS A 20 3.758 14.581 -8.160 1.00 0.00 C ATOM 250 O CYS A 20 4.708 15.313 -8.434 1.00 0.00 O ATOM 251 CB CYS A 20 3.283 15.116 -5.764 1.00 0.00 C ATOM 252 SG CYS A 20 4.751 15.975 -5.109 1.00 0.00 S ATOM 0 H CYS A 20 5.264 13.656 -5.532 1.00 0.00 H new ATOM 0 HA CYS A 20 2.769 13.286 -6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.637 15.847 -6.251 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.720 14.698 -4.930 1.00 0.00 H new ATOM 257 N VAL A 21 2.809 14.263 -9.036 1.00 0.00 N ATOM 258 CA VAL A 21 2.825 14.765 -10.405 1.00 0.00 C ATOM 259 C VAL A 21 1.716 15.793 -10.600 1.00 0.00 C ATOM 260 O VAL A 21 0.801 15.881 -9.789 1.00 0.00 O ATOM 261 CB VAL A 21 2.652 13.627 -11.430 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.272 14.182 -12.797 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.923 12.797 -11.521 1.00 0.00 C ATOM 0 H VAL A 21 2.017 13.658 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 21 3.796 15.231 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 21 1.842 12.981 -11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.155 13.360 -13.504 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.333 14.730 -12.719 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.056 14.854 -13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.784 11.998 -12.249 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.751 13.433 -11.834 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.146 12.365 -10.546 1.00 0.00 H new ATOM 273 N ASN A 22 1.805 16.567 -11.674 1.00 0.00 N ATOM 274 CA ASN A 22 0.807 17.589 -11.961 1.00 0.00 C ATOM 275 C ASN A 22 -0.157 17.141 -13.054 1.00 0.00 C ATOM 276 O ASN A 22 0.215 16.393 -13.959 1.00 0.00 O ATOM 277 CB ASN A 22 1.492 18.889 -12.380 1.00 0.00 C ATOM 278 CG ASN A 22 0.595 20.092 -12.185 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.006 20.603 -13.138 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.485 20.551 -10.946 1.00 0.00 N ATOM 0 H ASN A 22 2.557 16.507 -12.360 1.00 0.00 H new ATOM 0 HA ASN A 22 0.232 17.755 -11.050 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.406 19.020 -11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.786 18.822 -13.427 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.106 21.359 -10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.992 20.096 -10.187 1.00 0.00 H new ATOM 287 N THR A 23 -1.399 17.611 -12.967 1.00 0.00 N ATOM 288 CA THR A 23 -2.421 17.269 -13.950 1.00 0.00 C ATOM 289 C THR A 23 -3.507 18.340 -14.000 1.00 0.00 C ATOM 290 O THR A 23 -3.711 19.076 -13.035 1.00 0.00 O ATOM 291 CB THR A 23 -3.071 15.908 -13.639 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.122 16.072 -12.681 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.038 14.926 -13.103 1.00 0.00 C ATOM 0 H THR A 23 -1.721 18.231 -12.224 1.00 0.00 H new ATOM 0 HA THR A 23 -1.924 17.209 -14.918 1.00 0.00 H new ATOM 0 HB THR A 23 -3.485 15.509 -14.565 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.879 15.499 -12.925 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.519 13.972 -12.890 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.255 14.780 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.599 15.323 -12.188 1.00 0.00 H new ATOM 301 N PRO A 24 -4.222 18.438 -15.129 1.00 0.00 N ATOM 302 CA PRO A 24 -5.295 19.421 -15.305 1.00 0.00 C ATOM 303 C PRO A 24 -6.360 19.300 -14.222 1.00 0.00 C ATOM 304 O PRO A 24 -7.012 18.264 -14.093 1.00 0.00 O ATOM 305 CB PRO A 24 -5.886 19.083 -16.681 1.00 0.00 C ATOM 306 CG PRO A 24 -5.374 17.720 -17.009 1.00 0.00 C ATOM 307 CD PRO A 24 -4.046 17.599 -16.320 1.00 0.00 C ATOM 0 HA PRO A 24 -4.924 20.444 -15.236 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.976 19.097 -16.655 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.576 19.810 -17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.064 16.950 -16.663 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.268 17.592 -18.086 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.819 16.566 -16.057 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.230 17.955 -16.949 1.00 0.00 H new ATOM 315 N GLY A 25 -6.525 20.361 -13.437 1.00 0.00 N ATOM 316 CA GLY A 25 -7.507 20.339 -12.371 1.00 0.00 C ATOM 317 C GLY A 25 -7.386 19.094 -11.519 1.00 0.00 C ATOM 318 O GLY A 25 -8.386 18.456 -11.187 1.00 0.00 O ATOM 0 H GLY A 25 -5.998 21.231 -13.520 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.382 21.222 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.508 20.391 -12.798 1.00 0.00 H new ATOM 322 N ASP A 26 -6.154 18.744 -11.172 1.00 0.00 N ATOM 323 CA ASP A 26 -5.888 17.564 -10.363 1.00 0.00 C ATOM 324 C ASP A 26 -4.404 17.219 -10.396 1.00 0.00 C ATOM 325 O ASP A 26 -3.605 17.930 -11.010 1.00 0.00 O ATOM 326 CB ASP A 26 -6.710 16.379 -10.865 1.00 0.00 C ATOM 327 CG ASP A 26 -7.747 15.923 -9.856 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.449 15.957 -8.644 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.855 15.533 -10.278 1.00 0.00 O ATOM 0 H ASP A 26 -5.319 19.265 -11.441 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.175 17.781 -9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.208 16.654 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.042 15.549 -11.095 1.00 0.00 H new ATOM 334 N PHE A 27 -4.034 16.135 -9.727 1.00 0.00 N ATOM 335 CA PHE A 27 -2.641 15.716 -9.681 1.00 0.00 C ATOM 336 C PHE A 27 -2.514 14.221 -9.416 1.00 0.00 C ATOM 337 O PHE A 27 -3.402 13.604 -8.828 1.00 0.00 O ATOM 338 CB PHE A 27 -1.912 16.504 -8.599 1.00 0.00 C ATOM 339 CG PHE A 27 -2.042 15.912 -7.225 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.160 16.171 -6.449 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.046 15.099 -6.709 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.282 15.631 -5.183 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.162 14.555 -5.444 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.281 14.821 -4.680 1.00 0.00 C ATOM 0 H PHE A 27 -4.676 15.533 -9.211 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.190 15.917 -10.653 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.855 16.567 -8.859 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.298 17.523 -8.583 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.945 16.802 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.169 14.888 -7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.158 15.841 -4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.378 13.923 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.374 14.397 -3.691 1.00 0.00 H new ATOM 354 N GLU A 28 -1.396 13.651 -9.849 1.00 0.00 N ATOM 355 CA GLU A 28 -1.131 12.232 -9.657 1.00 0.00 C ATOM 356 C GLU A 28 0.182 12.043 -8.909 1.00 0.00 C ATOM 357 O GLU A 28 0.728 12.999 -8.359 1.00 0.00 O ATOM 358 CB GLU A 28 -1.082 11.511 -11.008 1.00 0.00 C ATOM 359 CG GLU A 28 -0.133 12.153 -12.006 1.00 0.00 C ATOM 360 CD GLU A 28 -0.709 12.204 -13.408 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.882 11.810 -13.582 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.013 12.637 -14.331 1.00 0.00 O ATOM 0 H GLU A 28 -0.655 14.154 -10.338 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.938 11.801 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.781 10.476 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.085 11.489 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.104 13.165 -11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.803 11.595 -12.022 1.00 0.00 H new ATOM 369 N CYS A 29 0.688 10.816 -8.878 1.00 0.00 N ATOM 370 CA CYS A 29 1.936 10.539 -8.180 1.00 0.00 C ATOM 371 C CYS A 29 2.693 9.371 -8.797 1.00 0.00 C ATOM 372 O CYS A 29 2.272 8.789 -9.796 1.00 0.00 O ATOM 373 CB CYS A 29 1.660 10.231 -6.712 1.00 0.00 C ATOM 374 SG CYS A 29 2.858 10.969 -5.558 1.00 0.00 S ATOM 0 H CYS A 29 0.258 10.005 -9.323 1.00 0.00 H new ATOM 0 HA CYS A 29 2.555 11.431 -8.269 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.661 10.587 -6.459 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.657 9.150 -6.573 1.00 0.00 H new ATOM 379 N LYS A 30 3.814 9.037 -8.168 1.00 0.00 N ATOM 380 CA LYS A 30 4.660 7.939 -8.607 1.00 0.00 C ATOM 381 C LYS A 30 5.210 7.201 -7.392 1.00 0.00 C ATOM 382 O LYS A 30 6.349 7.426 -6.978 1.00 0.00 O ATOM 383 CB LYS A 30 5.807 8.465 -9.468 1.00 0.00 C ATOM 384 CG LYS A 30 6.513 7.389 -10.277 1.00 0.00 C ATOM 385 CD LYS A 30 6.860 6.181 -9.419 1.00 0.00 C ATOM 386 CE LYS A 30 7.645 5.146 -10.207 1.00 0.00 C ATOM 387 NZ LYS A 30 6.752 4.144 -10.853 1.00 0.00 N ATOM 0 H LYS A 30 4.160 9.521 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 30 4.066 7.249 -9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.419 9.222 -10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.535 8.958 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.875 7.077 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.423 7.800 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.443 6.502 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.944 5.731 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.241 5.646 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.342 4.636 -9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.326 3.456 -11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.201 3.648 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.104 4.627 -11.507 1.00 0.00 H new ATOM 401 N CYS A 31 4.385 6.337 -6.811 1.00 0.00 N ATOM 402 CA CYS A 31 4.774 5.580 -5.627 1.00 0.00 C ATOM 403 C CYS A 31 5.991 4.702 -5.892 1.00 0.00 C ATOM 404 O CYS A 31 6.548 4.700 -6.990 1.00 0.00 O ATOM 405 CB CYS A 31 3.607 4.719 -5.137 1.00 0.00 C ATOM 406 SG CYS A 31 2.358 5.617 -4.155 1.00 0.00 S ATOM 0 H CYS A 31 3.440 6.143 -7.142 1.00 0.00 H new ATOM 0 HA CYS A 31 5.042 6.300 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.117 4.270 -6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.004 3.901 -4.535 1.00 0.00 H new ATOM 411 N ASP A 32 6.400 3.965 -4.864 1.00 0.00 N ATOM 412 CA ASP A 32 7.556 3.082 -4.957 1.00 0.00 C ATOM 413 C ASP A 32 7.151 1.678 -5.402 1.00 0.00 C ATOM 414 O ASP A 32 6.159 1.502 -6.110 1.00 0.00 O ATOM 415 CB ASP A 32 8.270 3.019 -3.605 1.00 0.00 C ATOM 416 CG ASP A 32 9.772 2.862 -3.748 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.373 3.615 -4.542 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.344 1.986 -3.067 1.00 0.00 O ATOM 0 H ASP A 32 5.944 3.963 -3.952 1.00 0.00 H new ATOM 0 HA ASP A 32 8.233 3.488 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.055 3.927 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.874 2.184 -3.027 1.00 0.00 H new ATOM 423 N GLU A 33 7.933 0.685 -4.987 1.00 0.00 N ATOM 424 CA GLU A 33 7.674 -0.706 -5.343 1.00 0.00 C ATOM 425 C GLU A 33 6.179 -0.989 -5.466 1.00 0.00 C ATOM 426 O GLU A 33 5.656 -1.131 -6.572 1.00 0.00 O ATOM 427 CB GLU A 33 8.299 -1.642 -4.306 1.00 0.00 C ATOM 428 CG GLU A 33 9.710 -1.244 -3.903 1.00 0.00 C ATOM 429 CD GLU A 33 10.670 -2.418 -3.907 1.00 0.00 C ATOM 430 OE1 GLU A 33 11.176 -2.768 -4.994 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.917 -2.985 -2.821 1.00 0.00 O ATOM 0 H GLU A 33 8.756 0.820 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 33 8.129 -0.887 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.668 -1.661 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.316 -2.656 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.076 -0.477 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.688 -0.800 -2.908 1.00 0.00 H new ATOM 438 N GLY A 34 5.499 -1.081 -4.330 1.00 0.00 N ATOM 439 CA GLY A 34 4.076 -1.360 -4.343 1.00 0.00 C ATOM 440 C GLY A 34 3.291 -0.482 -3.392 1.00 0.00 C ATOM 441 O GLY A 34 2.376 -0.951 -2.724 1.00 0.00 O ATOM 0 H GLY A 34 5.906 -0.968 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.694 -1.222 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.914 -2.405 -4.081 1.00 0.00 H new ATOM 445 N TYR A 35 3.646 0.796 -3.338 1.00 0.00 N ATOM 446 CA TYR A 35 2.963 1.744 -2.469 1.00 0.00 C ATOM 447 C TYR A 35 1.770 2.362 -3.188 1.00 0.00 C ATOM 448 O TYR A 35 1.880 2.786 -4.338 1.00 0.00 O ATOM 449 CB TYR A 35 3.926 2.845 -2.020 1.00 0.00 C ATOM 450 CG TYR A 35 4.933 2.399 -0.983 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.397 1.091 -0.950 1.00 0.00 C ATOM 452 CD2 TYR A 35 5.422 3.293 -0.037 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.319 0.683 -0.005 1.00 0.00 C ATOM 454 CE2 TYR A 35 6.344 2.894 0.911 1.00 0.00 C ATOM 455 CZ TYR A 35 6.789 1.589 0.923 1.00 0.00 C ATOM 456 OH TYR A 35 7.707 1.187 1.866 1.00 0.00 O ATOM 0 H TYR A 35 4.405 1.200 -3.887 1.00 0.00 H new ATOM 0 HA TYR A 35 2.605 1.207 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.461 3.223 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.348 3.676 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.031 0.380 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.075 4.316 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.669 -0.339 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.714 3.601 1.639 1.00 0.00 H new ATOM 0 HH TYR A 35 7.936 1.945 2.443 1.00 0.00 H new ATOM 466 N GLU A 36 0.632 2.417 -2.506 1.00 0.00 N ATOM 467 CA GLU A 36 -0.575 2.990 -3.088 1.00 0.00 C ATOM 468 C GLU A 36 -0.642 4.487 -2.801 1.00 0.00 C ATOM 469 O GLU A 36 -0.626 4.906 -1.646 1.00 0.00 O ATOM 470 CB GLU A 36 -1.821 2.274 -2.546 1.00 0.00 C ATOM 471 CG GLU A 36 -2.574 3.049 -1.474 1.00 0.00 C ATOM 472 CD GLU A 36 -3.922 2.437 -1.149 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.857 2.595 -1.963 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.045 1.800 -0.082 1.00 0.00 O ATOM 0 H GLU A 36 0.520 2.073 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.544 2.850 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.499 2.072 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.522 1.309 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.970 3.089 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.717 4.077 -1.807 1.00 0.00 H new ATOM 481 N SER A 37 -0.711 5.284 -3.860 1.00 0.00 N ATOM 482 CA SER A 37 -0.770 6.731 -3.726 1.00 0.00 C ATOM 483 C SER A 37 -2.211 7.216 -3.619 1.00 0.00 C ATOM 484 O SER A 37 -2.900 7.374 -4.627 1.00 0.00 O ATOM 485 CB SER A 37 -0.082 7.402 -4.915 1.00 0.00 C ATOM 486 OG SER A 37 0.243 6.456 -5.918 1.00 0.00 O ATOM 0 H SER A 37 -0.727 4.950 -4.824 1.00 0.00 H new ATOM 0 HA SER A 37 -0.248 7.004 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.735 8.168 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.824 7.905 -4.578 1.00 0.00 H new ATOM 0 HG SER A 37 1.110 6.047 -5.714 1.00 0.00 H new ATOM 492 N GLY A 38 -2.658 7.456 -2.392 1.00 0.00 N ATOM 493 CA GLY A 38 -4.012 7.927 -2.177 1.00 0.00 C ATOM 494 C GLY A 38 -4.896 6.890 -1.518 1.00 0.00 C ATOM 495 O GLY A 38 -5.733 6.269 -2.174 1.00 0.00 O ATOM 0 H GLY A 38 -2.107 7.333 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.986 8.823 