USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 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 Set 1.1: A 40 MET CE :methyl -134:sc= -0.929 (180deg=-1.9!) USER MOD Set 1.2: A 41 MET CE :methyl 149:sc= -3.07! (180deg=-5.25!) USER MOD Single : A 3 THR OG1 : rot -11:sc= 0.765 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 118:sc= -1.83 USER MOD Single : A 30 LYS NZ :NH3+ -110:sc= 0.0129 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 80:sc= -4.92! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 0.00928 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -3.24 K(o=-3.2,f=-0.54) USER MOD Single : A 46 MET CE :methyl -136:sc= -8.63! (180deg=-14!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -9.37! C(o=-9.4!,f=-9.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.1! USER MOD Single : A 69 SER OG : rot 180:sc= -0.655! USER MOD Single : A 70 TYR OH : rot 169:sc= -0.831 USER MOD Single : A 78 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-5.4!) USER MOD Single : A 79 GLN : amide:sc= -4.96! C(o=-5!,f=-3.5!) USER MOD Single : A 81 SER OG : rot 100:sc= -7.18! USER MOD Single : A 83 ASN : amide:sc= 0.0327 X(o=0.033,f=-0.019) USER MOD Single : A 85 SER OG : rot 84:sc= -1.69! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -8.190 25.470 -15.106 1.00 0.00 N ATOM 2 CA THR A 3 -7.624 25.802 -13.805 1.00 0.00 C ATOM 3 C THR A 3 -6.820 24.636 -13.242 1.00 0.00 C ATOM 4 O THR A 3 -7.290 23.908 -12.368 1.00 0.00 O ATOM 5 CB THR A 3 -8.722 26.186 -12.796 1.00 0.00 C ATOM 6 OG1 THR A 3 -10.005 25.783 -13.290 1.00 0.00 O ATOM 7 CG2 THR A 3 -8.722 27.686 -12.540 1.00 0.00 C ATOM 0 HA THR A 3 -6.964 26.656 -13.956 1.00 0.00 H new ATOM 0 HB THR A 3 -8.516 25.672 -11.857 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.926 25.520 -14.231 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.506 27.933 -11.824 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.755 27.986 -12.137 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.905 28.215 -13.475 1.00 0.00 H new ATOM 15 N ASP A 4 -5.605 24.461 -13.752 1.00 0.00 N ATOM 16 CA ASP A 4 -4.733 23.385 -13.306 1.00 0.00 C ATOM 17 C ASP A 4 -3.855 23.837 -12.143 1.00 0.00 C ATOM 18 O ASP A 4 -3.063 24.769 -12.275 1.00 0.00 O ATOM 19 CB ASP A 4 -3.856 22.899 -14.461 1.00 0.00 C ATOM 20 CG ASP A 4 -2.767 21.949 -14.001 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.002 22.321 -13.087 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.680 20.833 -14.555 1.00 0.00 O ATOM 0 H ASP A 4 -5.203 25.054 -14.477 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.362 22.563 -12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.480 22.400 -15.202 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.401 23.758 -14.954 1.00 0.00 H new ATOM 27 N ILE A 5 -3.996 23.161 -11.009 1.00 0.00 N ATOM 28 CA ILE A 5 -3.211 23.481 -9.823 1.00 0.00 C ATOM 29 C ILE A 5 -1.915 22.684 -9.810 1.00 0.00 C ATOM 30 O ILE A 5 -1.743 21.757 -10.597 1.00 0.00 O ATOM 31 CB ILE A 5 -3.981 23.179 -8.519 1.00 0.00 C ATOM 32 CG1 ILE A 5 -5.403 22.694 -8.812 1.00 0.00 C ATOM 33 CG2 ILE A 5 -4.017 24.410 -7.634 1.00 0.00 C ATOM 34 CD1 ILE A 5 -6.228 23.684 -9.606 1.00 0.00 C ATOM 0 H ILE A 5 -4.648 22.386 -10.886 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.000 24.549 -9.868 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.456 22.380 -7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.352 21.754 -9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.909 22.486 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.563 24.184 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.999 24.709 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.515 25.223 -8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.223 23.274 -9.777 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.311 24.618 -9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.745 23.874 -10.564 1.00 0.00 H new ATOM 46 N ASP A 6 -1.007 23.034 -8.906 1.00 0.00 N ATOM 47 CA ASP A 6 0.256 22.318 -8.802 1.00 0.00 C ATOM 48 C ASP A 6 0.032 20.973 -8.133 1.00 0.00 C ATOM 49 O ASP A 6 0.473 19.936 -8.628 1.00 0.00 O ATOM 50 CB ASP A 6 1.283 23.125 -8.011 1.00 0.00 C ATOM 51 CG ASP A 6 2.581 22.362 -7.826 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.519 21.146 -7.539 1.00 0.00 O ATOM 53 OD2 ASP A 6 3.657 22.978 -7.969 1.00 0.00 O ATOM 0 H ASP A 6 -1.121 23.800 -8.242 1.00 0.00 H new ATOM 0 HA ASP A 6 0.645 22.165 -9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.484 24.063 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.870 23.381 -7.035 1.00 0.00 H new ATOM 58 N GLU A 7 -0.669 21.002 -7.006 1.00 0.00 N ATOM 59 CA GLU A 7 -0.977 19.791 -6.257 1.00 0.00 C ATOM 60 C GLU A 7 0.275 19.180 -5.628 1.00 0.00 C ATOM 61 O GLU A 7 0.306 18.922 -4.426 1.00 0.00 O ATOM 62 CB GLU A 7 -1.665 18.773 -7.169 1.00 0.00 C ATOM 63 CG GLU A 7 -2.851 19.348 -7.936 1.00 0.00 C ATOM 64 CD GLU A 7 -2.526 19.627 -9.390 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.409 19.277 -9.827 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.390 20.189 -10.096 1.00 0.00 O ATOM 0 H GLU A 7 -1.037 21.857 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.652 20.063 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.937 18.384 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.005 17.930 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.687 18.650 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.176 20.272 -7.457 1.00 0.00 H new ATOM 73 N CYS