USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 Set 1.1: A 42 HIS : no HD1:sc= 0.29 K(o=0.29,f=-7.8!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0 K(o=0.29,f=-1.4!) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0.176 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0.0994 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0885) USER MOD Set 3.2: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -160:sc= 0.416 (180deg=-0.0319) USER MOD Single : A 4 THR OG1 : rot 50:sc=0.000331 USER MOD Single : A 12 GLN : amide:sc= 2.95 K(o=3,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= 0.353 (180deg=0.146) USER MOD Single : A 17 THR OG1 : rot -29:sc= 0.732 USER MOD Single : A 22 SER OG : rot 180:sc= 0.751 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 32 THR OG1 : rot -170:sc= 0 USER MOD Single : A 45 SER OG : rot -88:sc= 1.76 USER MOD Single : A 46 HIS : no HD1:sc= -0.632 K(o=-0.63,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.699 (180deg=0.322) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 53 GLN : amide:sc= 1.16 K(o=1.2,f=-2.2) USER MOD Single : A 57 HIS : no HD1:sc= 0.424 K(o=0.42,f=-2.6!) USER MOD Single : A 58 THR OG1 : rot 22:sc= 0.183 USER MOD Single : A 64 ASN : amide:sc= 1.1 K(o=1.1,f=-1.5!) USER MOD Single : A 69 GLN : amide:sc= -0.963 X(o=-0.96,f=-0.83) USER MOD Single : A 70 THR OG1 : rot -52:sc= 1.11 USER MOD Single : A 71 SER OG : rot 180:sc= -0.2 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0.255 (180deg=0.175) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0.262 (180deg=0.202) USER MOD Single : A 79 SER OG : rot 180:sc= 0.111 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.114 3.285 -5.177 1.00 0.00 N ATOM 2 CA ALA A 1 14.279 4.115 -4.929 1.00 0.00 C ATOM 3 C ALA A 1 15.327 3.818 -5.997 1.00 0.00 C ATOM 4 O ALA A 1 15.640 4.679 -6.819 1.00 0.00 O ATOM 5 CB ALA A 1 14.800 3.856 -3.514 1.00 0.00 C ATOM 0 H1 ALA A 1 12.287 3.694 -4.697 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.932 3.239 -6.200 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.287 2.326 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 1 14.025 5.173 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.675 4.479 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.022 4.098 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.075 2.806 -3.414 1.00 0.00 H new ATOM 12 N VAL A 2 15.846 2.587 -6.014 1.00 0.00 N ATOM 13 CA VAL A 2 16.771 2.140 -7.042 1.00 0.00 C ATOM 14 C VAL A 2 15.980 2.230 -8.346 1.00 0.00 C ATOM 15 O VAL A 2 14.970 1.540 -8.491 1.00 0.00 O ATOM 16 CB VAL A 2 17.266 0.715 -6.744 1.00 0.00 C ATOM 17 CG1 VAL A 2 18.279 0.261 -7.803 1.00 0.00 C ATOM 18 CG2 VAL A 2 17.927 0.635 -5.361 1.00 0.00 C ATOM 0 H VAL A 2 15.633 1.878 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 2 17.674 2.748 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 2 16.395 0.060 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.617 -0.750 -7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 2 17.808 0.272 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 2 19.133 0.938 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.267 -0.384 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.779 1.313 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.205 0.919 -4.596 1.00 0.00 H new ATOM 28 N ILE A 3 16.400 3.141 -9.234 1.00 0.00 N ATOM 29 CA ILE A 3 15.715 3.521 -10.468 1.00 0.00 C ATOM 30 C ILE A 3 14.216 3.741 -10.197 1.00 0.00 C ATOM 31 O ILE A 3 13.354 3.401 -11.005 1.00 0.00 O ATOM 32 CB ILE A 3 16.073 2.561 -11.631 1.00 0.00 C ATOM 33 CG1 ILE A 3 15.584 3.029 -13.017 1.00 0.00 C ATOM 34 CG2 ILE A 3 15.603 1.114 -11.420 1.00 0.00 C ATOM 35 CD1 ILE A 3 15.967 4.474 -13.352 1.00 0.00 C ATOM 0 H ILE A 3 17.270 3.656 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 3 16.075 4.487 -10.822 1.00 0.00 H new ATOM 0 HB ILE A 3 17.163 2.586 -11.617 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.996 2.368 -13.780 1.00 0.00 H new ATOM 0 HG13 ILE A 3 14.499 2.931 -13.062 1.00 0.00 H new ATOM 0 HG21 ILE A 3 15.893 0.508 -12.279 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.063 0.710 -10.519 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.518 1.096 -11.313 1.00 0.00 H new ATOM 0 HD11 ILE A 3 15.589 4.731 -14.342 1.00 0.00 H new ATOM 0 HD12 ILE A 3 15.533 5.146 -12.612 1.00 0.00 H new ATOM 0 HD13 ILE A 3 17.052 4.575 -13.341 1.00 0.00 H new ATOM 47 N THR A 4 13.904 4.344 -9.040 1.00 0.00 N ATOM 48 CA THR A 4 12.544 4.596 -8.571 1.00 0.00 C ATOM 49 C THR A 4 11.666 3.341 -8.692 1.00 0.00 C ATOM 50 O THR A 4 10.493 3.431 -9.046 1.00 0.00 O ATOM 51 CB THR A 4 11.951 5.836 -9.270 1.00 0.00 C ATOM 52 OG1 THR A 4 12.159 5.812 -10.669 1.00 0.00 O ATOM 53 CG2 THR A 4 12.603 7.111 -8.727 1.00 0.00 C ATOM 0 H THR A 4 14.616 4.677 -8.390 1.00 0.00 H new ATOM 0 HA THR A 4 12.575 4.827 -7.506 1.00 0.00 H new ATOM 0 HB THR A 4 10.880 5.823 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.875 4.945 -11.027 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.176 7.980 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.421 7.185 -7.655 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.677 7.077 -8.911 1.00 0.00 H new ATOM 61 N GLY A 5 12.249 2.173 -8.398 1.00 0.00 N ATOM 62 CA GLY A 5 11.589 0.883 -8.478 1.00 0.00 C ATOM 63 C GLY A 5 11.730 0.138 -7.157 1.00 0.00 C ATOM 64 O GLY A 5 10.768 0.057 -6.397 1.00 0.00 O ATOM 0 H GLY A 5 13.219 2.107 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.534 1.020 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.024 0.293 -9.285 1.00 0.00 H new ATOM 68 N ALA A 6 12.919 -0.409 -6.880 1.00 0.00 N ATOM 69 CA ALA A 6 13.165 -1.190 -5.669 1.00 0.00 C ATOM 70 C ALA A 6 13.533 -0.266 -4.510 1.00 0.00 C ATOM 71 O ALA A 6 14.367 0.623 -4.671 1.00 0.00 O ATOM 72 CB ALA A 6 14.249 -2.240 -5.921 1.00 0.00 C ATOM 0 H ALA A 6 13.733 -0.322 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 6 12.252 -1.719 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.420 -2.813 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.927 -2.912 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.174 -1.745 -6.217 1.00 0.00 H new ATOM 78 N CYS A 7 12.873 -0.439 -3.364 1.00 0.00 N ATOM 79 CA CYS A 7 13.072 0.351 -2.155 1.00 0.00 C ATOM 80 C CYS A 7 12.974 -0.528 -0.914 1.00 0.00 C ATOM 81 O CYS A 7 12.672 -1.718 -0.995 1.00 0.00 O ATOM 82 CB CYS A 7 12.032 1.469 -2.099 1.00 0.00 C ATOM 83 SG CYS A 7 10.321 0.899 -2.042 1.00 0.00 S ATOM 0 H CYS A 7 12.160 -1.160 -3.251 1.00 0.00 H new ATOM 0 HA CYS A 7 14.070 0.789 -2.180 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.226 2.084 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.159 2.110 -2.971 1.00 0.00 H new ATOM 88 N GLU A 8 13.239 0.078 0.244 1.00 0.00 N ATOM 89 CA GLU A 8 13.117 -0.537 1.551 1.00 0.00 C ATOM 90 C GLU A 8 12.131 0.286 2.391 1.00 0.00 C ATOM 91 O GLU A 8 11.339 -0.296 3.127 1.00 0.00 O ATOM 92 CB GLU A 8 14.494 -0.676 2.217 1.00 0.00 C ATOM 93 CG GLU A 8 15.510 -1.444 1.355 1.00 0.00 C ATOM 94 CD GLU A 8 16.232 -0.540 0.356 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.982 0.343 0.831 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.026 -0.743 -0.860 1.00 0.00 O ATOM 0 H GLU A 8 13.556 1.046 0.291 1.00 0.00 H new ATOM 0 HA GLU A 8 12.723 -1.549 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.888 0.317 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.378 -1.187 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.244 -1.922 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.996 -2.239 0.815 1.00 0.00 H new ATOM 103 N ARG A 9 12.171 1.623 2.302 1.00 0.00 N ATOM 104 CA ARG A 9 11.263 2.523 3.016 1.00 0.00 C ATOM 105 C ARG A 9 10.729 3.582 2.053 1.00 0.00 C ATOM 106 O ARG A 9 11.479 4.098 1.224 1.00 0.00 O ATOM 107 CB ARG A 9 11.932 3.243 4.195 1.00 0.00 C ATOM 108 CG ARG A 9 12.522 2.337 5.284 1.00 0.00 C ATOM 109 CD ARG A 9 13.967 1.916 5.004 1.00 0.00 C ATOM 110 NE ARG A 9 14.865 3.076 4.915 1.00 0.00 N ATOM 111 CZ ARG A 9 16.122 3.033 4.453 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.669 1.868 4.088 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.828 4.164 4.357 1.00 0.00 N ATOM 0 H ARG A 9 12.849 2.115 1.720 1.00 0.00 H new ATOM 0 HA ARG A 9 10.461 1.901 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.729 3.876 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.198 3.903 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.481 2.857 6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.903 1.445 5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.311 1.249 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.007 1.352 4.072 1.00 0.00 H new ATOM 0 HE ARG A 9 14.506 3.978 5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.129 1.006 4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.626 1.842 3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.409 5.052 4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.785 