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.448 8.214 -3.134 1.00 0.00 H new ATOM 499 N PHE A 39 -4.715 6.707 -0.217 1.00 0.00 N ATOM 500 CA PHE A 39 -5.506 5.743 0.536 1.00 0.00 C ATOM 501 C PHE A 39 -6.432 6.456 1.515 1.00 0.00 C ATOM 502 O PHE A 39 -7.633 6.577 1.275 1.00 0.00 O ATOM 503 CB PHE A 39 -4.593 4.776 1.292 1.00 0.00 C ATOM 504 CG PHE A 39 -5.322 3.911 2.279 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.973 2.761 1.864 1.00 0.00 C ATOM 506 CD2 PHE A 39 -5.357 4.248 3.623 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.646 1.962 2.769 1.00 0.00 C ATOM 508 CE2 PHE A 39 -6.027 3.454 4.533 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.672 2.309 4.106 1.00 0.00 C ATOM 0 H PHE A 39 -4.027 7.214 0.339 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.113 5.176 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.078 4.139 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.828 5.347 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.954 2.485 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.855 5.142 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.150 1.069 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.047 3.728 5.578 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.196 1.686 4.816 1.00 0.00 H new ATOM 519 N MET A 40 -5.861 6.927 2.616 1.00 0.00 N ATOM 520 CA MET A 40 -6.627 7.627 3.633 1.00 0.00 C ATOM 521 C MET A 40 -6.059 9.021 3.890 1.00 0.00 C ATOM 522 O MET A 40 -6.698 9.851 4.535 1.00 0.00 O ATOM 523 CB MET A 40 -6.644 6.824 4.932 1.00 0.00 C ATOM 524 CG MET A 40 -5.375 6.974 5.754 1.00 0.00 C ATOM 525 SD MET A 40 -5.694 7.594 7.417 1.00 0.00 S ATOM 526 CE MET A 40 -5.460 9.353 7.174 1.00 0.00 C ATOM 0 H MET A 40 -4.867 6.835 2.826 1.00 0.00 H new ATOM 0 HA MET A 40 -7.648 7.736 3.266 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.496 7.139 5.534 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.792 5.770 4.696 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.873 6.009 5.820 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.693 7.653 5.242 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.730 9.726 7.893 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.099 9.536 6.162 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.409 9.870 7.319 1.00 0.00 H new ATOM 536 N MET A 41 -4.857 9.272 3.381 1.00 0.00 N ATOM 537 CA MET A 41 -4.210 10.565 3.558 1.00 0.00 C ATOM 538 C MET A 41 -4.560 11.504 2.410 1.00 0.00 C ATOM 539 O MET A 41 -4.478 12.721 2.558 1.00 0.00 O ATOM 540 CB MET A 41 -2.693 10.395 3.642 1.00 0.00 C ATOM 541 CG MET A 41 -2.262 9.072 4.255 1.00 0.00 C ATOM 542 SD MET A 41 -2.690 8.944 6.003 1.00 0.00 S ATOM 543 CE MET A 41 -1.222 9.635 6.761 1.00 0.00 C ATOM 0 H MET A 41 -4.313 8.597 2.843 1.00 0.00 H new ATOM 0 HA MET A 41 -4.572 11.000 4.490 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.271 10.477 2.640 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.276 11.212 4.231 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.731 8.253 3.709 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.184 8.956 4.139 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.333 9.625 7.845 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.353 9.040 6.480 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.085 10.661 6.420 1.00 0.00 H new ATOM 553 N MET A 42 -4.950 10.904 1.278 1.00 0.00 N ATOM 554 CA MET A 42 -5.334 11.628 0.057 1.00 0.00 C ATOM 555 C MET A 42 -4.483 11.186 -1.128 1.00 0.00 C ATOM 556 O MET A 42 -4.997 10.977 -2.227 1.00 0.00 O ATOM 557 CB MET A 42 -5.228 13.148 0.219 1.00 0.00 C ATOM 558 CG MET A 42 -6.305 13.741 1.113 1.00 0.00 C ATOM 559 SD MET A 42 -7.702 14.392 0.178 1.00 0.00 S ATOM 560 CE MET A 42 -8.956 14.470 1.455 1.00 0.00 C ATOM 0 H MET A 42 -5.009 9.890 1.182 1.00 0.00 H new ATOM 0 HA MET A 42 -6.379 11.381 -0.130 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.249 13.394 0.631 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.286 13.615 -0.764 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.660 12.976 1.804 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.872 14.539 1.716 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.883 14.855 1.031 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.128 13.472 1.858 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.621 15.131 2.254 1.00 0.00 H new ATOM 570 N LYS A 43 -3.182 11.046 -0.903 1.00 0.00 N ATOM 571 CA LYS A 43 -2.269 10.632 -1.965 1.00 0.00 C ATOM 572 C LYS A 43 -0.979 10.044 -1.399 1.00 0.00 C ATOM 573 O LYS A 43 0.036 9.982 -2.091 1.00 0.00 O ATOM 574 CB LYS A 43 -1.944 11.818 -2.875 1.00 0.00 C ATOM 575 CG LYS A 43 -2.223 11.550 -4.345 1.00 0.00 C ATOM 576 CD LYS A 43 -1.538 10.282 -4.820 1.00 0.00 C ATOM 577 CE LYS A 43 -1.610 10.142 -6.332 1.00 0.00 C ATOM 578 NZ LYS A 43 -2.924 9.605 -6.779 1.00 0.00 N ATOM 0 H LYS A 43 -2.736 11.212 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.767 9.855 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.527 12.682 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.893 12.080 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.298 11.465 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.880 12.395 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.495 10.291 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.006 9.417 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.439 11.114 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.813 9.482 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.861 9.318 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.178 8.781 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.653 10.340 -6.676 1.00 0.00 H new ATOM 592 N ASN A 44 -1.020 9.608 -0.144 1.00 0.00 N ATOM 593 CA ASN A 44 0.151 9.022 0.492 1.00 0.00 C ATOM 594 C ASN A 44 0.505 7.694 -0.163 1.00 0.00 C ATOM 595 O ASN A 44 -0.367 6.987 -0.662 1.00 0.00 O ATOM 596 CB ASN A 44 -0.090 8.824 1.991 1.00 0.00 C ATOM 597 CG ASN A 44 -0.891 7.573 2.301 1.00 0.00 C ATOM 598 OD1 ASN A 44 -0.785 7.009 3.390 1.00 0.00 O ATOM 599 ND2 ASN A 44 -1.700 7.130 1.345 1.00 0.00 N ATOM 0 H ASN A 44 -1.849 9.650 0.449 1.00 0.00 H new ATOM 0 HA ASN A 44 0.987 9.709 0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.870 8.771 2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.615 9.693 2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.262 6.293 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.759 7.627 0.456 1.00 0.00 H new ATOM 606 N CYS A 45 1.789 7.359 -0.159 1.00 0.00 N ATOM 607 CA CYS A 45 2.247 6.111 -0.752 1.00 0.00 C ATOM 608 C CYS A 45 2.370 5.034 0.313 1.00 0.00 C ATOM 609 O CYS A 45 3.324 5.016 1.091 1.00 0.00 O ATOM 610 CB CYS A 45 3.583 6.316 -1.461 1.00 0.00 C ATOM 611 SG CYS A 45 3.423 7.014 -3.134 1.00 0.00 S ATOM 0 H CYS A 45 2.529 7.932 0.247 1.00 0.00 H new ATOM 0 HA CYS A 45 1.512 5.787 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.206 6.977 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.102 5.359 -1.524 1.00 0.00 H new ATOM 616 N MET A 46 1.387 4.145 0.351 1.00 0.00 N ATOM 617 CA MET A 46 1.367 3.069 1.331 1.00 0.00 C ATOM 618 C MET A 46 1.175 1.716 0.656 1.00 0.00 C ATOM 619 O MET A 46 0.143 1.470 0.031 1.00 0.00 O ATOM 620 CB MET A 46 0.251 3.316 2.347 1.00 0.00 C ATOM 621 CG MET A 46 -1.128 3.432 1.718 1.00 0.00 C ATOM 622 SD MET A 46 -2.442 3.539 2.947 1.00 0.00 S ATOM 623 CE MET A 46 -2.514 1.842 3.515 1.00 0.00 C ATOM 0 H MET A 46 0.591 4.148 -0.287 