A 8 1.306 18.947 -6.438 1.00 0.00 N ATOM 74 CA CYS A 8 2.547 18.365 -5.939 1.00 0.00 C ATOM 75 C CYS A 8 3.216 19.295 -4.934 1.00 0.00 C ATOM 76 O CYS A 8 3.794 18.844 -3.944 1.00 0.00 O ATOM 77 CB CYS A 8 3.501 18.068 -7.097 1.00 0.00 C ATOM 78 SG CYS A 8 5.059 17.265 -6.595 1.00 0.00 S ATOM 0 H CYS A 8 1.306 19.152 -7.437 1.00 0.00 H new ATOM 0 HA CYS A 8 2.304 17.430 -5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.992 17.428 -7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.735 19.002 -7.609 1.00 0.00 H new ATOM 83 N ARG A 9 3.130 20.595 -5.191 1.00 0.00 N ATOM 84 CA ARG A 9 3.722 21.588 -4.305 1.00 0.00 C ATOM 85 C ARG A 9 3.003 21.602 -2.961 1.00 0.00 C ATOM 86 O ARG A 9 3.582 21.975 -1.940 1.00 0.00 O ATOM 87 CB ARG A 9 3.665 22.976 -4.944 1.00 0.00 C ATOM 88 CG ARG A 9 4.904 23.327 -5.750 1.00 0.00 C ATOM 89 CD ARG A 9 6.099 23.590 -4.850 1.00 0.00 C ATOM 90 NE ARG A 9 6.752 24.858 -5.165 1.00 0.00 N ATOM 91 CZ ARG A 9 6.315 26.037 -4.734 1.00 0.00 C ATOM 92 NH1 ARG A 9 5.232 26.108 -3.972 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.962 27.147 -5.064 1.00 0.00 N ATOM 0 H ARG A 9 2.656 20.985 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 9 4.766 21.320 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.792 23.032 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.528 23.722 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.136 22.512 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.705 24.209 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.775 23.598 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.817 22.777 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 9 7.589 24.838 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.732 25.257 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.899 27.014 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.796 27.096 -5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.626 28.051 -4.733 1.00 0.00 H new ATOM 107 N ILE A 10 1.741 21.187 -2.968 1.00 0.00 N ATOM 108 CA ILE A 10 0.948 21.144 -1.749 1.00 0.00 C ATOM 109 C ILE A 10 1.793 20.652 -0.584 1.00 0.00 C ATOM 110 O ILE A 10 1.658 21.124 0.544 1.00 0.00 O ATOM 111 CB ILE A 10 -0.273 20.220 -1.912 1.00 0.00 C ATOM 112 CG1 ILE A 10 -1.292 20.850 -2.861 1.00 0.00 C ATOM 113 CG2 ILE A 10 -0.904 19.924 -0.559 1.00 0.00 C ATOM 114 CD1 ILE A 10 -2.170 21.890 -2.203 1.00 0.00 C ATOM 0 H ILE A 10 1.247 20.876 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 10 0.599 22.157 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 10 0.060 19.276 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.763 21.309 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.923 20.064 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.765 19.270 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.173 19.433 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.226 20.857 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.868 22.294 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.727 21.432 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.549 22.696 -1.812 1.00 0.00 H new ATOM 126 N SER A 11 2.663 19.694 -0.873 1.00 0.00 N ATOM 127 CA SER A 11 3.536 19.122 0.137 1.00 0.00 C ATOM 128 C SER A 11 4.653 18.313 -0.512 1.00 0.00 C ATOM 129 O SER A 11 4.482 17.770 -1.603 1.00 0.00 O ATOM 130 CB SER A 11 2.726 18.235 1.080 1.00 0.00 C ATOM 131 OG SER A 11 2.805 18.700 2.416 1.00 0.00 O ATOM 0 H SER A 11 2.782 19.296 -1.805 1.00 0.00 H new ATOM 0 HA SER A 11 3.987 19.934 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.684 18.216 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.095 17.211 1.026 1.00 0.00 H new ATOM 0 HG SER A 11 2.276 18.115 2.998 1.00 0.00 H new ATOM 137 N PRO A 12 5.811 18.217 0.154 1.00 0.00 N ATOM 138 CA PRO A 12 6.957 17.471 -0.350 1.00 0.00 C ATOM 139 C PRO A 12 6.823 15.984 -0.064 1.00 0.00 C ATOM 140 O PRO A 12 7.499 15.155 -0.674 1.00 0.00 O ATOM 141 CB PRO A 12 8.147 18.055 0.422 1.00 0.00 C ATOM 142 CG PRO A 12 7.581 19.079 1.362 1.00 0.00 C ATOM 143 CD PRO A 12 6.105 18.817 1.452 1.00 0.00 C ATOM 0 HA PRO A 12 7.060 17.560 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.675 17.275 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.867 18.509 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.048 19.002 2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.773 20.088 0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.862 18.144 2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.539 19.735 1.613 1.00 0.00 H new ATOM 151 N ASP A 13 5.936 15.655 0.869 1.00 0.00 N ATOM 152 CA ASP A 13 5.694 14.269 1.244 1.00 0.00 C ATOM 153 C ASP A 13 4.284 13.861 0.845 1.00 0.00 C ATOM 154 O ASP A 13 3.719 12.914 1.393 1.00 0.00 O ATOM 155 CB ASP A 13 5.891 14.081 2.748 1.00 0.00 C ATOM 156 CG ASP A 13 6.832 12.936 3.069 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.052 12.083 2.183 1.00 0.00 O ATOM 158 OD2 ASP A 13 7.350 12.893 4.204 1.00 0.00 O ATOM 0 H ASP A 13 5.371 16.333 1.380 1.00 0.00 H new ATOM 0 HA ASP A 13 6.409 13.635 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.284 15.002 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.925 13.897 3.218 1.00 0.00 H new ATOM 163 N LEU A 14 3.722 14.587 -0.114 1.00 0.00 N ATOM 164 CA LEU A 14 2.374 14.311 -0.596 1.00 0.00 C ATOM 165 C LEU A 14 2.106 12.812 -0.666 1.00 0.00 C ATOM 166 O LEU A 14 1.213 12.297 0.006 1.00 0.00 O ATOM 167 CB LEU A 14 2.168 14.941 -1.974 1.00 0.00 C ATOM 168 CG LEU A 14 0.825 15.646 -2.167 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.022 16.985 -2.859 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.128 14.767 -2.963 1.00 0.00 C ATOM 0 H LEU A 14 4.180 15.373 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 14 1.670 14.749 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.968 15.660 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.265 14.163 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 14 0.386 15.828 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.056 17.473 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.669 17.617 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.482 16.826 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.079 15.284 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.304 14.554 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.293 13.832 -2.428 1.00 0.00 H new ATOM 182 N CYS A 15 2.883 12.121 -1.489 1.00 0.00 N ATOM 183 CA CYS A 15 2.731 10.679 -1.659 1.00 0.00 C ATOM 184 C CYS A 15 3.249 9.921 -0.441 1.00 0.00 C ATOM 185 O CYS A 15 3.152 8.700 -0.370 1.00 0.00 O ATOM 186 CB CYS A 15 3.473 10.212 -2.913 1.00 0.00 C ATOM 187 SG CYS A 15 3.582 11.468 -4.228 1.00 0.00 S ATOM 0 H CYS A 15 3.627 12.535 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 15 1.668 10.467 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.481 9.907 -2.633 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.972 9.329 -3.310 1.00 0.00 H new ATOM 192 N GLY A 16 3.802 10.651 0.517 1.00 0.00 N ATOM 193 CA GLY A 16 4.326 10.024 1.715 1.00 0.00 C ATOM 194 C GLY A 16 5.456 9.057 1.414 1.00 0.00 C ATOM 195 O GLY A 16 5.875 8.291 2.283 1.00 0.00 O ATOM 0 H GLY A 16 3.898 11.666 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.683 10.794 2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.523 9.492 2.225 1.00 0.00 H new ATOM 199 N ARG A 17 5.950 9.091 0.180 1.00 0.00 N ATOM 200 CA ARG A 17 7.037 8.211 -0.234 1.00 0.00 C ATOM 201 C ARG A 17 7.383 8.429 -1.704 1.00 0.00 C ATOM 202 O ARG A 17 8.547 8.622 -2.056 1.00 0.00 O ATOM 203 CB ARG A 17 6.657 6.749 -0.003 1.00 0.00 C ATOM 204 CG ARG A 17 7.837 5.794 -0.079 1.00 0.00 C ATOM 205 CD ARG A 17 8.303 5.377 1.305 1.00 0.00 C ATOM 206 NE ARG A 17 8.938 4.062 1.296 1.00 0.00 N ATOM 207 CZ ARG A 17 9.840 3.674 2.192 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.214 4.499 3.160 1.00 0.00 N ATOM 209 NH2 ARG A 17 10.370 2.460 2.120 1.00 0.00 N ATOM 0 H ARG A 17 5.615 9.719 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 17 7.913 8.451 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.187 6.655 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.914 6.454 -0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.555 4.910 -0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.659 6.271 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.006 6.116 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.452 5.364 1.985 1.00 0.00 H new ATOM 0 HE ARG A 17 8.675 3.405 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.809 5.434 3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.906 4.199 3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.086 1.823 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.062 2.164 2.808 1.00 0.00 H new ATOM 223 N GLY A 18 6.365 8.394 -2.556 1.00 0.00 N ATOM 224 CA GLY A 18 6.578 8.587 -3.978 1.00 0.00 C ATOM 225 C GLY A 18 6.857 10.033 -4.335 1.00 0.00 C ATOM 226 O GLY A 18 7.403 10.785 -3.528 1.00 0.00 O ATOM 0 H GLY A 18 5.394 8.235 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.414 7.968 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.698 8.245 -4.523 1.00 0.00 H new ATOM 230 N GLN A 19 6.485 10.422 -5.550 1.00 0.00 N ATOM 231 CA GLN A 19 6.701 11.787 -6.016 1.00 0.00 C ATOM 232 C GLN A 19 5.441 12.347 -6.667 1.00 0.00 C ATOM 233 O GLN A 19 5.045 11.912 -7.749 1.00 0.00 O ATOM 234 CB GLN A 19 7.862 11.823 -7.010 1.00 0.00 C ATOM 235 CG GLN A 19 9.083 11.049 -6.544 1.00 0.00 C ATOM 236 CD GLN A 19 10.292 11.939 -6.330 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.594 12.336 -5.204 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.990 12.259 -7.414 1.00 0.00 N ATOM 0 H GLN A 19 6.032 9.811 -6.230 1.00 0.00 H new ATOM 0 HA GLN A 19 6.946 12.407 -5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.526 11.416 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.145 12.860 -7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.848 10.533 -5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.326 10.283 -7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.703 11.907 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.813 12.856 -7.333 1.00 0.00 H new ATOM 247 N CYS A 20 4.813 13.313 -6.004 1.00 0.00 N ATOM 248 CA CYS A 20 3.597 13.927 -6.523 1.00 0.00 C ATOM 249 C CYS A 20 3.794 14.419 -7.953 1.00 0.00 C ATOM 250 O CYS A 20 4.767 15.109 -8.257 1.00 0.00 O ATOM 251 CB CYS A 20 3.162 15.091 -5.631 1.00 0.00 C ATOM 252 SG CYS A 20 4.536 16.114 -5.007 1.00 0.00 S ATOM 0 H CYS A 20 5.126 13.687 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 20 2.817 13.166 -6.525 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.477 15.727 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.605 14.694 -4.782 1.00 0.00 H new ATOM 257 N VAL A 21 2.855 14.067 -8.826 1.00 0.00 N ATOM 258 CA VAL A 21 2.912 14.480 -10.222 1.00 0.00 C ATOM 259 C VAL A 21 1.871 15.559 -10.497 1.00 0.00 C ATOM 260 O VAL A 21 0.987 15.792 -9.678 1.00 0.00 O ATOM 261 CB VAL A 21 2.680 13.291 -11.176 