4.139 4.006 1.00 0.00 H new ATOM 127 N ASP A 10 9.449 3.931 2.216 1.00 0.00 N ATOM 128 CA ASP A 10 8.672 4.876 1.410 1.00 0.00 C ATOM 129 C ASP A 10 9.490 6.103 1.007 1.00 0.00 C ATOM 130 O ASP A 10 9.583 6.468 -0.167 1.00 0.00 O ATOM 131 CB ASP A 10 7.445 5.343 2.209 1.00 0.00 C ATOM 132 CG ASP A 10 6.559 4.212 2.691 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.669 3.089 2.161 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.788 4.425 3.647 1.00 0.00 O ATOM 0 H ASP A 10 8.889 3.531 2.969 1.00 0.00 H new ATOM 0 HA ASP A 10 8.371 4.356 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.783 5.919 3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.853 6.015 1.588 1.00 0.00 H new ATOM 139 N LEU A 11 10.081 6.736 2.023 1.00 0.00 N ATOM 140 CA LEU A 11 10.881 7.946 1.918 1.00 0.00 C ATOM 141 C LEU A 11 11.959 7.838 0.836 1.00 0.00 C ATOM 142 O LEU A 11 12.253 8.827 0.169 1.00 0.00 O ATOM 143 CB LEU A 11 11.491 8.244 3.296 1.00 0.00 C ATOM 144 CG LEU A 11 12.327 9.534 3.359 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.495 10.778 3.024 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.907 9.681 4.770 1.00 0.00 C ATOM 0 H LEU A 11 10.008 6.399 2.983 1.00 0.00 H new ATOM 0 HA LEU A 11 10.239 8.772 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.687 8.311 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.120 7.404 3.590 1.00 0.00 H new ATOM 0 HG LEU A 11 13.121 9.457 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.127 11.664 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.091 10.685 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.675 10.870 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.502 10.593 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.094 9.733 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.538 8.822 4.995 1.00 0.00 H new ATOM 158 N GLN A 12 12.552 6.654 0.654 1.00 0.00 N ATOM 159 CA GLN A 12 13.590 6.464 -0.346 1.00 0.00 C ATOM 160 C GLN A 12 13.044 6.631 -1.766 1.00 0.00 C ATOM 161 O GLN A 12 13.814 6.949 -2.669 1.00 0.00 O ATOM 162 CB GLN A 12 14.214 5.074 -0.225 1.00 0.00 C ATOM 163 CG GLN A 12 14.829 4.751 1.137 1.00 0.00 C ATOM 164 CD GLN A 12 15.332 3.316 1.097 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.529 2.390 1.059 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.642 3.103 1.040 1.00 0.00 N ATOM 0 H GLN A 12 12.326 5.816 1.190 1.00 0.00 H new ATOM 0 HA GLN A 12 14.346 7.228 -0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.449 4.330 -0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.986 4.973 -0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.648 5.436 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.089 4.874 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.289 3.891 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.001 2.151 0.963 1.00 0.00 H new ATOM 175 N CYS A 13 11.743 6.388 -1.975 1.00 0.00 N ATOM 176 CA CYS A 13 11.132 6.482 -3.295 1.00 0.00 C ATOM 177 C CYS A 13 10.423 7.821 -3.458 1.00 0.00 C ATOM 178 O CYS A 13 10.612 8.489 -4.472 1.00 0.00 O ATOM 179 CB CYS A 13 10.182 5.315 -3.556 1.00 0.00 C ATOM 180 SG CYS A 13 9.804 5.189 -5.320 1.00 0.00 S ATOM 0 H CYS A 13 11.093 6.123 -1.235 1.00 0.00 H new ATOM 0 HA CYS A 13 11.925 6.423 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.633 4.386 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.261 5.454 -2.990 1.00 0.00 H new ATOM 185 N GLY A 14 9.629 8.232 -2.462 1.00 0.00 N ATOM 186 CA GLY A 14 8.973 9.531 -2.494 1.00 0.00 C ATOM 187 C GLY A 14 7.640 9.537 -1.752 1.00 0.00 C ATOM 188 O GLY A 14 6.771 8.709 -2.031 1.00 0.00 O ATOM 0 H GLY A 14 9.430 7.680 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.633 10.278 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.808 9.825 -3.531 1.00 0.00 H new ATOM 192 N LYS A 15 7.476 10.494 -0.829 1.00 0.00 N ATOM 193 CA LYS A 15 6.252 10.721 -0.075 1.00 0.00 C ATOM 194 C LYS A 15 5.136 11.032 -1.076 1.00 0.00 C ATOM 195 O LYS A 15 5.045 12.137 -1.604 1.00 0.00 O ATOM 196 CB LYS A 15 6.482 11.860 0.933 1.00 0.00 C ATOM 197 CG LYS A 15 5.219 12.314 1.683 1.00 0.00 C ATOM 198 CD LYS A 15 4.519 11.167 2.421 1.00 0.00 C ATOM 199 CE LYS A 15 3.334 11.704 3.232 1.00 0.00 C ATOM 200 NZ LYS A 15 2.560 10.614 3.855 1.00 0.00 N ATOM 0 H LYS A 15 8.219 11.148 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 15 5.960 9.843 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.226 11.538 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.903 12.716 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.487 13.090 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.523 12.762 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.171 10.423 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.225 10.666 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.699 12.379 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.682 12.287 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.627 10.972 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.437 9.841 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.069 10.260 4.690 1.00 0.00 H new ATOM 214 N GLY A 16 4.306 10.027 -1.336 1.00 0.00 N ATOM 215 CA GLY A 16 3.245 10.038 -2.335 1.00 0.00 C ATOM 216 C GLY A 16 3.078 8.597 -2.804 1.00 0.00 C ATOM 217 O GLY A 16 1.973 8.108 -3.029 1.00 0.00 O ATOM 0 H GLY A 16 4.358 9.142 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.316 10.418 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.504 10.690 -3.169 1.00 0.00 H new ATOM 221 N THR A 17 4.204 7.896 -2.919 1.00 0.00 N ATOM 222 CA THR A 17 4.207 6.469 -3.146 1.00 0.00 C ATOM 223 C THR A 17 4.448 5.836 -1.773 1.00 0.00 C ATOM 224 O THR A 17 4.609 6.535 -0.770 1.00 0.00 O ATOM 225 CB THR A 17 5.327 6.094 -4.146 1.00 0.00 C ATOM 226 OG1 THR A 17 6.606 6.441 -3.648 1.00 0.00 O ATOM 227 CG2 THR A 17 5.128 6.797 -5.492 1.00 0.00 C ATOM 0 H THR A 17 5.134 8.309 -2.856 1.00 0.00 H new ATOM 0 HA THR A 17 3.272 6.116 -3.580 1.00 0.00 H new ATOM 0 HB THR A 17 5.270 5.014 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.525 7.212 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.931 6.513 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.169 6.502 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.142 7.877 -5.344 1.00 0.00 H new ATOM 235 N CYS A 18 4.458 4.511 -1.742 1.00 0.00 N ATOM 236 CA CYS A 18 4.697 3.674 -0.591 1.00 0.00 C ATOM 237 C CYS A 18 5.609 2.551 -1.066 1.00 0.00 C ATOM 238 O CYS A 18 5.725 2.323 -2.273 1.00 0.00 O ATOM 239 CB CYS A 18 3.377 3.063 -0.129 1.00 0.00 C ATOM 240 SG CYS A 18 2.770 1.837 -1.307 1.00 0.00 S ATOM 0 H CYS A 18 4.286 3.961 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 18 5.136 4.241 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.512 2.596 0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.633 3.850 -0.006 1.00 0.00 H new ATOM 245 N CYS A 19 6.209 1.828 -0.126 1.00 0.00 N ATOM 246 CA CYS A 19 7.096 0.713 -0.428 1.00 0.00 C ATOM 247 C CYS A 19 6.347 -0.571 -0.131 1.00 0.00 C ATOM 248 O CYS A 19 6.292 -1.005 1.020 1.00 0.00 O ATOM 249 CB CYS A 19 8.415 0.837 0.337 1.00 0.00 C ATOM 250 SG CYS A 19 9.527 2.001 -0.478 1.00 0.00 S ATOM 0 H CYS A 19 6.092 2.001 0.872 1.00 0.00 H new ATOM 0 HA CYS A 19 7.377 0.713 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.219 1.169 1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.893 -0.140 0.406 1.00 0.00 H new ATOM 255 N ALA A 20 5.719 -1.132 -1.164 1.00 0.00 N ATOM 256 CA ALA A 20 4.955 -2.365 -1.092 1.00 0.00 C ATOM 257 C ALA A 20 5.935 -3.525 -1.055 1.00 0.00 C ATOM 258 O ALA A 20 7.001 -3.453 -1.653 1.00 0.00 O ATOM 259 CB ALA A 20 4.050 -2.484 -2.318 1.00 0.00 C ATOM 0 H ALA A 20 5.732 -0.725 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 20 4.330 -2.373 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.479 -3.410 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.365 -1.637 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.660 -2.490 -3.221 1.00 0.00 H new ATOM 265 N VAL A 21 5.597 -4.593 -0.345 1.00 0.00 N ATOM 266 CA VAL A 21 6.460 -5.759 -0.246 1.00 0.00 C ATOM 267 C VAL A 21 6.677 -6.367 -1.636 1.00 0.00 C ATOM 268 O VAL A 21 5.816 -6.245 -2.504 1.00 0.00 O ATOM 269 CB VAL A 21 5.788 -6.753 0.717 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.635 -7.994 0.992 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.553 -6.058 2.057 1.00 0.00 C ATOM 0 H VAL A 21 4.723 -4.674 0.175 1.00 0.00 H new ATOM 0 HA VAL A 21 7.444 -5.492 0.140 1.00 0.00 H new ATOM 0 HB VAL A 21 4.861 -7.072 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.103 -8.653 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.824 -8.520 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.584 -7.695 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.077 -6.753 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.508 -5.732 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.907 -5.193 1.910 1.00 0.00 H new ATOM 281 N