1.00 0.00 H new ATOM 0 HA MET A 46 2.327 3.054 1.846 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.244 2.502 3.072 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.468 4.231 2.898 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.159 4.315 1.080 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.305 2.569 1.076 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.421 1.693 4.101 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.522 1.171 2.656 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.643 1.628 4.134 1.00 0.00 H new ATOM 633 N ASP A 47 2.186 0.852 0.785 1.00 0.00 N ATOM 634 CA ASP A 47 2.164 -0.485 0.193 1.00 0.00 C ATOM 635 C ASP A 47 0.743 -0.954 -0.102 1.00 0.00 C ATOM 636 O ASP A 47 0.005 -1.361 0.795 1.00 0.00 O ATOM 637 CB ASP A 47 2.865 -1.485 1.114 1.00 0.00 C ATOM 638 CG ASP A 47 2.012 -1.880 2.303 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.564 -0.976 3.040 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.789 -3.094 2.498 1.00 0.00 O ATOM 0 H ASP A 47 3.040 1.061 1.302 1.00 0.00 H new ATOM 0 HA ASP A 47 2.698 -0.430 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.124 -2.378 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.800 -1.052 1.470 1.00 0.00 H new ATOM 645 N ILE A 48 0.377 -0.891 -1.375 1.00 0.00 N ATOM 646 CA ILE A 48 -0.945 -1.302 -1.827 1.00 0.00 C ATOM 647 C ILE A 48 -1.345 -2.646 -1.230 1.00 0.00 C ATOM 648 O ILE A 48 -0.607 -3.233 -0.438 1.00 0.00 O ATOM 649 CB ILE A 48 -0.975 -1.420 -3.359 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.338 -2.025 -3.856 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.217 -0.058 -3.995 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.154 -3.097 -4.907 1.00 0.00 C ATOM 0 H ILE A 48 0.986 -0.555 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.650 -0.540 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.796 -2.076 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.962 -1.230 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.877 -2.448 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.235 -0.161 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.173 0.339 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.417 0.625 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.128 -3.479 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.443 -3.911 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.356 -2.674 -5.772 1.00 0.00 H new ATOM 664 N ASP A 49 -2.516 -3.131 -1.626 1.00 0.00 N ATOM 665 CA ASP A 49 -3.017 -4.409 -1.141 1.00 0.00 C ATOM 666 C ASP A 49 -2.704 -5.522 -2.133 1.00 0.00 C ATOM 667 O ASP A 49 -3.596 -6.026 -2.815 1.00 0.00 O ATOM 668 CB ASP A 49 -4.526 -4.338 -0.906 1.00 0.00 C ATOM 669 CG ASP A 49 -5.082 -5.628 -0.335 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.381 -6.660 -0.411 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.216 -5.606 0.188 1.00 0.00 O ATOM 0 H ASP A 49 -3.136 -2.657 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.520 -4.629 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.747 -3.517 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.028 -4.114 -1.847 1.00 0.00 H new ATOM 676 N GLU A 50 -1.433 -5.905 -2.211 1.00 0.00 N ATOM 677 CA GLU A 50 -1.012 -6.960 -3.117 1.00 0.00 C ATOM 678 C GLU A 50 -1.883 -8.197 -2.942 1.00 0.00 C ATOM 679 O GLU A 50 -1.987 -9.030 -3.841 1.00 0.00 O ATOM 680 CB GLU A 50 0.451 -7.313 -2.861 1.00 0.00 C ATOM 681 CG GLU A 50 1.431 -6.286 -3.403 1.00 0.00 C ATOM 682 CD GLU A 50 1.782 -5.222 -2.381 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.921 -4.360 -2.102 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.917 -5.250 -1.860 1.00 0.00 O ATOM 0 H GLU A 50 -0.680 -5.499 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.121 -6.602 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.607 -7.420 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.666 -8.281 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.342 -6.792 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.003 -5.810 -4.285 1.00 0.00 H new ATOM 691 N CYS A 51 -2.511 -8.304 -1.777 1.00 0.00 N ATOM 692 CA CYS A 51 -3.383 -9.434 -1.475 1.00 0.00 C ATOM 693 C CYS A 51 -4.720 -9.290 -2.193 1.00 0.00 C ATOM 694 O CYS A 51 -5.537 -10.211 -2.200 1.00 0.00 O ATOM 695 CB CYS A 51 -3.610 -9.536 0.035 1.00 0.00 C ATOM 696 SG CYS A 51 -4.935 -10.690 0.515 1.00 0.00 S ATOM 0 H CYS A 51 -2.433 -7.620 -1.024 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.897 -10.345 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.681 -9.850 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.848 -8.546 0.423 1.00 0.00 H new ATOM 701 N GLN A 52 -4.936 -8.124 -2.792 1.00 0.00 N ATOM 702 CA GLN A 52 -6.172 -7.843 -3.510 1.00 0.00 C ATOM 703 C GLN A 52 -5.894 -7.548 -4.979 1.00 0.00 C ATOM 704 O GLN A 52 -6.764 -7.711 -5.834 1.00 0.00 O ATOM 705 CB GLN A 52 -6.881 -6.654 -2.865 1.00 0.00 C ATOM 706 CG GLN A 52 -7.904 -7.059 -1.821 1.00 0.00 C ATOM 707 CD GLN A 52 -8.937 -5.979 -1.565 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.227 -5.642 -0.416 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.498 -5.430 -2.636 1.00 0.00 N ATOM 0 H GLN A 52 -4.266 -7.355 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.812 -8.723 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.138 -6.004 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.376 -6.070 -3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.408 -7.969 -2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.392 -7.295 -0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.227 -5.740 -3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.200 -4.698 -2.526 1.00 0.00 H new ATOM 718 N ARG A 53 -4.675 -7.106 -5.259 1.00 0.00 N ATOM 719 CA ARG A 53 -4.266 -6.774 -6.619 1.00 0.00 C ATOM 720 C ARG A 53 -4.528 -7.932 -7.579 1.00 0.00 C ATOM 721 O ARG A 53 -4.663 -7.729 -8.785 1.00 0.00 O ATOM 722 CB ARG A 53 -2.783 -6.401 -6.646 1.00 0.00 C ATOM 723 CG ARG A 53 -2.208 -6.296 -8.049 1.00 0.00 C ATOM 724 CD ARG A 53 -1.307 -7.477 -8.370 1.00 0.00 C ATOM 725 NE ARG A 53 -1.248 -7.746 -9.803 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.656 -8.814 -10.328 1.00 0.00 C ATOM 727 NH1 ARG A 53 -0.076 -9.708 -9.538 1.00 0.00 N ATOM 728 NH2 ARG A 53 -0.644 -8.990 -11.642 1.00 0.00 N ATOM 0 H ARG A 53 -3.947 -6.968 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.861 -5.922 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.647 -5.448 -6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.219 -7.147 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.021 -6.249 -8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.642 -5.369 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.302 -7.278 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.671 -8.363 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.685 -7.077 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.084 -9.576 -8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.378 -10.527 -9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.090 -8.305 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.189 -9.810 -12.043 1.00 0.00 H new ATOM 742 N ASP A 54 -4.594 -9.147 -7.042 1.00 0.00 N ATOM 743 CA ASP A 54 -4.835 -10.328 -7.861 1.00 0.00 C ATOM 744 C ASP A 54 -6.039 -11.114 -7.353 1.00 0.00 C ATOM 745 O ASP A 54 -6.231 -11.272 -6.148 1.00 0.00 O ATOM 746 CB ASP A 54 -3.596 -11.225 -7.877 1.00 0.00 C ATOM 747 CG ASP A 54 -2.803 -11.091 -9.163 1.00 0.00 C ATOM 748 OD1 ASP A 54 -3.008 -10.094 -9.885 1.00 0.00 O ATOM 749 OD2 ASP A 54 -1.978 -11.985 -9.447 1.00 0.00 O ATOM 0 H ASP A 54 -4.484 -9.338 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.048 -9.994 -8.876 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.957 -10.972 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.901 -12.264 -7.748 1.00 0.00 H new ATOM 754 N PRO A 55 -6.866 -11.618 -8.280 1.00 0.00 N ATOM 755 CA PRO A 55 -8.060 -12.393 -7.946 1.00 0.00 C ATOM 756 C PRO A 55 -7.729 -13.836 -7.580 1.00 0.00 C ATOM 757 O PRO A 55 -8.585 -14.580 -7.102 1.00 0.00 O ATOM 758 CB PRO A 55 -8.873 -12.341 -9.237 1.00 0.00 C ATOM 759 CG PRO A 55 -7.850 -12.235 -10.317 1.00 0.00 C ATOM 760 CD PRO A 55 -6.694 -11.465 -9.734 1.00 0.00 C ATOM 0 HA PRO A 55 -8.582 -11.995 -7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.486 -13.234 -9.357 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.550 -11.487 -9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.531 -13.223 -10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.257 -11.723 -11.189 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.737 -11.867 -10.068 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.721 -10.417 -10.032 1.00 0.00 H new ATOM 768 N LEU A 56 -6.477 -14.220 -7.802 1.00 0.00 N ATOM 769 CA LEU A 56 -6.021 -15.567 -7.494 1.00 0.00 C ATOM 770 C LEU A 56 -4.901 -15.525 -6.461 1.00 0.00 C ATOM 771 O LEU A 56 -4.453 -16.561 -5.970 1.00 0.00 O ATOM 772 CB LEU A 56 -5.540 -16.270 -8.761 1.00 0.00 C ATOM 773 CG LEU A 56 -6.572 -17.182 -9.423 1.00 0.00 C ATOM 774 CD1 LEU A 56 -7.318 -17.996 -8.377 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.545 -16.365 -10.260 1.00 0.00 C ATOM 0 H LEU A 56 -5.758 -13.613 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.859 -16.128 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.229 -15.514 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.657 -16.861 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.047 -17.873 -10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.048 -18.639 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.610 -18.610 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.831 -17.323 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.273 -17.030 -10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.063 -15.650 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.997 -15.829 -11.035 1.00 0.00 H new ATOM 787 N LEU A 57 -4.450 -14.316 -6.134 1.00 0.00 N ATOM 788 CA LEU A 57 -3.386 -14.140 -5.159 1.00 0.00 C ATOM 789 C LEU A 57 -3.683 -14.930 -3.896 1.00 0.00 C ATOM 790 O LEU A 57 -4.630 -14.626 -3.170 1.00 0.00 O ATOM 791 CB LEU A 57 -3.208 -12.662 -4.828 1.00 0.00 C ATOM 792 CG LEU A 57 -1.774 -12.248 -4.502 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.368 -11.033 -5.320 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.628 -11.971 -3.014 1.00 0.00 C ATOM 0 H LEU A 57 -4.807 -13.447 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.458 -14.515 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.559 -12.070 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.845 -12.415 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.108 -13.070 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.344 -10.754 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.434 -11.271 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.035 -10.202 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.601 -11.677 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.304 -11.166 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.874 -12.871 -2.450 1.00 0.00 H new ATOM 806 N CYS A 58 -2.879 -15.954 -3.644 1.00 0.00 N ATOM 807 CA CYS A 58 -3.073 -16.791 -2.473 1.00 0.00 C ATOM 808 C CYS A 58 -4.508 -17.292 -2.428 1.00 0.00 C ATOM 809 O CYS A 58 -5.018 -17.670 -1.373 1.00 0.00 O ATOM 810 CB CYS A 58 -2.735 -16.010 -1.203 1.00 0.00 C ATOM 811 SG CYS A 58 -1.091 -15.229 -1.246 1.00 0.00 S ATOM 0 H CYS A 58 -2.091 -16.222 -4.233 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.405 -17.650 -2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.490 -15.240 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.786 -16.683 -0.347 1.00 0.00 H new ATOM 816 N ARG A 59 -5.152 -17.297 -3.592 1.00 0.00 N ATOM 817 CA ARG A 59 -6.530 -17.754 -3.707 1.00 0.00 C ATOM 818 C ARG A 59 -6.769 -18.961 -2.808 1.00 0.00 C ATOM 819 O ARG A 59 -7.823 -19.092 -2.187 1.00 0.00 O ATOM 820 CB ARG A 59 -6.845 -18.107 -5.161 1.00 0.00 C ATOM 821 CG ARG A 59 -8.329 -18.118 -5.481 1.00 0.00 C ATOM 822 CD ARG A 59 -8.754 -19.431 -6.117 1.00 0.00 C ATOM 823 NE ARG A 59 -10.013 -19.925 -5.565 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.399 -21.195 -5.632 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.626 -22.095 -6.225 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.558 -21.566 -5.107 1.00 0.00 N ATOM 0 H ARG A 59 -4.738 -16.988 -4.471 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.192 -16.949 -3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.347 -17.391 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.427 -19.088 -5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.900 -17.954 -4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.563 -17.294 -6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.859 -19.295 -7.193 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.974 -20.177 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.630 -19.258 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.734 -21.813 -6.631 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.924 -23.069 -6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.155 -20.876 -4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.853 -22.541 -5.159 1.00 0.00 H new ATOM 840 N GLY A 60 -5.772 -19.835 -2.738 1.00 0.00 N ATOM 841 CA GLY A 60 -5.873 -21.019 -1.908 1.00 0.00 C ATOM 842 C GLY A 60 -4.727 -21.114 -0.921 1.00 0.00 C ATOM 843 O GLY A 60 -4.382 -22.201 -0.458 1.00 0.00 O ATOM 0 H GLY A 60 -4.891 -19.743 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.819 -21.004 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.882 -21.907 -2.541 1.00 0.00 H new ATOM 847 N GLY A 61 -4.136 -19.966 -0.605 1.00 0.00 N ATOM 848 CA GLY A 61 -3.025 -19.931 0.324 1.00 0.00 C ATOM 849 C GLY A 61 -3.139 -18.796 1.324 1.00 0.00 C ATOM 850 O GLY A 61 -4.183 -18.615 1.951 1.00 0.00 O ATOM 0 H GLY A 61 -4.409 -19.057 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.974 -20.879 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.093 -19.828 -0.233 1.00 0.00 H new ATOM 854 N VAL A 62 -2.060 -18.035 1.481 1.00 0.00 N ATOM 855 CA VAL A 62 -2.039 -16.918 2.416 1.00 0.00 C ATOM 856 C VAL A 62 -1.346 -15.708 1.805 1.00 0.00 C ATOM 857 O VAL A 62 -0.229 -15.811 1.299 1.00 0.00 O ATOM 858 CB VAL A 62 -1.318 -17.295 3.723 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.127 -16.068 4.600 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.087 -18.377 4.466 1.00 0.00 C ATOM 0 H VAL A 62 -1.188 -18.173 0.971 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.077 -16.670 2.638 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.334 -17.690 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.616 -16.354 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.529 -15.329 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.099 -15.640 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.561 -18.630 5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.086 -18.013 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.165 -19.264 3.838 1.00 0.00 H new ATOM 870 N CYS A 63 -2.014 -14.563 1.855 1.00 0.00 N ATOM 871 CA CYS A 63 -1.456 -13.336 1.307 1.00 0.00 C ATOM 872 C CYS A 63 -0.825 -12.488 2.403 1.00 0.00 C ATOM 873 O CYS A 63 -1.505 -11.712 3.074 1.00 0.00 O ATOM 874 CB CYS A 63 -2.535 -12.538 0.577 1.00 0.00 C ATOM 875 SG CYS A 63 -3.972 -12.102 1.610 1.00 0.00 S ATOM 0 H CYS A 63 -2.941 -14.459 2.269 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.678 -13.608 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.092 -11.622 0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.880 -13.116 -0.280 1.00 0.00 H new ATOM 880 N HIS A 64 0.483 -12.643 2.577 1.00 0.00 N ATOM 881 CA HIS A 64 1.213 -11.890 3.588 1.00 0.00 C ATOM 882 C HIS A 64 1.698 -10.563 3.017 1.00 0.00 C ATOM 883 O HIS A 64 2.897 -10.293 2.968 1.00 0.00 O ATOM 884 CB HIS A 64 2.403 -12.701 4.103 1.00 0.00 C ATOM 885 CG HIS A 64 2.034 -14.072 4.577 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.319 -15.218 3.864 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.403 -14.481 5.705 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.879 -16.271 4.531 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.320 -15.850 5.650 1.00 0.00 N ATOM 0 H HIS A 64 1.059 -13.284 2.031 1.00 0.00 H new ATOM 0 HA HIS A 64 0.537 -11.690 4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.144 -12.788 3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.875 -12.158 4.921 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.795 -15.248 2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.034 -13.848 6.499 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.963 -17.300 4.214 1.00 0.00 H new ATOM 898 N ASN A 65 0.749 -9.740 2.583 1.00 0.00 N ATOM 899 CA ASN A 65 1.061 -8.436 2.010 1.00 0.00 C ATOM 900 C ASN A 65 2.085 -7.693 2.862 1.00 0.00 C ATOM 901 O ASN A 65 1.798 -7.297 3.992 1.00 0.00 O ATOM 902 CB ASN A 65 -0.214 -7.601 1.877 1.00 0.00 C ATOM 903 CG ASN A 65 0.073 -6.159 1.504 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.958 -5.521 2.073 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.682 -5.637 0.543 1.00 0.00 N ATOM 0 H ASN A 65 -0.248 -9.955 2.618 1.00 0.00 H new ATOM 0 HA ASN A 65 1.491 -8.595 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.859 -8.047 1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.762 -7.627 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.539 -4.671 0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.405 -6.203 0.098 1.00 0.00 H new ATOM 912 N THR A 66 3.278 -7.505 2.309 1.00 0.00 N ATOM 913 CA THR A 66 4.346 -6.807 3.014 1.00 0.00 C ATOM 914 C THR A 66 4.608 -5.440 2.392 1.00 0.00 C ATOM 915 O THR A 66 3.774 -4.910 1.658 1.00 0.00 O ATOM 916 CB THR A 66 5.652 -7.623 3.003 1.00 0.00 C ATOM 917 OG1 THR A 66 6.478 -7.213 1.906 1.00 0.00 O ATOM 918 CG2 THR A 66 5.360 -9.112 2.895 1.00 0.00 C ATOM 0 H THR A 66 3.530 -7.826 1.374 1.00 0.00 H new ATOM 0 HA THR A 66 4.016 -6.678 4.045 1.00 0.00 H new ATOM 0 HB THR A 66 6.176 -7.439 3.941 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.307 -7.736 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.298 -9.667 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.757 -9.427 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.815 -9.310 1.972 1.00 0.00 H new ATOM 926 N GLU A 67 5.773 -4.874 2.691 1.00 0.00 N ATOM 927 CA GLU A 67 6.146 -3.568 2.161 1.00 0.00 C ATOM 928 C GLU A 67 6.786 -3.700 0.782 1.00 0.00 C ATOM 929 O GLU A 67 7.739 -4.457 0.599 1.00 0.00 O ATOM 930 CB GLU A 67 7.109 -2.863 3.117 1.00 0.00 C ATOM 931 CG GLU A 67 6.459 -1.754 3.928 1.00 0.00 C ATOM 932 CD GLU A 67 6.960 -1.708 5.359 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.184 -1.547 5.554 1.00 0.00 O ATOM 934 OE2 GLU A 67 6.130 -1.833 6.282 1.00 0.00 O ATOM 0 H GLU A 67 6.474 -5.299 3.297 1.00 0.00 H new ATOM 0 HA GLU A 67 5.239 -2.972 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.534 -3.599 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.936 -2.445 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.654 -0.795 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.378 -1.896 3.930 1.00 0.00 H new ATOM 941 N GLY A 68 6.256 -2.958 -0.184 1.00 0.00 N ATOM 942 CA GLY A 68 6.787 -3.006 -1.534 1.00 0.00 C ATOM 943 C GLY A 68 6.782 -4.407 -2.113 1.00 0.00 C ATOM 944 O GLY A 68 7.629 -4.748 -2.938 1.00 0.00 O ATOM 0 H GLY A 68 5.468 -2.324 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.199 -2.350 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.807 -2.621 -1.533 1.00 0.00 H new ATOM 948 N SER A 69 5.825 -5.221 -1.679 1.00 0.00 N ATOM 949 CA SER A 69 5.712 -6.594 -2.158 1.00 0.00 C ATOM 950 C SER A 69 4.731 -7.388 -1.303 1.00 0.00 C ATOM 951 O SER A 69 4.054 -6.832 -0.438 1.00 0.00 O ATOM 952 CB SER A 69 7.081 -7.274 -2.150 1.00 0.00 C ATOM 953 OG SER A 69 7.395 -7.807 -3.424 1.00 0.00 O ATOM 0 H SER A 69 5.116 -4.953 -0.996 1.00 0.00 H new ATOM 0 HA SER A 69 5.335 -6.566 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.845 -6.555 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.090 -8.071 -1.407 1.00 0.00 H new ATOM 0 HG SER A 69 8.276 -8.235 -3.392 1.00 0.00 H new ATOM 959 N TYR A 70 4.659 -8.692 -1.551 1.00 0.00 N ATOM 960 CA TYR A 70 3.760 -9.560 -0.800 1.00 0.00 C ATOM 961 C TYR A 70 4.236 -11.007 -0.844 1.00 0.00 C ATOM 962 O TYR A 70 4.831 -11.447 -1.828 1.00 0.00 O ATOM 963 CB TYR A 70 2.337 -9.452 -1.349 1.00 0.00 C ATOM 964 CG TYR A 70 2.081 -10.309 -2.568 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.330 -9.823 -3.844 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.586 -11.601 -2.443 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.093 -10.600 -4.962 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.348 -12.384 -3.555 1.00 0.00 C ATOM 969 CZ TYR A 70 1.602 -11.879 -4.812 1.00 0.00 C ATOM 970 OH TYR A 70 1.366 -12.656 -5.924 1.00 0.00 O ATOM 0 H TYR A 70 5.211 -9.169 -2.264 1.00 0.00 H new ATOM 0 HA TYR A 70 3.762 -9.233 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.634 -9.734 -0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.134 -8.411 -1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.715 -8.821 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.384 -12.000 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.292 -10.207 -5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.965 -13.387 -3.440 1.00 0.00 H new ATOM 0 HH TYR A 70 1.022 -13.530 -5.645 1.00 0.00 H new ATOM 980 N ARG A 71 3.980 -11.740 0.235 1.00 0.00 N ATOM 981 CA ARG A 71 4.391 -13.136 0.324 1.00 0.00 C ATOM 982 C ARG A 71 3.189 -14.073 0.263 1.00 0.00 C ATOM 983 O ARG A 71 2.330 -14.057 1.143 1.00 0.00 O ATOM 984 CB ARG A 71 5.171 -13.377 1.617 1.00 0.00 C ATOM 985 CG ARG A 71 5.767 -12.112 2.213 1.00 0.00 C ATOM 986 CD ARG A 71 6.936 -11.604 1.384 1.00 0.00 C ATOM 987 NE ARG A 71 7.997 -11.047 2.218 1.00 0.00 N ATOM 988 CZ ARG A 71 8.894 -11.788 2.860 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.856 -13.109 2.765 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.830 -11.207 3.599 1.00 0.00 N ATOM 0 H ARG A 71 3.490 -11.391 1.059 1.00 0.00 H new ATOM 0 HA ARG A 71 5.033 -13.349 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.509 -13.837 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.973 -14.089 