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.200 12.954 -11.266 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.250 13.593 -12.553 1.00 0.00 C ATOM 0 H VAL A 21 2.044 13.495 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 21 3.911 14.877 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 21 3.201 12.422 -10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.059 12.112 -11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.826 12.689 -10.277 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.652 13.818 -11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.077 12.743 -13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.761 14.476 -12.964 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.321 13.777 -12.471 1.00 0.00 H new ATOM 273 N ASN A 22 1.980 16.217 -11.646 1.00 0.00 N ATOM 274 CA ASN A 22 1.037 17.273 -12.004 1.00 0.00 C ATOM 275 C ASN A 22 0.177 16.869 -13.197 1.00 0.00 C ATOM 276 O ASN A 22 0.660 16.248 -14.144 1.00 0.00 O ATOM 277 CB ASN A 22 1.786 18.570 -12.315 1.00 0.00 C ATOM 278 CG ASN A 22 0.868 19.775 -12.316 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.470 20.266 -13.373 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.525 20.261 -11.128 1.00 0.00 N ATOM 0 H ASN A 22 2.705 16.041 -12.341 1.00 0.00 H new ATOM 0 HA ASN A 22 0.378 17.435 -11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.575 18.717 -11.578 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.270 18.484 -13.288 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.091 21.072 -11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.878 19.823 -10.277 1.00 0.00 H new ATOM 287 N THR A 23 -1.103 17.231 -13.143 1.00 0.00 N ATOM 288 CA THR A 23 -2.036 16.912 -14.218 1.00 0.00 C ATOM 289 C THR A 23 -3.095 18.001 -14.368 1.00 0.00 C ATOM 290 O THR A 23 -3.486 18.641 -13.394 1.00 0.00 O ATOM 291 CB THR A 23 -2.740 15.566 -13.973 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.890 15.756 -13.138 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.790 14.573 -13.320 1.00 0.00 C ATOM 0 H THR A 23 -1.517 17.746 -12.365 1.00 0.00 H new ATOM 0 HA THR A 23 -1.449 16.846 -15.134 1.00 0.00 H new ATOM 0 HB THR A 23 -3.056 15.165 -14.936 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.697 15.496 -13.629 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.308 13.628 -13.156 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.932 14.408 -13.972 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.449 14.971 -12.364 1.00 0.00 H new ATOM 301 N PRO A 24 -3.578 18.214 -15.599 1.00 0.00 N ATOM 302 CA PRO A 24 -4.598 19.221 -15.892 1.00 0.00 C ATOM 303 C PRO A 24 -5.757 19.163 -14.904 1.00 0.00 C ATOM 304 O PRO A 24 -6.471 18.164 -14.829 1.00 0.00 O ATOM 305 CB PRO A 24 -5.077 18.862 -17.309 1.00 0.00 C ATOM 306 CG PRO A 24 -4.409 17.567 -17.654 1.00 0.00 C ATOM 307 CD PRO A 24 -3.175 17.489 -16.803 1.00 0.00 C ATOM 0 HA PRO A 24 -4.203 20.234 -15.815 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.162 18.762 -17.341 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.808 19.642 -18.021 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.071 16.724 -17.457 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.154 17.531 -18.713 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.898 16.458 -16.583 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.317 17.953 -17.289 1.00 0.00 H new ATOM 315 N GLY A 25 -5.934 20.238 -14.143 1.00 0.00 N ATOM 316 CA GLY A 25 -7.004 20.281 -13.165 1.00 0.00 C ATOM 317 C GLY A 25 -7.020 19.047 -12.287 1.00 0.00 C ATOM 318 O GLY A 25 -8.072 18.452 -12.054 1.00 0.00 O ATOM 0 H GLY A 25 -5.357 21.078 -14.186 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.890 21.168 -12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.961 20.373 -13.678 1.00 0.00 H new ATOM 322 N ASP A 26 -5.845 18.660 -11.807 1.00 0.00 N ATOM 323 CA ASP A 26 -5.712 17.486 -10.956 1.00 0.00 C ATOM 324 C ASP A 26 -4.243 17.123 -10.774 1.00 0.00 C ATOM 325 O ASP A 26 -3.357 17.909 -11.111 1.00 0.00 O ATOM 326 CB ASP A 26 -6.469 16.307 -11.560 1.00 0.00 C ATOM 327 CG ASP A 26 -7.553 15.781 -10.640 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.239 15.464 -9.473 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.717 15.688 -11.085 1.00 0.00 O ATOM 0 H ASP A 26 -4.967 19.145 -11.994 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.139 17.718 -9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.916 16.613 -12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.766 15.505 -11.784 1.00 0.00 H new ATOM 334 N PHE A 27 -3.987 15.935 -10.241 1.00 0.00 N ATOM 335 CA PHE A 27 -2.617 15.489 -10.020 1.00 0.00 C ATOM 336 C PHE A 27 -2.565 14.013 -9.641 1.00 0.00 C ATOM 337 O PHE A 27 -3.597 13.362 -9.482 1.00 0.00 O ATOM 338 CB PHE A 27 -1.969 16.335 -8.925 1.00 0.00 C ATOM 339 CG PHE A 27 -2.234 15.833 -7.536 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.428 16.121 -6.899 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.288 15.073 -6.869 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.675 15.662 -5.620 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.528 14.611 -5.590 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.724 14.904 -4.964 1.00 0.00 C ATOM 0 H PHE A 27 -4.704 15.267 -9.956 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.065 15.613 -10.952 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.892 16.365 -9.091 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.333 17.359 -9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.176 16.712 -7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.352 14.839 -7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.610 15.895 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.781 14.021 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.915 14.542 -3.965 1.00 0.00 H new ATOM 354 N GLU A 28 -1.349 13.495 -9.496 1.00 0.00 N ATOM 355 CA GLU A 28 -1.146 12.099 -9.132 1.00 0.00 C ATOM 356 C GLU A 28 0.079 11.955 -8.230 1.00 0.00 C ATOM 357 O GLU A 28 0.364 12.835 -7.419 1.00 0.00 O ATOM 358 CB GLU A 28 -0.982 11.241 -10.389 1.00 0.00 C ATOM 359 CG GLU A 28 -1.519 11.891 -11.644 1.00 0.00 C ATOM 360 CD GLU A 28 -3.025 11.765 -11.772 1.00 0.00 C ATOM 361 OE1 GLU A 28 -3.679 11.413 -10.767 1.00 0.00 O ATOM 362 OE2 GLU A 28 -3.551 12.016 -12.877 1.00 0.00 O ATOM 0 H GLU A 28 -0.487 14.025 -9.626 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.023 11.753 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.076 11.018 -10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.491 10.289 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.246 12.946 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.046 11.437 -12.514 1.00 0.00 H new ATOM 369 N CYS A 29 0.799 10.846 -8.373 1.00 0.00 N ATOM 370 CA CYS A 29 1.987 10.607 -7.562 1.00 0.00 C ATOM 371 C CYS A 29 2.861 9.513 -8.167 1.00 0.00 C ATOM 372 O CYS A 29 2.376 8.641 -8.888 1.00 0.00 O ATOM 373 CB CYS A 29 1.587 10.220 -6.139 1.00 0.00 C ATOM 374 SG CYS A 29 1.686 11.589 -4.941 1.00 0.00 S ATOM 0 H CYS A 29 0.582 10.104 -9.038 1.00 0.00 H new ATOM 0 HA CYS A 29 2.564 11.531 -7.537 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.567 9.835 -6.152 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.230 9.408 -5.800 1.00 0.00 H new ATOM 379 N LYS A 30 4.152 9.566 -7.857 1.00 0.00 N ATOM 380 CA LYS A 30 5.104 8.580 -8.355 1.00 0.00 C ATOM 381 C LYS A 30 5.503 7.621 -7.239 1.00 0.00 C ATOM 382 O LYS A 30 6.645 7.631 -6.777 1.00 0.00 O ATOM 383 CB LYS A 30 6.344 9.277 -8.916 1.00 0.00 C ATOM 384 CG LYS A 30 7.163 8.404 -9.853 1.00 0.00 C ATOM 385 CD LYS A 30 7.120 6.943 -9.436 1.00 0.00 C ATOM 386 CE LYS A 30 7.788 6.048 -10.469 1.00 0.00 C ATOM 387 NZ LYS A 30 8.261 4.769 -9.872 1.00 0.00 N ATOM 0 H LYS A 30 4.564 10.284 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 30 4.629 8.011 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.035 10.176 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.976 9.598 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.783 8.504 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.197 8.750 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.618 6.824 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.084 6.633 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.085 5.835 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.632 6.575 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.301 4.763 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.887 4.678 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.926 3.972 -10.449 1.00 0.00 H new ATOM 401 N CYS A 31 4.551 6.807 -6.802 1.00 0.00 N ATOM 402 CA CYS A 31 4.792 5.850 -5.729 1.00 0.00 C ATOM 403 C CYS A 31 6.107 5.105 -5.930 1.00 0.00 C ATOM 404 O CYS A 31 6.791 5.289 -6.937 1.00 0.00 O ATOM 405 CB CYS A 31 3.633 4.855 -5.630 1.00 0.00 C ATOM 406 SG CYS A 31 2.723 4.941 -4.055 1.00 0.00 S ATOM 0 H CYS A 31 3.602 6.790 -7.175 1.00 0.00 H new ATOM 0 HA CYS A 31 4.862 6.410 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.939 5.037 -6.450 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.022 3.845 -5.760 1.00 0.00 H new ATOM 411 N ASP A 32 6.457 4.269 -4.957 1.00 0.00 N ATOM 412 CA ASP A 32 7.693 3.497 -5.010 1.00 0.00 C ATOM 413 C ASP A 32 7.598 2.367 -6.031 1.00 0.00 C ATOM 414 O ASP A 32 7.881 2.563 -7.213 1.00 0.00 O ATOM 415 CB ASP A 32 8.017 2.928 -3.627 1.00 0.00 C ATOM 416 CG ASP A 32 9.160 1.932 -3.664 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.273 2.322 -4.074 1.00 0.00 O ATOM 418 OD2 ASP A 32 8.941 0.763 -3.284 1.00 0.00 O ATOM 0 H ASP A 32 5.899 4.109 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 32 8.495 4.167 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.272 3.745 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.130 2.443 -3.220 1.00 0.00 H new ATOM 423 N GLU A 33 7.204 1.182 -5.569 1.00 0.00 N ATOM 424 CA GLU A 33 7.084 0.025 -6.450 1.00 0.00 C ATOM 425 C GLU A 33 5.873 -0.828 -6.084 1.00 0.00 C ATOM 426 O GLU A 33 5.170 -1.330 -6.961 1.00 0.00 O ATOM 427 CB GLU A 33 8.355 -0.822 -6.383 1.00 0.00 C ATOM 428 CG GLU A 33 9.632 -0.014 -6.538 1.00 0.00 C ATOM 429 CD GLU A 33 10.839 -0.707 -5.934 1.00 0.00 C ATOM 430 OE1 GLU A 33 11.373 -1.635 -6.577 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.248 -0.321 -4.819 1.00 0.00 O ATOM 0 H GLU A 33 6.964 0.999 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 33 6.947 0.392 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.381 -1.348 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.318 -1.581 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.815 0.169 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.502 0.959 -6.064 1.00 0.00 H new ATOM 438 N GLY A 34 5.635 -0.988 -4.788 1.00 0.00 N ATOM 439 CA GLY A 34 4.509 -1.781 -4.337 1.00 0.00 C ATOM 440 C GLY A 34 3.571 -0.985 -3.458 1.00 0.00 C ATOM 441 O GLY A 34 2.720 -1.550 -2.774 1.00 0.00 O ATOM 0 H GLY A 34 6.201 -0.583 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.963 -2.159 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.874 -2.648 -3.786 1.00 0.00 H new ATOM 445 N TYR A 35 3.736 0.332 -3.478 1.00 0.00 N ATOM 446 CA TYR A 35 2.907 1.225 -2.680 1.00 0.00 C ATOM 447 C TYR A 35 1.737 1.754 -3.499 1.00 0.00 C ATOM 448 O TYR A 35 1.757 1.711 -4.728 1.00 0.00 O ATOM 449 CB TYR A 35 3.748 2.391 -2.161 1.00 0.00 C ATOM 450 CG TYR A 35 4.699 2.014 -1.046 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.222 0.730 -0.951 1.00 0.00 C ATOM 452 CD2 TYR A 35 5.076 2.947 -0.088 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.092 0.387 0.066 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.947 2.612 0.932 1.00 0.00 C ATOM 455 CZ TYR A 35 6.450 1.331 1.005 1.00 0.00 C ATOM 456 OH TYR A 35 7.317 0.993 2.019 1.00 0.00 O ATOM 0 H TYR A 35 4.441 0.807 -4.042 1.00 0.00 H new ATOM 0 HA TYR A 35 2.509 0.662 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.322 2.809 -2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.081 3.177 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.944 -0.012 -1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.682 3.951 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.490 -0.615 0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.232 3.350 1.667 1.00 0.00 H new ATOM 0 HH TYR A 35 7.467 1.772 2.594 1.00 0.00 H new ATOM 466 N GLU A 36 0.714 2.250 -2.811 1.00 0.00 N ATOM 467 CA GLU A 36 -0.465 2.784 -3.481 1.00 0.00 C ATOM 468 C GLU A 36 -0.652 4.264 -3.164 1.00 0.00 C ATOM 469 O GLU A 36 -0.606 4.673 -2.004 1.00 0.00 O ATOM 470 CB GLU A 36 -1.712 1.991 -3.075 1.00 0.00 C ATOM 471 CG GLU A 36 -2.467 2.585 -1.896 1.00 0.00 C ATOM 472 CD GLU A 36 -3.795 1.897 -1.647 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.736 2.118 -2.438 1.00 0.00 O ATOM 474 OE2 GLU A 36 -3.893 1.137 -0.660 1.00 0.00 O ATOM 0 H GLU A 36 0.678 2.293 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.318 2.684 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.385 1.929 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.417 0.971 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.850 2.511 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.640 3.646 -2.077 1.00 0.00 H new ATOM 481 N SER A 37 -0.866 5.060 -4.205 1.00 0.00 N ATOM 482 CA SER A 37 -1.063 6.490 -4.045 1.00 0.00 C ATOM 483 C SER A 37 -2.539 6.810 -3.845 1.00 0.00 C ATOM 484 O SER A 37 -3.319 6.814 -4.797 1.00 0.00 O ATOM 485 CB SER A 37 -0.527 7.240 -5.264 1.00 0.00 C ATOM 486 OG SER A 37 0.462 8.183 -4.889 1.00 0.00 O ATOM 0 H SER A 37 -0.907 4.735 -5.171 1.00 0.00 H new ATOM 0 HA SER A 37 -0.514 6.813 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.105 6.530 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.347 7.750 -5.770 1.00 0.00 H new ATOM 0 HG SER A 37 1.317 7.724 -4.754 1.00 0.00 H new ATOM 492 N GLY A 38 -2.916 7.077 -2.601 1.00 0.00 N ATOM 493 CA GLY A 38 -4.296 7.394 -2.297 1.00 0.00 C ATOM 494 C GLY A 38 -5.066 6.203 -1.761 1.00 0.00 C ATOM 495 O GLY A 38 -6.012 5.730 -2.392 1.00 0.00 O ATOM 0 H GLY A 38 -2.289 7.079 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.326 8.200 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.787 7.763 -3.198 1.00 0.00 H new ATOM 499 N PHE A 39 -4.663 5.723 -0.592 1.00 0.00 N ATOM 500 CA PHE A 39 -5.321 4.583 0.039 1.00 0.00 C ATOM 501 C PHE A 39 -6.555 5.035 0.818 1.00 0.00 C ATOM 502 O PHE A 39 -7.369 4.216 1.244 1.00 0.00 O ATOM 503 CB PHE A 39 -4.340 3.858 0.968 1.00 0.00 C ATOM 504 CG PHE A 39 -5.001 3.124 2.103 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.821 2.034 1.859 1.00 0.00 C ATOM 506 CD2 PHE A 39 -4.803 3.530 3.413 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.431 1.362 2.900 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.411 2.862 4.459 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.226 1.776 4.202 1.00 0.00 C ATOM 0 H PHE A 39 -3.882 6.105 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.644 3.894 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.756 3.149 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.639 4.585 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.985 1.706 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.166 4.378 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.068 0.514 2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.249 3.188 5.476 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.702 1.252 5.018 1.00 0.00 H new ATOM 519 N MET A 40 -6.681 6.344 0.994 1.00 0.00 N ATOM 520 CA MET A 40 -7.807 6.925 1.713 1.00 0.00 C ATOM 521 C MET A 40 -7.634 8.435 1.822 1.00 0.00 C ATOM 522 O MET A 40 -8.609 9.186 1.818 1.00 0.00 O ATOM 523 CB MET A 40 -7.939 6.299 3.106 1.00 0.00 C ATOM 524 CG MET A 40 -6.906 6.798 4.099 1.00 0.00 C ATOM 525 SD MET A 40 -7.541 6.868 5.786 1.00 0.00 S ATOM 526 CE MET A 40 -8.986 7.901 5.561 1.00 0.00 C ATOM 0 H MET A 40 -6.010 7.029 0.645 1.00 0.00 H new ATOM 0 HA MET A 40 -8.721 6.715 1.157 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.935 6.508 3.496 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.852 5.216 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.034 6.144 4.070 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.570 7.791 3.800 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.015 8.661 6.342 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.939 8.384 4.585 1.00 0.00 H new ATOM 0 HE3 MET A 40 -9.885 7.287 5.619 1.00 0.00 H new ATOM 536 N MET A 41 -6.379 8.870 1.900 1.00 0.00 N ATOM 537 CA MET A 41 -6.064 10.291 1.989 