SER A 22 7.829 -6.992 -1.888 1.00 0.00 N ATOM 282 CA SER A 22 8.016 -7.702 -3.146 1.00 0.00 C ATOM 283 C SER A 22 7.070 -8.908 -3.190 1.00 0.00 C ATOM 284 O SER A 22 6.643 -9.437 -2.164 1.00 0.00 O ATOM 285 CB SER A 22 9.487 -8.105 -3.314 1.00 0.00 C ATOM 286 OG SER A 22 9.668 -9.226 -4.167 1.00 0.00 O ATOM 0 H SER A 22 8.626 -7.020 -1.252 1.00 0.00 H new ATOM 0 HA SER A 22 7.769 -7.052 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.045 -7.259 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.909 -8.330 -2.335 1.00 0.00 H new ATOM 0 HG SER A 22 10.623 -9.434 -4.236 1.00 0.00 H new ATOM 292 N LEU A 23 6.728 -9.349 -4.398 1.00 0.00 N ATOM 293 CA LEU A 23 5.886 -10.517 -4.603 1.00 0.00 C ATOM 294 C LEU A 23 6.731 -11.793 -4.512 1.00 0.00 C ATOM 295 O LEU A 23 6.171 -12.885 -4.573 1.00 0.00 O ATOM 296 CB LEU A 23 5.217 -10.411 -5.983 1.00 0.00 C ATOM 297 CG LEU A 23 3.995 -9.481 -6.058 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.752 -10.168 -5.490 1.00 0.00 C ATOM 299 CD2 LEU A 23 4.196 -8.137 -5.353 1.00 0.00 C ATOM 0 H LEU A 23 7.030 -8.902 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 23 5.117 -10.561 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.960 -10.064 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.912 -11.409 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 23 3.858 -9.269 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.901 -9.490 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.541 -11.071 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.927 -10.433 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.291 -7.537 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.407 -8.308 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.033 -7.608 -5.810 1.00 0.00 H new ATOM 311 N TRP A 24 8.060 -11.670 -4.372 1.00 0.00 N ATOM 312 CA TRP A 24 8.974 -12.804 -4.387 1.00 0.00 C ATOM 313 C TRP A 24 9.718 -12.976 -3.063 1.00 0.00 C ATOM 314 O TRP A 24 9.751 -14.086 -2.537 1.00 0.00 O ATOM 315 CB TRP A 24 9.883 -12.666 -5.614 1.00 0.00 C ATOM 316 CG TRP A 24 9.079 -12.541 -6.876 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.448 -13.569 -7.486 1.00 0.00 C ATOM 318 CD2 TRP A 24 8.593 -11.332 -7.536 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.590 -13.089 -8.454 1.00 0.00 N ATOM 320 CE2 TRP A 24 7.610 -11.710 -8.498 1.00 0.00 C ATOM 321 CE3 TRP A 24 8.836 -9.949 -7.382 1.00 0.00 C ATOM 322 CZ2 TRP A 24 6.877 -10.767 -9.234 1.00 0.00 C ATOM 323 CZ3 TRP A 24 8.127 -8.995 -8.136 1.00 0.00 C ATOM 324 CH2 TRP A 24 7.135 -9.400 -9.046 1.00 0.00 C ATOM 0 H TRP A 24 8.526 -10.771 -4.245 1.00 0.00 H new ATOM 0 HA TRP A 24 8.417 -13.736 -4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.522 -11.791 -5.499 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.539 -13.533 -5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.594 -14.613 -7.250 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.016 -13.677 -9.058 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.580 -9.617 -6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 6.123 -11.089 -9.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.347 -7.945 -8.015 1.00 0.00 H new ATOM 0 HH2 TRP A 24 6.573 -8.662 -9.599 1.00 0.00 H new ATOM 335 N ILE A 25 10.308 -11.912 -2.505 1.00 0.00 N ATOM 336 CA ILE A 25 11.040 -11.987 -1.256 1.00 0.00 C ATOM 337 C ILE A 25 10.719 -10.785 -0.371 1.00 0.00 C ATOM 338 O ILE A 25 10.997 -9.650 -0.748 1.00 0.00 O ATOM 339 CB ILE A 25 12.550 -12.082 -1.535 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.081 -11.071 -2.572 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.926 -13.523 -1.898 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.585 -11.211 -2.826 1.00 0.00 C ATOM 0 H ILE A 25 10.285 -10.978 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 25 10.732 -12.885 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 25 13.049 -11.798 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.545 -11.207 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.869 -10.059 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.997 -13.581 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.672 -14.185 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.377 -13.829 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.900 -10.473 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.128 -11.047 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.799 -12.212 -3.200 1.00 0.00 H new ATOM 354 N LYS A 26 10.199 -11.031 0.839 1.00 0.00 N ATOM 355 CA LYS A 26 9.903 -9.979 1.808 1.00 0.00 C ATOM 356 C LYS A 26 11.140 -9.127 2.125 1.00 0.00 C ATOM 357 O LYS A 26 11.020 -8.027 2.662 1.00 0.00 O ATOM 358 CB LYS A 26 9.297 -10.583 3.082 1.00 0.00 C ATOM 359 CG LYS A 26 7.919 -11.199 2.805 1.00 0.00 C ATOM 360 CD LYS A 26 7.248 -11.628 4.117 1.00 0.00 C ATOM 361 CE LYS A 26 5.796 -12.069 3.893 1.00 0.00 C ATOM 362 NZ LYS A 26 4.920 -10.933 3.549 1.00 0.00 N ATOM 0 H LYS A 26 9.973 -11.969 1.170 1.00 0.00 H new ATOM 0 HA LYS A 26 9.168 -9.310 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.966 -11.346 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.206 -9.811 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.289 -10.476 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.025 -12.060 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.812 -12.447 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.272 -10.800 4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.761 -12.809 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.422 -12.556 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.927 -11.241 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.061 -10.165 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.154 -10.591 2.595 1.00 0.00 H new ATOM 376 N SER A 27 12.331 -9.638 1.802 1.00 0.00 N ATOM 377 CA SER A 27 13.595 -8.944 1.916 1.00 0.00 C ATOM 378 C SER A 27 13.605 -7.628 1.126 1.00 0.00 C ATOM 379 O SER A 27 14.310 -6.699 1.511 1.00 0.00 O ATOM 380 CB SER A 27 14.662 -9.887 1.351 1.00 0.00 C ATOM 381 OG SER A 27 14.413 -11.205 1.809 1.00 0.00 O ATOM 0 H SER A 27 12.434 -10.586 1.440 1.00 0.00 H new ATOM 0 HA SER A 27 13.780 -8.686 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.648 -9.860 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.654 -9.562 1.665 1.00 0.00 H new ATOM 0 HG SER A 27 15.093 -11.811 1.448 1.00 0.00 H new ATOM 387 N VAL A 28 12.873 -7.566 0.006 1.00 0.00 N ATOM 388 CA VAL A 28 12.840 -6.411 -0.885 1.00 0.00 C ATOM 389 C VAL A 28 11.430 -5.819 -0.921 1.00 0.00 C ATOM 390 O VAL A 28 10.439 -6.538 -0.775 1.00 0.00 O ATOM 391 CB VAL A 28 13.307 -6.846 -2.289 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.249 -5.697 -3.306 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.748 -7.374 -2.240 1.00 0.00 C ATOM 0 H VAL A 28 12.278 -8.333 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 28 13.513 -5.636 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 28 12.623 -7.632 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.588 -6.054 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.224 -5.336 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.894 -4.884 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.059 -7.676 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.411 -6.589 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.798 -8.232 -1.570 1.00 0.00 H new ATOM 403 N ARG A 29 11.342 -4.501 -1.125 1.00 0.00 N ATOM 404 CA ARG A 29 10.092 -3.778 -1.280 1.00 0.00 C ATOM 405 C ARG A 29 10.210 -2.980 -2.585 1.00 0.00 C ATOM 406 O ARG A 29 11.307 -2.823 -3.125 1.00 0.00 O ATOM 407 CB ARG A 29 9.788 -2.932 -0.027 1.00 0.00 C ATOM 408 CG ARG A 29 10.163 -3.690 1.251 1.00 0.00 C ATOM 409 CD ARG A 29 9.587 -3.040 2.519 1.00 0.00 C ATOM 410 NE ARG A 29 8.763 -3.994 3.273 1.00 0.00 N ATOM 411 CZ ARG A 29 9.198 -5.188 3.707 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.498 -5.496 3.672 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.319 -6.084 4.160 1.00 0.00 N ATOM 0 H ARG A 29 12.163 -3.899 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 29 9.231 -4.442 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.342 -1.994 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.729 -2.676 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.803 -4.716 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.249 -3.738 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.401 -2.680 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.987 -2.172 2.246 1.00 0.00 H new ATOM 0 HE ARG A 29 7.799 -3.733 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.173 -4.821 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.816 -6.406 4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.324 -5.860 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.642 -6.993 4.491 1.00 0.00 H new ATOM 427 N VAL A 30 9.093 -2.519 -3.141 1.00 0.00 N ATOM 428 CA VAL A 30 9.042 -1.826 -4.416 1.00 0.00 C ATOM 429 C VAL