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.000 -11.340 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.101 -12.310 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.337 -12.421 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.583 -10.842 0.689 1.00 0.00 H new ATOM 0 HE ARG A 71 8.053 -10.033 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.137 -13.559 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.546 -13.676 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.862 -10.190 3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.518 -11.777 4.091 1.00 0.00 H new ATOM 1004 N CYS A 72 3.142 -14.893 -0.782 1.00 0.00 N ATOM 1005 CA CYS A 72 2.054 -15.847 -0.962 1.00 0.00 C ATOM 1006 C CYS A 72 2.477 -17.230 -0.477 1.00 0.00 C ATOM 1007 O CYS A 72 3.588 -17.683 -0.758 1.00 0.00 O ATOM 1008 CB CYS A 72 1.640 -15.893 -2.433 1.00 0.00 C ATOM 1009 SG CYS A 72 -0.126 -16.247 -2.713 1.00 0.00 S ATOM 0 H CYS A 72 3.847 -14.916 -1.519 1.00 0.00 H new ATOM 0 HA CYS A 72 1.198 -15.526 -0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.883 -14.936 -2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.234 -16.653 -2.941 1.00 0.00 H new ATOM 1014 N GLU A 73 1.598 -17.888 0.273 1.00 0.00 N ATOM 1015 CA GLU A 73 1.899 -19.208 0.819 1.00 0.00 C ATOM 1016 C GLU A 73 0.635 -20.048 0.982 1.00 0.00 C ATOM 1017 O GLU A 73 -0.319 -19.625 1.626 1.00 0.00 O ATOM 1018 CB GLU A 73 2.582 -19.043 2.175 1.00 0.00 C ATOM 1019 CG GLU A 73 3.743 -19.998 2.400 1.00 0.00 C ATOM 1020 CD GLU A 73 4.329 -19.884 3.794 1.00 0.00 C ATOM 1021 OE1 GLU A 73 3.931 -18.958 4.531 1.00 0.00 O ATOM 1022 OE2 GLU A 73 5.187 -20.721 4.148 1.00 0.00 O ATOM 0 H GLU A 73 0.674 -17.530 0.516 1.00 0.00 H new ATOM 0 HA GLU A 73 2.558 -19.726 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.944 -18.019 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.844 -19.192 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.405 -21.021 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.522 -19.797 1.665 1.00 0.00 H new ATOM 1029 N CYS A 74 0.644 -21.248 0.407 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.501 -22.146 0.500 1.00 0.00 C ATOM 1031 C CYS A 74 -0.980 -22.295 1.947 1.00 0.00 C ATOM 1032 O CYS A 74 -2.182 -22.245 2.213 1.00 0.00 O ATOM 1033 CB CYS A 74 -0.170 -23.514 -0.098 1.00 0.00 C ATOM 1034 SG CYS A 74 -1.109 -23.912 -1.610 1.00 0.00 S ATOM 0 H CYS A 74 1.430 -21.619 -0.127 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.313 -21.703 -0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.896 -23.552 -0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.364 -24.282 0.650 1.00 0.00 H new ATOM 1039 N PRO A 75 -0.053 -22.504 2.907 1.00 0.00 N ATOM 1040 CA PRO A 75 1.395 -22.574 2.643 1.00 0.00 C ATOM 1041 C PRO A 75 1.829 -23.899 1.995 1.00 0.00 C ATOM 1042 O PRO A 75 2.407 -23.907 0.910 1.00 0.00 O ATOM 1043 CB PRO A 75 2.040 -22.415 4.035 1.00 0.00 C ATOM 1044 CG PRO A 75 0.908 -22.140 4.978 1.00 0.00 C ATOM 1045 CD PRO A 75 -0.348 -22.641 4.332 1.00 0.00 C ATOM 0 HA PRO A 75 1.699 -21.807 1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.578 -23.318 4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.762 -21.598 4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.074 -22.640 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.833 -21.073 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.559 -23.675 4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.217 -22.051 4.624 1.00 0.00 H new ATOM 1053 N PRO A 76 1.601 -25.052 2.669 1.00 0.00 N ATOM 1054 CA PRO A 76 2.005 -26.364 2.159 1.00 0.00 C ATOM 1055 C PRO A 76 0.990 -26.972 1.198 1.00 0.00 C ATOM 1056 O PRO A 76 0.210 -26.263 0.566 1.00 0.00 O ATOM 1057 CB PRO A 76 2.110 -27.235 3.419 1.00 0.00 C ATOM 1058 CG PRO A 76 1.634 -26.394 4.562 1.00 0.00 C ATOM 1059 CD PRO A 76 0.967 -25.177 3.983 1.00 0.00 C ATOM 0 HA PRO A 76 2.931 -26.290 1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.502 -28.134 3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.138 -27.561 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.936 -26.954 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.470 -26.106 5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.112 -25.308 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.134 -24.293 4.598 1.00 0.00 H new ATOM 1067 N GLY A 77 1.011 -28.299 1.094 1.00 0.00 N ATOM 1068 CA GLY A 77 0.094 -28.985 0.209 1.00 0.00 C ATOM 1069 C GLY A 77 0.043 -28.342 -1.157 1.00 0.00 C ATOM 1070 O GLY A 77 -1.019 -28.259 -1.774 1.00 0.00 O ATOM 0 H GLY A 77 1.648 -28.908 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.397 -30.027 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.904 -28.984 0.648 1.00 0.00 H new ATOM 1074 N HIS A 78 1.195 -27.879 -1.629 1.00 0.00 N ATOM 1075 CA HIS A 78 1.277 -27.231 -2.927 1.00 0.00 C ATOM 1076 C HIS A 78 2.543 -26.394 -3.047 1.00 0.00 C ATOM 1077 O HIS A 78 3.466 -26.514 -2.242 1.00 0.00 O ATOM 1078 CB HIS A 78 0.054 -26.339 -3.145 1.00 0.00 C ATOM 1079 CG HIS A 78 -0.873 -26.844 -4.206 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -1.304 -26.064 -5.258 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -1.449 -28.058 -4.379 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -2.104 -26.775 -6.031 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -2.208 -27.987 -5.522 1.00 0.00 N ATOM 0 H HIS A 78 2.083 -27.942 -1.131 1.00 0.00 H new ATOM 0 HA HIS A 78 1.305 -28.010 -3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -0.494 -26.252 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.388 -25.337 -3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.333 -28.920 -3.739 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.591 -26.423 -6.929 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.762 -28.749 -5.914 1.00 0.00 H new ATOM 1092 N GLN A 79 2.562 -25.532 -4.055 1.00 0.00 N ATOM 1093 CA GLN A 79 3.689 -24.644 -4.298 1.00 0.00 C ATOM 1094 C GLN A 79 3.166 -23.274 -4.695 1.00 0.00 C ATOM 1095 O GLN A 79 3.121 -22.930 -5.876 1.00 0.00 O ATOM 1096 CB GLN A 79 4.590 -25.206 -5.399 1.00 0.00 C ATOM 1097 CG GLN A 79 6.030 -24.726 -5.312 1.00 0.00 C ATOM 1098 CD GLN A 79 6.280 -23.484 -6.145 1.00 0.00 C ATOM 1099 OE1 GLN A 79 6.877 -22.515 -5.674 1.00 0.00 O ATOM 1100 NE2 GLN A 79 5.823 -23.506 -7.392 1.00 0.00 N ATOM 0 H GLN A 79 1.799 -25.429 -4.724 1.00 0.00 H new ATOM 0 HA GLN A 79 4.282 -24.559 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.575 -26.295 -5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.181 -24.926 -6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.278 -24.517 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.696 -25.522 -5.644 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.334 -24.330 -7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.961 -22.699 -8.000 1.00 0.00 H new ATOM 1109 N LEU A 80 2.735 -22.507 -3.702 1.00 0.00 N ATOM 1110 CA LEU A 80 2.178 -21.189 -3.952 1.00 0.00 C ATOM 1111 C LEU A 80 3.153 -20.298 -4.702 1.00 0.00 C ATOM 1112 O LEU A 80 4.152 -19.834 -4.153 1.00 0.00 O ATOM 1113 CB LEU A 80 1.731 -20.531 -2.644 1.00 0.00 C ATOM 1114 CG LEU A 80 1.029 -19.176 -2.790 1.00 0.00 C ATOM 1115 CD1 LEU A 80 0.566 -18.949 -4.224 1.00 0.00 C ATOM 1116 CD2 LEU A 80 -0.147 -19.089 -1.830 1.00 0.00 C ATOM 0 H LEU A 80 2.761 -22.776 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 80 1.302 -21.319 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.058 -21.214 