1.00 0.00 C ATOM 538 C MET A 41 -6.059 10.914 0.598 1.00 0.00 C ATOM 539 O MET A 41 -6.179 12.130 0.456 1.00 0.00 O ATOM 540 CB MET A 41 -4.700 10.495 2.651 1.00 0.00 C ATOM 541 CG MET A 41 -4.422 9.530 3.792 1.00 0.00 C ATOM 542 SD MET A 41 -4.963 10.169 5.389 1.00 0.00 S ATOM 543 CE MET A 41 -6.732 10.277 5.132 1.00 0.00 C ATOM 0 H MET A 41 -5.564 8.257 1.903 1.00 0.00 H new ATOM 0 HA MET A 41 -6.827 10.777 2.597 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.921 10.386 1.897 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.638 11.516 3.028 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.926 8.584 3.594 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.353 9.319 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.248 10.112 6.078 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.984 11.266 4.749 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.042 9.519 4.412 1.00 0.00 H new ATOM 553 N MET A 42 -5.911 10.053 -0.414 1.00 0.00 N ATOM 554 CA MET A 42 -5.877 10.459 -1.820 1.00 0.00 C ATOM 555 C MET A 42 -4.453 10.411 -2.358 1.00 0.00 C ATOM 556 O MET A 42 -4.239 10.325 -3.566 1.00 0.00 O ATOM 557 CB MET A 42 -6.468 11.857 -2.023 1.00 0.00 C ATOM 558 CG MET A 42 -7.873 12.013 -1.464 1.00 0.00 C ATOM 559 SD MET A 42 -9.059 12.555 -2.711 1.00 0.00 S ATOM 560 CE MET A 42 -10.554 11.766 -2.121 1.00 0.00 C ATOM 0 H MET A 42 -5.811 9.047 -0.278 1.00 0.00 H new ATOM 0 HA MET A 42 -6.493 9.752 -2.376 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.815 12.590 -1.550 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.483 12.084 -3.089 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.201 11.062 -1.045 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.857 12.733 -0.646 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.381 12.007 -2.789 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.410 10.686 -2.097 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.783 12.124 -1.117 1.00 0.00 H new ATOM 570 N LYS A 43 -3.483 10.459 -1.451 1.00 0.00 N ATOM 571 CA LYS A 43 -2.076 10.418 -1.829 1.00 0.00 C ATOM 572 C LYS A 43 -1.191 10.274 -0.596 1.00 0.00 C ATOM 573 O LYS A 43 -0.925 11.248 0.107 1.00 0.00 O ATOM 574 CB LYS A 43 -1.695 11.687 -2.594 1.00 0.00 C ATOM 575 CG LYS A 43 -1.985 11.623 -4.086 1.00 0.00 C ATOM 576 CD LYS A 43 -1.697 10.248 -4.663 1.00 0.00 C ATOM 577 CE LYS A 43 -1.783 10.254 -6.181 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.186 10.115 -6.658 1.00 0.00 N ATOM 0 H LYS A 43 -3.647 10.527 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.922 9.552 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.234 12.532 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.632 11.880 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.029 11.879 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.381 12.368 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.703 9.923 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.407 9.526 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.359 11.182 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.181 9.439 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.256 9.297 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.817 9.974 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.466 10.977 -7.168 1.00 0.00 H new ATOM 592 N ASN A 44 -0.737 9.053 -0.341 1.00 0.00 N ATOM 593 CA ASN A 44 0.118 8.779 0.804 1.00 0.00 C ATOM 594 C ASN A 44 0.905 7.487 0.604 1.00 0.00 C ATOM 595 O ASN A 44 1.179 6.771 1.567 1.00 0.00 O ATOM 596 CB ASN A 44 -0.719 8.688 2.082 1.00 0.00 C ATOM 597 CG ASN A 44 -1.369 7.329 2.251 1.00 0.00 C ATOM 598 OD1 ASN A 44 -1.358 6.753 3.339 1.00 0.00 O ATOM 599 ND2 ASN A 44 -1.941 6.808 1.171 1.00 0.00 N ATOM 0 H ASN A 44 -0.948 8.236 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 44 0.827 9.601 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.085 8.894 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.491 9.457 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.394 5.896 1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.927 7.320 0.289 1.00 0.00 H new ATOM 606 N CYS A 45 1.268 7.216 -0.654 1.00 0.00 N ATOM 607 CA CYS A 45 2.037 6.022 -1.030 1.00 0.00 C ATOM 608 C CYS A 45 2.168 5.028 0.121 1.00 0.00 C ATOM 609 O CYS A 45 2.912 5.265 1.073 1.00 0.00 O ATOM 610 CB CYS A 45 3.423 6.432 -1.508 1.00 0.00 C ATOM 611 SG CYS A 45 4.182 5.271 -2.684 1.00 0.00 S ATOM 0 H CYS A 45 1.037 7.819 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 45 1.492 5.525 -1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.357 7.414 -1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.078 6.534 -0.643 1.00 0.00 H new ATOM 616 N MET A 46 1.441 3.919 0.034 1.00 0.00 N ATOM 617 CA MET A 46 1.485 2.904 1.080 1.00 0.00 C ATOM 618 C MET A 46 1.214 1.506 0.526 1.00 0.00 C ATOM 619 O MET A 46 0.089 1.203 0.132 1.00 0.00 O ATOM 620 CB MET A 46 0.466 3.237 2.172 1.00 0.00 C ATOM 621 CG MET A 46 -0.977 3.192 1.695 1.00 0.00 C ATOM 622 SD MET A 46 -1.969 1.983 2.593 1.00 0.00 S ATOM 623 CE MET A 46 -2.130 0.694 1.360 1.00 0.00 C ATOM 0 H MET A 46 0.819 3.701 -0.744 1.00 0.00 H new ATOM 0 HA MET A 46 2.490 2.905 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.589 2.536 2.997 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.679 4.231 2.564 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.424 4.180 1.809 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.997 2.954 0.631 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.160 