A 30 8.053 -0.666 -4.322 1.00 0.00 C ATOM 430 O VAL A 30 7.084 -0.733 -3.564 1.00 0.00 O ATOM 431 CB VAL A 30 8.671 -2.813 -5.541 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.811 -3.794 -5.843 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.413 -3.633 -5.216 1.00 0.00 C ATOM 0 H VAL A 30 8.178 -2.622 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 30 10.022 -1.415 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 30 8.478 -2.188 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.507 -4.471 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.696 -3.239 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.042 -4.370 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.197 -4.311 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.580 -4.210 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.568 -2.960 -5.069 1.00 0.00 H new ATOM 443 N CYS A 31 8.307 0.416 -5.061 1.00 0.00 N ATOM 444 CA CYS A 31 7.449 1.587 -5.042 1.00 0.00 C ATOM 445 C CYS A 31 6.070 1.212 -5.579 1.00 0.00 C ATOM 446 O CYS A 31 5.950 0.477 -6.557 1.00 0.00 O ATOM 447 CB CYS A 31 8.023 2.742 -5.872 1.00 0.00 C ATOM 448 SG CYS A 31 9.772 3.137 -5.646 1.00 0.00 S ATOM 0 H CYS A 31 9.110 0.498 -5.684 1.00 0.00 H new ATOM 0 HA CYS A 31 7.378 1.928 -4.009 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.863 2.512 -6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.443 3.638 -5.649 1.00 0.00 H new ATOM 453 N THR A 32 5.014 1.663 -4.915 1.00 0.00 N ATOM 454 CA THR A 32 3.631 1.488 -5.322 1.00 0.00 C ATOM 455 C THR A 32 2.957 2.813 -4.972 1.00 0.00 C ATOM 456 O THR A 32 3.320 3.405 -3.959 1.00 0.00 O ATOM 457 CB THR A 32 3.095 0.261 -4.573 1.00 0.00 C ATOM 458 OG1 THR A 32 3.670 -0.885 -5.171 1.00 0.00 O ATOM 459 CG2 THR A 32 1.577 0.078 -4.541 1.00 0.00 C ATOM 0 H THR A 32 5.104 2.182 -4.042 1.00 0.00 H new ATOM 0 HA THR A 32 3.460 1.288 -6.380 1.00 0.00 H new ATOM 0 HB THR A 32 3.373 0.413 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.232 -1.690 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.331 -0.825 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.117 0.940 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.200 -0.012 -5.560 1.00 0.00 H new ATOM 467 N PRO A 33 2.061 3.361 -5.800 1.00 0.00 N ATOM 468 CA PRO A 33 1.412 4.617 -5.469 1.00 0.00 C ATOM 469 C PRO A 33 0.476 4.410 -4.277 1.00 0.00 C ATOM 470 O PRO A 33 0.057 3.282 -4.018 1.00 0.00 O ATOM 471 CB PRO A 33 0.628 5.001 -6.727 1.00 0.00 C ATOM 472 CG PRO A 33 0.309 3.648 -7.367 1.00 0.00 C ATOM 473 CD PRO A 33 1.553 2.818 -7.049 1.00 0.00 C ATOM 0 HA PRO A 33 2.118 5.398 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.279 5.555 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.218 5.632 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.592 3.204 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.147 3.737 -8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.307 1.761 -6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.294 2.898 -7.844 1.00 0.00 H new ATOM 481 N VAL A 34 0.161 5.479 -3.533 1.00 0.00 N ATOM 482 CA VAL A 34 -0.915 5.402 -2.542 1.00 0.00 C ATOM 483 C VAL A 34 -2.143 4.749 -3.201 1.00 0.00 C ATOM 484 O VAL A 34 -2.401 4.950 -4.390 1.00 0.00 O ATOM 485 CB VAL A 34 -1.319 6.806 -2.056 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.509 7.289 -0.853 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.267 7.830 -3.195 1.00 0.00 C ATOM 0 H VAL A 34 0.624 6.385 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.564 4.819 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.351 6.716 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.846 8.284 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.651 6.601 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.548 7.326 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.558 8.810 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.253 7.881 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.953 7.528 -3.987 1.00 0.00 H new ATOM 497 N GLY A 35 -2.911 3.986 -2.427 1.00 0.00 N ATOM 498 CA GLY A 35 -4.057 3.248 -2.929 1.00 0.00 C ATOM 499 C GLY A 35 -5.083 4.175 -3.584 1.00 0.00 C ATOM 500 O GLY A 35 -5.796 4.894 -2.886 1.00 0.00 O ATOM 0 H GLY A 35 -2.751 3.865 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.723 2.505 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.528 2.705 -2.110 1.00 0.00 H new ATOM 504 N THR A 36 -5.170 4.172 -4.916 1.00 0.00 N ATOM 505 CA THR A 36 -6.124 5.007 -5.635 1.00 0.00 C ATOM 506 C THR A 36 -7.351 4.175 -6.019 1.00 0.00 C ATOM 507 O THR A 36 -7.427 2.985 -5.714 1.00 0.00 O ATOM 508 CB THR A 36 -5.455 5.725 -6.819 1.00 0.00 C ATOM 509 OG1 THR A 36 -6.344 6.703 -7.323 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.036 4.800 -7.965 1.00 0.00 C ATOM 0 H THR A 36 -4.584 3.594 -5.519 1.00 0.00 H new ATOM 0 HA THR A 36 -6.479 5.807 -4.985 1.00 0.00 H new ATOM 0 HB THR A 36 -4.537 6.166 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.926 7.168 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.573 5.389 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.322 4.064 -7.596 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.914 4.288 -8.359 1.00 0.00 H new ATOM 518 N SER A 37 -8.314 4.822 -6.673 1.00 0.00 N ATOM 519 CA SER A 37 -9.599 4.285 -7.087 1.00 0.00 C ATOM 520 C SER A 37 -9.559 2.810 -7.504 1.00 0.00 C ATOM 521 O SER A 37 -9.023 2.480 -8.560 1.00 0.00 O ATOM 522 CB SER A 37 -10.112 5.156 -8.237 1.00 0.00 C ATOM 523 OG SER A 37 -9.962 6.521 -7.888 1.00 0.00 O ATOM 0 H SER A 37 -8.205 5.800 -6.943 1.00 0.00 H new ATOM 0 HA SER A 37 -10.269 4.312 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.557 4.938 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.159 4.933 -8.439 1.00 0.00 H new ATOM 0 HG SER A 37 -10.287 7.084 -8.621 1.00 0.00 H new ATOM 529 N GLY A 38 -10.141 1.930 -6.685 1.00 0.00 N ATOM 530 CA GLY A 38 -10.265 0.508 -6.971 1.00 0.00 C ATOM 531 C GLY A 38 -9.105 -0.344 -6.457 1.00 0.00 C ATOM 532 O GLY A 38 -9.268 -1.557 -6.329 1.00 0.00 O ATOM 0 H GLY A 38 -10.546 2.197 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.192 0.141 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.349 0.373 -8.049 1.00 0.00 H new ATOM 536 N GLU A 39 -7.939 0.242 -6.163 1.00 0.00 N ATOM 537 CA GLU A 39 -6.810 -0.538 -5.674 1.00 0.00 C ATOM 538 C GLU A 39 -7.126 -1.126 -4.298 1.00 0.00 C ATOM 539 O GLU A 39 -7.862 -0.530 -3.511 1.00 0.00 O ATOM 540 CB GLU A 39 -5.534 0.309 -5.630 1.00 0.00 C ATOM 541 CG GLU A 39 -5.121 0.768 -7.035 1.00 0.00 C ATOM 542 CD GLU A 39 -3.735 1.406 -7.032 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.510 2.263 -6.151 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.928 1.032 -7.910 1.00 0.00 O ATOM 0 H GLU A 39 -7.759 1.242 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.636 -1.361 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.694 1.179 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.726 -0.270 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.128 -0.085 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.851 1.483 -7.414 1.00 0.00 H new ATOM 551 N ASP A 40 -6.571 -2.308 -4.016 1.00 0.00 N ATOM 552 CA ASP A 40 -6.773 -2.983 -2.744 1.00 0.00 C ATOM 553 C ASP A 40 -5.971 -2.277 -1.650 1.00 0.00 C ATOM 554 O ASP A 40 -4.879 -1.775 -1.916 1.00 0.00 O ATOM 555 CB ASP A 40 -6.386 -4.462 -2.861 1.00 0.00 C ATOM 556 CG ASP A 40 -6.963 -5.278 -1.707 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.306 -5.300 -0.645 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.047 -5.867 -1.917 1.00 0.00 O ATOM 0 H ASP A 40 -5.972 -2.818 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.828 -2.938 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.748 -4.861 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.300 -4.557 -2.869 1.00 0.00 H new ATOM 563 N CYS A 41 -6.503 -2.238 -0.428 1.00 0.00 N ATOM 564 CA CYS A 41 -5.859 -1.653 0.737 1.00 0.00 C ATOM 565 C CYS A 41 -6.096 -2.551 1.930 1.00 0.00 C ATOM 566 O CYS A 41 -7.103 -3.252 1.995 1.00 0.00 O ATOM 567 CB CYS A 41 -6.383 -0.243 1.034 1.00 0.00 C ATOM 568 SG CYS A 41 -6.600 0.217 2.772 1.00 0.00 S ATOM 0 H CYS A 41 -7.423 -2.626 -0.221 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.792 -1.566 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.699 0.473 0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.344 -0.128 0.533 1.00 0.00 H new ATOM 573 N HIS A 42 -5.170 -2.499 2.879 1.00 0.00 N ATOM 574 CA HIS A 42 -5.317 -3.205 4.138 1.00 0.00 C ATOM 575 C HIS A 42 -5.790 -2.159 5.143 1.00 0.00 C ATOM 576 O HIS A 42 -5.196 -1.083 5.199 1.00 0.00 O ATOM 577 CB HIS A 42 -3.980 -3.824 4.558 1.00 0.00 C ATOM 578 CG HIS A 42 -4.110 -4.837 5.655 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.629 -4.512 6.906 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.785 -6.165 5.634 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.590 -5.659 7.590 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.094 -6.680 6.874 1.00 0.00 N ATOM 0 H HIS A 42 -4.303 -1.969 2.796 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.028 -4.028 4.068 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.519 -4.296 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.308 -3.031 4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.365 -6.709 4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.923 -5.755 8.613 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.971 -7.643 7.185 1.00 0.00 H new ATOM 590 N PRO A 43 -6.839 -2.394 5.943 1.00 0.00 N ATOM 591 CA PRO A 43 -7.259 -1.405 6.924 1.00 0.00 C ATOM 592 C PRO A 43 -6.093 -1.021 7.853 1.00 0.00 C ATOM 593 O PRO A 43 -6.048 0.106 8.340 1.00 0.00 O ATOM 594 CB PRO A 43 -8.444 -2.032 7.666 1.00 0.00 C ATOM 595 CG PRO A 43 -8.291 -3.534 7.414 1.00 0.00 C ATOM 596 CD PRO A 43 -7.656 -3.593 6.026 1.00 0.00 C ATOM 0 HA PRO A 43 -7.564 -0.466 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.414 -1.802 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.395 -1.659 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.659 -4.006 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.253 -4.046 7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.053 -4.493 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.415 -3.610 5.244 1.00 0.00 H new ATOM 604 N ALA A 44 -5.134 -1.935 8.071 1.00 0.00 N ATOM 605 CA ALA A 44 -3.939 -1.699 8.871 1.00 0.00 C ATOM 606 C ALA A 44 -2.700 -1.432 7.998 1.00 0.00 C ATOM 607 O ALA A 44 -1.581 -1.589 8.483 1.00 0.00 O ATOM 608 CB ALA A 44 -3.714 -2.905 9.789 1.00 0.00 C ATOM 0 H ALA A 44 -5.176 -2.878 7.684 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.092 -0.801 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.822 -2.741 10.393 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.577 -3.031 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.583 -3.803 9.185 1.00 0.00 H new ATOM 614 N SER A 45 -2.876 -1.034 6.730 1.00 0.00 N ATOM 615 CA SER A 45 -1.790 -0.710 5.815 1.00 0.00 C ATOM 616 C SER A 45 -0.848 0.294 6.482 1.00 0.00 C ATOM 617 O SER A 45 -1.270 1.408 6.792 1.00 0.00 O ATOM 618 CB SER A 45 -2.364 -0.083 4.535 1.00 0.00 C ATOM 619 OG SER A 45 -2.823 -1.026 3.583 1.00 0.00 O ATOM 0 H SER A 45 -3.800 -0.928 6.310 1.00 0.00 H new ATOM 0 HA SER A 45 -1.246 -1.621 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.190 0.576 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.598 0.539 4.073 1.00 0.00 H new ATOM 0 HG SER A 45 -2.081 -1.290 3.000 1.00 0.00 H new ATOM 625 N HIS A 46 0.420 -0.082 6.674 1.00 0.00 N ATOM 626 CA HIS A 46 1.422 0.750 7.328 1.00 0.00 C ATOM 627 C HIS A 46 1.514 2.139 6.683 1.00 0.00 C ATOM 628 O HIS A 46 1.876 2.278 5.508 1.00 0.00 O ATOM 629 CB HIS A 46 2.769 0.027 7.342 1.00 0.00 C ATOM 630 CG HIS A 46 2.665 -1.347 7.945 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.274 -2.448 7.181 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.761 -1.724 9.256 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.112 -3.431 8.071 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.417 -3.058 9.323 1.00 0.00 N ATOM 0 H HIS A 46 0.780 -0.988 6.373 1.00 0.00 H new ATOM 0 HA HIS A 46 1.117 0.916 8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.149 -0.052 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.491 0.617 7.906 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.052 -1.095 10.084 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.771 -4.422 7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.398 -3.644 10.158 1.00 0.00 H new ATOM 642 N LYS A 47 1.171 3.161 7.472 1.00 0.00 N ATOM 643 CA LYS A 47 1.075 4.542 7.034 1.00 0.00 C ATOM 644 C LYS A 47 2.404 5.127 6.570 1.00 0.00 C ATOM 645 O LYS A 47 3.469 4.795 7.082 1.00 0.00 O ATOM 646 CB LYS A 47 0.394 5.396 8.111 1.00 0.00 C ATOM 647 CG LYS A 47 -1.008 4.874 8.472 1.00 0.00 C ATOM 648 CD LYS A 47 -1.900 4.737 7.228 1.00 0.00 C ATOM 649 CE LYS A 47 -3.338 4.347 7.586 1.00 0.00 C ATOM 650 NZ LYS A 47 -3.397 2.985 8.151 1.00 0.00 N ATOM 0 H LYS A 47 0.948 3.039 8.460 1.00 0.00 H new ATOM 0 HA LYS A 47 0.446 4.556 6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.015 5.410 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.317 6.425 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.920 3.906 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.477 5.553 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.907 5.681 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.477 3.986 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.742 5.060 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.965 4.402 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.333 2.572 7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.664 2.394 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.236 3.028 9.178 1.00 0.00 H new ATOM 664 N ILE A 48 2.297 6.003 5.572 1.00 0.00 N ATOM 665 CA ILE A 48 3.412 6.628 4.877 1.00 0.00 C ATOM 666 C ILE A 48 3.806 7.917 5.613 1.00 0.00 C ATOM 667 O ILE A 48 2.910 8.668 5.998 1.00 0.00 O ATOM 668 CB ILE A 48 2.964 6.931 3.430 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.428 5.675 2.711 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.093 7.543 2.589 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.661 6.046 1.440 1.00 0.00 C ATOM 0 H ILE A 48 1.392 6.307 5.214 1.00 0.00 H new ATOM 0 HA ILE A 48 4.281 5.970 4.855 1.00 0.00 H new ATOM 0 HB ILE A 48 2.157 7.658 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.259 5.016 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.774 5.120 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.730 7.738 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.420 8.478 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.931 6.848 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.297 5.139 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.816 6.684 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.323 6.579 0.758 1.00 0.00 H new ATOM 683 N PRO A 49 5.101 8.250 5.759 1.00 0.00 N ATOM 684 CA PRO A 49 6.260 7.457 5.378 1.00 0.00 C ATOM 685 C PRO A 49 6.548 6.417 6.464 1.00 0.00 C ATOM 686 O PRO A 49 6.693 6.773 7.632 1.00 0.00 O ATOM 687 CB PRO A 49 7.402 8.467 5.253 1.00 0.00 C ATOM 688 CG PRO A 49 7.048 9.535 6.290 1.00 0.00 C ATOM 689 CD PRO A 49 5.517 9.539 6.291 1.00 0.00 C ATOM 0 HA PRO A 49 6.116 6.907 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.368 8.008 5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.459 8.886 4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.449 9.289 7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.452 10.510 6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.130 9.686 7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.131 10.354 5.679 1.00 0.00 H new ATOM 697 N PHE A 50 6.683 5.145 6.085 1.00 0.00 N ATOM 698 CA PHE A 50 6.905 4.071 7.037 1.00 0.00 C ATOM 699 C PHE A 50 8.388 3.726 7.107 1.00 0.00 C ATOM 700 O PHE A 50 8.929 3.075 6.215 1.00 0.00 O ATOM 701 CB PHE A 50 6.079 2.836 6.657 1.00 0.00 C ATOM 702 CG PHE A 50 5.922 1.862 7.809 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.232 2.272 8.966 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.464 0.566 7.741 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.126 1.409 10.069 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.303 -0.318 8.824 1.00 0.00 C ATOM 707 CZ PHE A 50 5.664 0.114 9.999 1.00 0.00 C ATOM 0 H PHE A 50 6.641 4.838 5.113 1.00 0.00 H new ATOM 0 HA PHE A 50 6.582 4.407 8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.093 3.153 6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.556 2.328 5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.783 3.253 9.005 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.002 0.250 6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.631 1.741 10.970 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.671 -1.331 8.752 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.587 -0.550 10.847 1.00 0.00 H new ATOM 717 N SER A 51 9.041 4.167 8.183 1.00 0.00 N ATOM 718 CA SER A 51 10.446 3.910 8.449 1.00 0.00 C ATOM 719 C SER A 51 10.727 2.425 8.705 1.00 0.00 C ATOM 720 O SER A 51 11.866 1.987 8.570 1.00 0.00 O ATOM 721 CB SER A 51 10.863 4.747 9.662 1.00 0.00 C ATOM 722 OG SER A 51 10.247 6.020 9.594 1.00 0.00 O ATOM 0 H SER A 51 8.591 4.726 8.908 1.00 0.00 H new ATOM 0 HA SER A 51 11.026 4.188 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.574 4.241 10.583 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.947 4.857 9.685 1.00 0.00 H new ATOM 0 HG SER A 51 10.513 6.554 10.371 1.00 0.00 H new ATOM 728 N GLY A 52 9.712 1.669 9.140 1.00 0.00 N ATOM 729 CA GLY A 52 9.842 0.244 9.401 1.00 0.00 C ATOM 730 C GLY A 52 9.774 -0.544 8.093 1.00 0.00 C ATOM 731 O GLY A 52 10.098 -0.029 7.026 1.00 0.00 O ATOM 0 H GLY A 52 8.777 2.036 9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.788 0.045 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.048 -0.083 10.072 1.00 0.00 H new ATOM 735 N GLN A 53 9.357 -1.810 8.167 1.00 0.00 N ATOM 736 CA GLN A 53 9.184 -2.678 7.010 1.00 0.00 C ATOM 737 C GLN A 53 7.705 -3.037 6.911 1.00 0.00 C ATOM 738 O GLN A 53 7.195 -3.822 7.706 1.00 0.00 O ATOM 739 CB GLN A 53 10.099 -3.905 7.129 1.00 0.00 C ATOM 740 CG GLN A 53 11.589 -3.543 7.008 1.00 0.00 C ATOM 741 CD GLN A 53 11.943 -2.945 5.645 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.322 -3.661 4.722 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.801 -1.634 5.491 1.00 0.00 N ATOM 0 H GLN A 53 9.127 -2.265 9.051 1.00 0.00 H new ATOM 0 HA GLN A 53 9.476 -2.176 6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.924 -4.393 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.839 -4.625 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.850 -2.831 7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.190 -4.437 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.485 -1.060 6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.008 -1.201 4.591 1.00 0.00 H new ATOM 752 N ARG A 54 7.003 -2.385 5.979 1.00 0.00 N ATOM 753 CA ARG A 54 5.586 -2.595 5.725 1.00 0.00 C ATOM 754 C ARG A 54 5.380 -4.070 5.394 1.00 0.00 C ATOM 755 O ARG A 54 6.008 -4.572 4.469 1.00 0.00 O ATOM 756 CB ARG A 54 5.171 -1.675 4.568 1.00 0.00 C ATOM 757 CG ARG A 54 3.741 -1.886 4.050 1.00 0.00 C ATOM 758 CD ARG A 54 3.441 -1.104 2.760 1.00 0.00 C ATOM 759 NE ARG A 54 3.377 0.359 2.939 1.00 0.00 N ATOM 760 CZ ARG A 54 4.372 1.202 3.226 1.00 0.00 C ATOM 761 NH1 ARG A 54 5.629 0.877 2.934 1.00 0.00 N ATOM 762 NH2 ARG A 54 4.064 2.387 3.761 1.00 0.00 N ATOM 0 H ARG A 54 7.420 -1.681 5.369 1.00 0.00 H new ATOM 0 HA ARG A 54 4.968 -2.352 6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.274 -0.640 4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.866 -1.821 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.581 -2.949 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.034 -1.584 4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.209 -1.335 2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.492 -1.450 2.351 1.00 0.00 H new ATOM 0 HE ARG A 54 2.455 0.781 2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.834 -0.018 2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.387 1.523 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.089 2.628 3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.804 3.051 3.990 1.00 0.00 H new ATOM 776 N MET A 55 4.523 -4.766 6.141 1.00 0.00 N ATOM 777 CA MET A 55 4.278 -6.189 5.942 1.00 0.00 C ATOM 778 C MET A 55 3.250 -6.438 4.834 1.00 0.00 C ATOM 779 O MET A 55 3.295 -7.471 4.169 1.00 0.00 O ATOM 780 CB MET A 55 3.834 -6.807 7.277 1.00 0.00 C ATOM 781 CG MET A 55 3.781 -8.341 7.254 1.00 0.00 C ATOM 782 SD MET A 55 5.357 -9.180 6.939 1.00 0.00 S ATOM 783 CE MET A 55 4.876 -10.878 7.321 1.00 0.00 C ATOM 0 H MET A 55 3.980 -4.356 6.901 1.00 0.00 H new ATOM 0 HA MET A 55 5.200 -6.668 5.614 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.519 -6.487 8.062 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.848 -6.421 7.537 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.392 -8.687 8.212 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.068 -8.650 6.490 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.731 -11.539 7.180 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.539 -10.937 8.356 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.067 -11.185 6.658 1.00 0.00 H new ATOM 793 N HIS A 56 2.305 -5.512 4.644 1.00 0.00 N ATOM 794 CA HIS A 56 1.235 -5.674 3.668 1.00 0.00 C ATOM 795 C HIS A 56 1.660 -5.190 2.279 1.00 0.00 C ATOM 796 O HIS A 56 2.187 -4.090 2.133 1.00 0.00 O ATOM 797 CB HIS A 56 -0.023 -4.926 4.137 1.00 0.00 C ATOM 798 CG HIS A 56 -0.425 -5.221 5.558 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.791 -4.197 6.427 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.450 -6.410 6.238 1.00 0.00 C ATOM 801 CE1 HIS A 56 -1.027 -4.801 7.593 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.831 -6.128 7.534 1.00 0.00 N ATOM 0 H HIS A 56 2.264 -4.634 5.162 1.00 0.00 H new ATOM 0 HA HIS A 56 1.010 -6.738 3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.146 -3.854 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.851 -5.182 3.477 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.216 -7.384 5.836 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.341 -4.280 8.486 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.942 -6.796 8.297 1.00 0.00 H new ATOM 810 N HIS A 57 1.409 -6.001 1.246 1.00 0.00 N ATOM 811 CA HIS A 57 1.636 -5.619 -0.147 1.00 0.00 C ATOM 812 C HIS A 57 0.807 -4.398 -0.521 1.00 0.00 C ATOM 813 O HIS A 57 1.183 -3.614 -1.387 1.00 0.00 O ATOM 814 CB HIS A 57 1.166 -6.744 -1.071 1.00 0.00 C ATOM 815 CG HIS A 57 2.131 -7.879 -1.117 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.932 -9.039 -0.383 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.307 -7.967 -1.799 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.009 -9.776 -0.655 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.890 -9.167 -1.464 1.00 0.00 N ATOM 0 H HIS A 57 1.041 -6.946 1.356 1.00 0.00 H new ATOM 0 HA HIS A 57 2.701 -5.413 -0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.196 -7.108 -0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.024 -6.349 -2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.708 -7.230 -2.478 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.159 -10.770 -0.261 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.798 -9.519 -1.766 1.00 0.00 H new ATOM 827 N THR A 58 -0.339 -4.257 0.136 1.00 0.00 N ATOM 828 CA THR A 58 -1.349 -3.294 -0.209 1.00 0.00 C ATOM 829 C THR A 58 -1.175 -2.084 0.701 1.00 0.00 C ATOM 830 O THR A 58 -1.025 -2.218 1.917 1.00 0.00 O ATOM 831 CB THR A 58 -2.685 -4.009 -0.013 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.840 -4.346 1.350 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.711 -5.349 -0.775 1.00 0.00 C ATOM 0 H THR A 58 -0.587 -4.830 0.943 1.00 0.00 H new ATOM 0 HA THR A 58 -1.288 -2.929 -1.234 1.00 0.00 H new ATOM 0 HB THR A 58 -3.467 -3.340 -0.371 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.267 -3.769 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.673 -5.838 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.566 -5.165 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.913 -5.993 -0.406 1.00 0.00 H new ATOM 841 N CYS A 59 -1.195 -0.905 0.089 1.00 0.00 N ATOM 842 CA CYS A 59 -0.845 0.366 0.711 1.00 0.00 C ATOM 843 C CYS A 59 -2.066 1.165 1.134 1.00 0.00 C ATOM 844 O CYS A 59 -3.168 0.865 0.681 1.00 0.00 O ATOM 845 CB CYS A 59 0.047 1.118 -0.275 1.00 0.00 C ATOM 846 SG CYS A 59 1.734 0.500 -0.147 1.00 0.00 S ATOM 0 H CYS A 59 -1.465 -0.805 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.305 0.194 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.324 0.986 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.022 2.187 -0.063 1.00 0.00 H new ATOM 851 N PRO A 60 -1.896 2.168 2.015 1.00 0.00 N ATOM 852 CA PRO A 60 -3.022 2.946 2.486 1.00 0.00 C ATOM 853 C PRO A 60 -3.577 3.776 1.333 1.00 0.00 C ATOM 854 O PRO A 60 -2.861 4.118 0.388 1.00 0.00 O ATOM 855 CB PRO A 60 -2.491 3.800 3.636 1.00 0.00 C ATOM 856 CG PRO A 60 -1.027 4.005 3.256 1.00 0.00 C ATOM 857 CD PRO A 60 -0.647 2.699 2.557 1.00 0.00 C ATOM 0 HA PRO A 60 -3.849 2.332 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.025 4.747 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.593 3.294 4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.901 4.863 2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.407 4.184 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.081 2.875 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.193 1.997 3.257 1.00 0.00 H new ATOM 865 N CYS A 61 -4.870 4.074 1.411 1.00 0.00 N ATOM 866 CA CYS A 61 -5.573 4.787 0.365 1.00 0.00 C ATOM 867 C CYS A 61 -5.135 6.247 0.267 1.00 0.00 C ATOM 868 O CYS A 61 -4.767 6.863 1.266 1.00 0.00 O ATOM 869 CB CYS A 61 -7.080 4.682 0.594 1.00 0.00 C ATOM 870 SG CYS A 61 -7.767 3.014 0.559 1.00 0.00 S ATOM 0 H CYS A 61 -5.457 3.824 2.207 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.321 4.322 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.313 5.130 1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.586 5.279 -0.165 1.00 0.00 H new ATOM 875 N ALA A 62 -5.169 6.799 -0.949 1.00 0.00 N ATOM 876 CA ALA A 62 -4.854 8.194 -1.206 1.00 0.00 C ATOM 877 C ALA A 62 -5.826 9.078 -0.407 1.00 0.00 C ATOM 878 O ALA A 62 -6.982 8.693 -0.222 1.00 0.00 O ATOM 879 CB ALA A 62 -4.918 8.444 -2.717 1.00 0.00 C ATOM 0 H ALA A 62 -5.420 6.277 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.845 8.446 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.683 9.488 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.196 7.803 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.920 8.219 -3.081 1.00 0.00 H new ATOM 885 N PRO A 63 -5.379 10.255 0.065 