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.606 -20.400 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 80 1.745 -18.392 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.072 -17.980 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.427 -18.969 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.133 -19.735 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.638 -18.122 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.858 -19.885 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.210 -19.197 -0.806 1.00 0.00 H new ATOM 1128 N SER A 81 2.838 -20.066 -5.970 1.00 0.00 N ATOM 1129 CA SER A 81 3.656 -19.234 -6.835 1.00 0.00 C ATOM 1130 C SER A 81 3.933 -17.880 -6.186 1.00 0.00 C ATOM 1131 O SER A 81 3.008 -17.166 -5.797 1.00 0.00 O ATOM 1132 CB SER A 81 2.947 -19.043 -8.172 1.00 0.00 C ATOM 1133 OG SER A 81 1.644 -18.516 -7.983 1.00 0.00 O ATOM 0 H SER A 81 2.009 -20.450 -6.425 1.00 0.00 H new ATOM 0 HA SER A 81 4.613 -19.730 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.528 -18.370 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.885 -19.997 -8.695 1.00 0.00 H new ATOM 0 HG SER A 81 1.005 -19.252 -7.880 1.00 0.00 H new ATOM 1139 N PRO A 82 5.216 -17.518 -6.053 1.00 0.00 N ATOM 1140 CA PRO A 82 5.624 -16.252 -5.437 1.00 0.00 C ATOM 1141 C PRO A 82 5.430 -15.046 -6.354 1.00 0.00 C ATOM 1142 O PRO A 82 6.127 -14.895 -7.355 1.00 0.00 O ATOM 1143 CB PRO A 82 7.110 -16.471 -5.155 1.00 0.00 C ATOM 1144 CG PRO A 82 7.553 -17.431 -6.203 1.00 0.00 C ATOM 1145 CD PRO A 82 6.372 -18.325 -6.480 1.00 0.00 C ATOM 0 HA PRO A 82 5.026 -16.023 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.667 -15.536 -5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.269 -16.875 -4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.864 -16.906 -7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.410 -18.012 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.308 -18.589 -7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.437 -19.259 -5.921 1.00 0.00 H new ATOM 1153 N ASN A 83 4.485 -14.183 -5.986 1.00 0.00 N ATOM 1154 CA ASN A 83 4.193 -12.969 -6.748 1.00 0.00 C ATOM 1155 C ASN A 83 3.451 -13.265 -8.049 1.00 0.00 C ATOM 1156 O ASN A 83 3.332 -12.395 -8.912 1.00 0.00 O ATOM 1157 CB ASN A 83 5.482 -12.197 -7.040 1.00 0.00 C ATOM 1158 CG ASN A 83 6.174 -11.731 -5.773 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.395 -11.821 -5.650 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.392 -11.229 -4.822 1.00 0.00 N ATOM 0 H ASN A 83 3.903 -14.303 -5.157 1.00 0.00 H new ATOM 0 HA ASN A 83 3.536 -12.355 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.161 -12.831 -7.610 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.252 -11.334 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.800 -10.899 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.384 -11.174 -4.967 1.00 0.00 H new ATOM 1167 N ILE A 84 2.933 -14.481 -8.181 1.00 0.00 N ATOM 1168 CA ILE A 84 2.181 -14.856 -9.375 1.00 0.00 C ATOM 1169 C ILE A 84 0.687 -14.806 -9.087 1.00 0.00 C ATOM 1170 O ILE A 84 -0.088 -14.258 -9.870 1.00 0.00 O ATOM 1171 CB ILE A 84 2.557 -16.260 -9.874 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.030 -16.305 -10.284 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.664 -16.668 -11.036 1.00 0.00 C ATOM 1174 CD1 ILE A 84 4.982 -16.376 -9.109 1.00 0.00 C ATOM 0 H ILE A 84 3.018 -15.219 -7.483 1.00 0.00 H new ATOM 0 HA ILE A 84 2.435 -14.141 -10.157 1.00 0.00 H new ATOM 0 HB ILE A 84 2.406 -16.969 -9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.194 -17.170 -10.927 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.261 -15.419 -10.876 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.944 -17.665 -11.377 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.624 -16.675 -10.711 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.784 -15.958 -11.854 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.009 -16.405 -9.474 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.846 -15.498 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.777 -17.276 -8.529 1.00 0.00 H new ATOM 1186 N SER A 85 0.304 -15.357 -7.936 1.00 0.00 N ATOM 1187 CA SER A 85 -1.090 -15.362 -7.494 1.00 0.00 C ATOM 1188 C SER A 85 -1.852 -16.613 -7.933 1.00 0.00 C ATOM 1189 O SER A 85 -2.625 -16.568 -8.888 1.00 0.00 O ATOM 1190 CB SER A 85 -1.811 -14.108 -8.002 1.00 0.00 C ATOM 1191 OG SER A 85 -2.337 -14.307 -9.303 1.00 0.00 O ATOM 0 H SER A 85 0.947 -15.810 -7.287 1.00 0.00 H new ATOM 0 HA SER A 85 -1.072 -15.366 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.618 -13.848 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.118 -13.267 -8.013 1.00 0.00 H new ATOM 0 HG SER A 85 -1.838 -13.759 -9.945 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.652 -17.719 -7.207 1.00 0.00 N ATOM 1198 CA ALA A 86 -2.348 -18.973 -7.505 1.00 0.00 C ATOM 1199 C ALA A 86 -1.560 -20.192 -7.024 1.00 0.00 C ATOM 1200 O ALA A 86 -0.601 -20.611 -7.671 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.619 -19.094 -8.999 1.00 0.00 C ATOM 0 H ALA A 86 -1.016 -17.770 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.295 -18.949 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.137 -20.032 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.240 -18.260 -9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.674 -19.077 -9.543 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.970 -20.765 -5.891 1.00 0.00 N ATOM 1208 CA CYS A 87 -1.294 -21.940 -5.348 1.00 0.00 C ATOM 1209 C CYS A 87 -1.130 -23.015 -6.416 1.00 0.00 C ATOM 1210 O CYS A 87 -2.085 -23.371 -7.105 1.00 0.00 O ATOM 1211 CB CYS A 87 -2.062 -22.505 -4.150 1.00 0.00 C ATOM 1212 SG CYS A 87 -1.306 -22.114 -2.537 1.00 0.00 S ATOM 0 H CYS A 87 -2.761 -20.436 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.305 -21.629 -5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.080 -22.116 -4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.133 -23.588 -4.254 1.00 0.00 H new ATOM 1217 N ILE A 88 0.090 -23.531 -6.548 1.00 0.00 N ATOM 1218 CA ILE A 88 0.378 -24.566 -7.533 1.00 0.00 C ATOM 1219 C ILE A 88 1.052 -25.771 -6.885 1.00 0.00 C ATOM 1220 O ILE A 88 2.219 -25.637 -6.461 1.00 0.00 O ATOM 1221 CB ILE A 88 1.282 -24.033 -8.661 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.114 -22.520 -8.807 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.964 -24.737 -9.971 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.007 -21.913 -9.867 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.407 -26.838 -6.806 1.00 0.00 O ATOM 0 H ILE A 88 0.893 -23.249 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.578 -24.872 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 88 2.321 -24.240 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.074 -22.300 -9.049 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.326 -22.045 -7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.611 -24.350 -10.758 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.131 -25.808 -9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.078 -24.558 -10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.835 -20.838 -9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.051 -22.102 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.780 -22.361 -10.834 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -2.106 20.298 -11.649 1.00 0.00 CA HETATM 1239 CA CA A 102 1.748 -4.160 0.195 1.00 0.00 CA