1.00 0.00 N ATOM 886 CA PRO A 63 -6.133 11.143 0.949 1.00 0.00 C ATOM 887 C PRO A 63 -7.429 11.688 0.332 1.00 0.00 C ATOM 888 O PRO A 63 -7.507 12.829 -0.116 1.00 0.00 O ATOM 889 CB PRO A 63 -5.153 12.246 1.356 1.00 0.00 C ATOM 890 CG PRO A 63 -4.232 12.308 0.144 1.00 0.00 C ATOM 891 CD PRO A 63 -4.085 10.841 -0.246 1.00 0.00 C ATOM 0 HA PRO A 63 -6.498 10.594 1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.658 13.195 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.612 11.996 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.665 12.899 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.271 12.759 0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.843 10.733 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.285 10.359 0.315 1.00 0.00 H new ATOM 899 N ASN A 64 -8.449 10.836 0.364 1.00 0.00 N ATOM 900 CA ASN A 64 -9.834 11.014 -0.073 1.00 0.00 C ATOM 901 C ASN A 64 -10.490 9.638 -0.158 1.00 0.00 C ATOM 902 O ASN A 64 -11.587 9.428 0.351 1.00 0.00 O ATOM 903 CB ASN A 64 -9.955 11.718 -1.435 1.00 0.00 C ATOM 904 CG ASN A 64 -11.346 11.511 -2.033 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.521 10.749 -2.979 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.335 12.165 -1.448 1.00 0.00 N ATOM 0 H ASN A 64 -8.311 9.897 0.739 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.331 11.655 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.760 12.784 -1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.199 11.330 -2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.292 12.046 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.141 12.788 -0.664 1.00 0.00 H new ATOM 913 N LEU A 65 -9.808 8.701 -0.816 1.00 0.00 N ATOM 914 CA LEU A 65 -10.312 7.357 -1.008 1.00 0.00 C ATOM 915 C LEU A 65 -10.419 6.665 0.356 1.00 0.00 C ATOM 916 O LEU A 65 -9.488 6.736 1.158 1.00 0.00 O ATOM 917 CB LEU A 65 -9.350 6.564 -1.898 1.00 0.00 C ATOM 918 CG LEU A 65 -9.207 6.931 -3.383 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.472 6.629 -4.182 1.00 0.00 C ATOM 920 CD2 LEU A 65 -8.763 8.376 -3.617 1.00 0.00 C ATOM 0 H LEU A 65 -8.889 8.861 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.291 7.401 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.359 6.633 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.650 5.517 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.407 6.288 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.319 6.906 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.697 5.564 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.305 7.200 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.683 8.563 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.496 9.057 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.793 8.539 -3.147 1.00 0.00 H new ATOM 932 N ALA A 66 -11.533 5.982 0.616 1.00 0.00 N ATOM 933 CA ALA A 66 -11.771 5.237 1.842 1.00 0.00 C ATOM 934 C ALA A 66 -11.507 3.753 1.587 1.00 0.00 C ATOM 935 O ALA A 66 -11.922 3.215 0.559 1.00 0.00 O ATOM 936 CB ALA A 66 -13.212 5.457 2.303 1.00 0.00 C ATOM 0 H ALA A 66 -12.312 5.933 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.099 5.585 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.389 4.898 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.377 6.519 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.898 5.111 1.530 1.00 0.00 H new ATOM 942 N CYS A 67 -10.826 3.097 2.532 1.00 0.00 N ATOM 943 CA CYS A 67 -10.499 1.677 2.478 1.00 0.00 C ATOM 944 C CYS A 67 -11.735 0.882 2.903 1.00 0.00 C ATOM 945 O CYS A 67 -11.850 0.498 4.065 1.00 0.00 O ATOM 946 CB CYS A 67 -9.316 1.401 3.417 1.00 0.00 C ATOM 947 SG CYS A 67 -8.578 -0.234 3.237 1.00 0.00 S ATOM 0 H CYS A 67 -10.480 3.555 3.375 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.214 1.378 1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.547 2.153 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.651 1.522 4.447 1.00 0.00 H new ATOM 952 N VAL A 68 -12.677 0.657 1.983 1.00 0.00 N ATOM 953 CA VAL A 68 -13.943 -0.007 2.281 1.00 0.00 C ATOM 954 C VAL A 68 -13.910 -1.474 1.879 1.00 0.00 C ATOM 955 O VAL A 68 -13.331 -1.853 0.864 1.00 0.00 O ATOM 956 CB VAL A 68 -15.126 0.746 1.652 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.937 1.044 0.158 1.00 0.00 C ATOM 958 CG2 VAL A 68 -16.467 0.027 1.857 1.00 0.00 C ATOM 0 H VAL A 68 -12.579 0.933 1.006 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.089 0.017 3.361 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.150 1.695 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.810 1.577 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.048 1.659 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.819 0.108 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.265 0.606 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.423 -0.962 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.667 -0.073 2.924 1.00 0.00 H new ATOM 968 N GLN A 69 -14.553 -2.304 2.696 1.00 0.00 N ATOM 969 CA GLN A 69 -14.617 -3.735 2.476 1.00 0.00 C ATOM 970 C GLN A 69 -15.601 -4.059 1.357 1.00 0.00 C ATOM 971 O GLN A 69 -16.733 -3.576 1.363 1.00 0.00 O ATOM 972 CB GLN A 69 -14.819 -4.459 3.817 1.00 0.00 C ATOM 973 CG GLN A 69 -16.259 -4.680 4.273 1.00 0.00 C ATOM 974 CD GLN A 69 -16.789 -5.979 3.675 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.501 -7.067 4.162 1.00 0.00 O ATOM 976 NE2 GLN A 69 -17.488 -5.880 2.555 1.00 0.00 N ATOM 0 H GLN A 69 -15.046 -1.994 3.534 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.672 -4.127 2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.330 -5.431 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.302 -3.891 4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.304 -4.723 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.883 -3.843 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.713 -4.961 2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.802 -6.723 2.074 1.00 0.00 H new ATOM 985 N THR A 70 -15.167 -4.897 0.415 1.00 0.00 N ATOM 986 CA THR A 70 -16.009 -5.462 -0.631 1.00 0.00 C ATOM 987 C THR A 70 -16.381 -6.867 -0.147 1.00 0.00 C ATOM 988 O THR A 70 -17.508 -7.328 -0.320 1.00 0.00 O ATOM 989 CB THR A 70 -15.298 -5.445 -1.993 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.112 -6.211 -1.991 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.953 -4.010 -2.406 1.00 0.00 C ATOM 0 H THR A 70 -14.197 -5.207 0.360 1.00 0.00 H new ATOM 0 HA THR A 70 -16.912 -4.875 -0.798 1.00 0.00 H new ATOM 0 HB THR A 70 -15.993 -5.887 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.544 -5.932 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.450 -4.021 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.868 -3.422 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.295 -3.565 -1.660 1.00 0.00 H new ATOM 999 N SER A 71 -15.453 -7.530 0.545 1.00 0.00 N ATOM 1000 CA SER A 71 -15.641 -8.786 1.252 1.00 0.00 C ATOM 1001 C SER A 71 -14.535 -8.818 2.313 1.00 0.00 C ATOM 1002 O SER A 71 -13.610 -8.005 2.226 1.00 0.00 O ATOM 1003 CB SER A 71 -15.557 -9.980 0.291 1.00 0.00 C ATOM 1004 OG SER A 71 -16.113 -9.675 -0.974 1.00 0.00 O ATOM 0 H SER A 71 -14.498 -7.180 0.628 1.00 0.00 H new ATOM 0 HA SER A 71 -16.628 -8.857 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.515 -10.276 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.082 -10.832 0.723 1.00 0.00 H new ATOM 0 HG SER A 71 -16.041 -10.457 -1.560 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.606 -9.712 3.310 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.558 -9.875 4.304 1.00 0.00 C ATOM 1012 C PRO A 72 -12.194 -9.964 3.614 1.00 0.00 C ATOM 1013 O PRO A 72 -12.072 -10.644 2.594 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.915 -11.162 5.051 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.443 -11.181 4.971 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.725 -10.592 3.587 1.00 0.00 C ATOM 0 HA PRO A 72 -13.490 -9.034 4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.473 -12.040 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.563 -11.143 6.082 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.839 -12.192 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.896 -10.584 5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.804 -11.377 2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.668 -10.045 3.577 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.192 -9.240 4.126 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.841 -9.131 3.570 1.00 0.00 C ATOM 1026 C LYS A 73 -9.829 -8.237 2.323 1.00 0.00 C ATOM 1027 O LYS A 73 -8.986 -7.347 2.213 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.197 -10.500 3.291 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.232 -11.428 4.517 1.00 0.00 C ATOM 1030 CD LYS A 73 -8.797 -12.859 4.166 1.00 0.00 C ATOM 1031 CE LYS A 73 -9.982 -13.769 3.805 1.00 0.00 C ATOM 1032 NZ LYS A 73 -10.733 -13.294 2.629 1.00 0.00 N ATOM 0 H LYS A 73 -11.307 -8.690 4.977 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.225 -8.657 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.716 -10.980 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.163 -10.355 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.578 -11.030 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.241 -11.446 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.101 -12.827 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.259 -13.288 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.614 -14.777 3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.657 -13.834 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.455 -13.997 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.195 -12.390 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.080 -13.160 1.831 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.766 -8.450 1.394 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.900 -7.673 0.171 1.00 0.00 C ATOM 1048 C LYS A 74 -11.387 -6.252 0.476 1.00 0.00 C ATOM 1049 O LYS A 74 -12.539 -5.901 0.209 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.852 -8.370 -0.810 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.385 -9.774 -1.211 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.366 -10.415 -2.205 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.365 -9.727 -3.576 1.00 0.00 C ATOM 1054 NZ LYS A 74 -13.224 -10.447 -4.532 1.00 0.00 N ATOM 0 H LYS A 74 -11.466 -9.187 1.479 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.917 -7.602 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.842 -8.439 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.952 -7.758 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.393 -9.718 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.299 -10.401 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.110 -11.467 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.372 -10.380 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.714 -8.700 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.347 -9.680 -3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.205 -9.960 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.875 -11.420 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.200 -10.470 -4.173 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.498 -5.423 1.016 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.751 -4.021 1.297 1.00 0.00 C ATOM 1070 C PHE A 75 -10.135 -3.224 0.152 1.00 0.00 C ATOM 1071 O PHE A 75 -9.008 -3.499 -0.250 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.175 -3.630 2.661 1.00 0.00 C ATOM 1073 CG PHE A 75 -11.044 -3.938 3.871 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.415 -5.264 4.169 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.361 -2.911 4.783 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -12.012 -5.571 5.405 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.952 -3.219 6.020 1.00 0.00 C ATOM 1078 CZ PHE A 75 -12.259 -4.552 6.341 1.00 0.00 C ATOM 0 H PHE A 75 -9.557 -5.720 1.276 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.819 -3.811 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.219 -4.138 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.968 -2.560 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.240 -6.047 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.149 -1.883 4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.281 -6.591 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.170 -2.430 6.725 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.684 -4.793 7.304 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.883 -2.273 -0.413 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.459 -1.497 -1.565 1.00 0.00 C ATOM 1090 C LYS A 76 -10.701 -0.006 -1.352 1.00 0.00 C ATOM 1091 O LYS A 76 -11.563 0.406 -0.576 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.153 -2.010 -2.833 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.979 -3.528 -2.980 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.342 -3.984 -4.396 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.298 -5.514 -4.506 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.948 -6.049 -4.250 1.00 0.00 N ATOM 0 H LYS A 76 -11.812 -2.022 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.384 -1.626 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.214 -1.764 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.740 -1.507 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.948 -3.803 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.610 -4.042 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.338 -3.625 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.649 -3.544 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.001 -5.949 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.624 -5.815 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.940 -7.073 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.264 -5.579 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.687 -5.873 -3.259 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.905 0.794 -2.056 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.895 2.243 -1.991 1.00 0.00 C ATOM 1112 C CYS A 77 -10.984 2.806 -2.896 1.00 0.00 C ATOM 1113 O CYS A 77 -10.803 2.833 -4.112 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.502 2.723 -2.417 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.181 2.238 -1.283 1.00 0.00 S ATOM 0 H CYS A 77 -9.220 0.427 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.101 2.592 -0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.280 2.328 -3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.513 3.810 -2.502 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.111 3.250 -2.324 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.224 3.815 -3.089 1.00 0.00 C ATOM 1122 C LEU A 78 -13.416 5.292 -2.763 1.00 0.00 C ATOM 1123 O LEU A 78 -13.086 5.756 -1.676 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.508 3.022 -2.830 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.676 3.298 -3.794 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.322 2.954 -5.249 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.876 2.448 -3.360 1.00 0.00 C ATOM 0 H LEU A 78 -12.274 3.226 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.985 3.739 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.270 1.959 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.843 3.233 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.906 4.363 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.177 3.165 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.471 3.555 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.067 1.897 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.714 2.631 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.606 1.393 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.162 2.715 -2.343 1.00 0.00 H new ATOM 1139 N SER A 79 -13.958 6.020 -3.731 1.00 0.00 N ATOM 1140 CA SER A 79 -14.209 7.451 -3.681 1.00 0.00 C ATOM 1141 C SER A 79 -15.287 7.801 -2.656 1.00 0.00 C ATOM 1142 O SER A 79 -16.230 7.030 -2.475 1.00 0.00 O ATOM 1143 CB SER A 79 -14.635 7.887 -5.085 1.00 0.00 C ATOM 1144 OG SER A 79 -15.517 6.914 -5.621 1.00 0.00 O ATOM 0 H SER A 79 -14.248 5.605 -4.616 1.00 0.00 H new ATOM 0 HA SER A 79 -13.306 7.975 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.126 8.859 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.761 7.998 -5.727 1.00 0.00 H new ATOM 0 HG SER A 79 -15.797 7.186 -6.520 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.146 8.968 -2.027 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.050 9.569 -1.065 1.00 0.00 C ATOM 1152 C LYS A 80 -15.919 11.075 -1.297 1.00 0.00 C ATOM 1153 O LYS A 80 -14.887 11.452 -1.906 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.631 9.222 0.373 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.638 7.723 0.707 1.00 0.00 C ATOM 1156 CD LYS A 80 -17.046 7.116 0.672 1.00 0.00 C ATOM 1157 CE LYS A 80 -16.978 5.616 0.977 1.00 0.00 C ATOM 1158 NZ LYS A 80 -18.313 4.998 0.916 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.832 11.812 -0.870 1.00 0.00 O ATOM 0 H LYS A 80 -14.331 9.558 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.072 9.210 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.629 9.613 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.299 9.736 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.001 7.194 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.207 7.573 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.684 7.615 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.496 7.276 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.315 5.127 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.549 5.463 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.235 3.983 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.937 5.450 1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.711 5.124 -0.037 1.00 0.00 H new TER 1173 LYS A 80