0.338 1.338 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.863 1.092 0.381 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.465 -0.133 1.609 1.00 0.00 H new ATOM 633 N ASP A 47 2.261 0.670 0.515 1.00 0.00 N ATOM 634 CA ASP A 47 2.185 -0.714 0.030 1.00 0.00 C ATOM 635 C ASP A 47 0.775 -1.105 -0.409 1.00 0.00 C ATOM 636 O ASP A 47 -0.108 -1.332 0.418 1.00 0.00 O ATOM 637 CB ASP A 47 2.675 -1.674 1.114 1.00 0.00 C ATOM 638 CG ASP A 47 1.639 -1.911 2.196 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.533 -1.069 3.113 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.934 -2.941 2.127 1.00 0.00 O ATOM 0 H ASP A 47 3.189 0.937 0.844 1.00 0.00 H new ATOM 0 HA ASP A 47 2.828 -0.782 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.942 -2.627 0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.582 -1.273 1.566 1.00 0.00 H new ATOM 645 N ILE A 48 0.578 -1.179 -1.717 1.00 0.00 N ATOM 646 CA ILE A 48 -0.712 -1.543 -2.283 1.00 0.00 C ATOM 647 C ILE A 48 -1.253 -2.819 -1.652 1.00 0.00 C ATOM 648 O ILE A 48 -0.574 -3.470 -0.859 1.00 0.00 O ATOM 649 CB ILE A 48 -0.605 -1.749 -3.803 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.688 -2.492 -4.136 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.658 -0.412 -4.527 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.488 -3.667 -5.066 1.00 0.00 C ATOM 0 H ILE A 48 1.301 -0.990 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.396 -0.721 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.451 -2.349 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.391 -1.795 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.143 -2.845 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.581 -0.577 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.601 0.086 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.170 0.214 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.448 -4.146 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.190 -4.385 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.062 -3.318 -6.007 1.00 0.00 H new ATOM 664 N ASP A 49 -2.481 -3.175 -2.019 1.00 0.00 N ATOM 665 CA ASP A 49 -3.115 -4.379 -1.498 1.00 0.00 C ATOM 666 C ASP A 49 -2.882 -5.556 -2.437 1.00 0.00 C ATOM 667 O ASP A 49 -3.784 -5.964 -3.168 1.00 0.00 O ATOM 668 CB ASP A 49 -4.615 -4.152 -1.313 1.00 0.00 C ATOM 669 CG ASP A 49 -5.291 -5.308 -0.601 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.757 -6.436 -0.664 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.353 -5.086 0.017 1.00 0.00 O ATOM 0 H ASP A 49 -3.056 -2.646 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.669 -4.609 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.774 -3.236 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.081 -4.007 -2.288 1.00 0.00 H new ATOM 676 N GLU A 50 -1.669 -6.098 -2.415 1.00 0.00 N ATOM 677 CA GLU A 50 -1.327 -7.227 -3.266 1.00 0.00 C ATOM 678 C GLU A 50 -2.348 -8.347 -3.113 1.00 0.00 C ATOM 679 O GLU A 50 -2.492 -9.197 -3.991 1.00 0.00 O ATOM 680 CB GLU A 50 0.065 -7.742 -2.919 1.00 0.00 C ATOM 681 CG GLU A 50 1.189 -6.862 -3.443 1.00 0.00 C ATOM 682 CD GLU A 50 1.524 -5.725 -2.498 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.684 -4.813 -2.345 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.626 -5.745 -1.910 1.00 0.00 O ATOM 0 H GLU A 50 -0.909 -5.773 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.336 -6.890 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.153 -7.823 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.183 -8.747 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.079 -7.471 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.904 -6.453 -4.412 1.00 0.00 H new ATOM 691 N CYS A 51 -3.059 -8.336 -1.991 1.00 0.00 N ATOM 692 CA CYS A 51 -4.075 -9.346 -1.720 1.00 0.00 C ATOM 693 C CYS A 51 -5.340 -9.063 -2.521 1.00 0.00 C ATOM 694 O CYS A 51 -6.255 -9.885 -2.570 1.00 0.00 O ATOM 695 CB CYS A 51 -4.402 -9.381 -0.226 1.00 0.00 C ATOM 696 SG CYS A 51 -2.983 -9.792 0.838 1.00 0.00 S ATOM 0 H CYS A 51 -2.950 -7.639 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.681 -10.317 -2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.795 -8.409 0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.193 -10.111 -0.056 1.00 0.00 H new ATOM 701 N GLN A 52 -5.385 -7.889 -3.143 1.00 0.00 N ATOM 702 CA GLN A 52 -6.535 -7.487 -3.938 1.00 0.00 C ATOM 703 C GLN A 52 -6.139 -7.257 -5.393 1.00 0.00 C ATOM 704 O GLN A 52 -6.972 -7.336 -6.295 1.00 0.00 O ATOM 705 CB GLN A 52 -7.145 -6.212 -3.356 1.00 0.00 C ATOM 706 CG GLN A 52 -8.237 -6.478 -2.337 1.00 0.00 C ATOM 707 CD GLN A 52 -9.315 -5.410 -2.343 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.433 -5.644 -2.802 1.00 0.00 O ATOM 709 NE2 GLN A 52 -8.982 -4.231 -1.832 1.00 0.00 N ATOM 0 H GLN A 52 -4.635 -7.199 -3.110 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.272 -8.289 -3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.357 -5.622 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.554 -5.610 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.691 -7.448 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.794 -6.536 -1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.043 -4.082 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.665 -3.474 -1.809 1.00 0.00 H new ATOM 718 N ARG A 53 -4.860 -6.973 -5.611 1.00 0.00 N ATOM 719 CA ARG A 53 -4.347 -6.731 -6.954 1.00 0.00 C ATOM 720 C ARG A 53 -4.619 -7.923 -7.865 1.00 0.00 C ATOM 721 O ARG A 53 -4.782 -7.769 -9.075 1.00 0.00 O ATOM 722 CB ARG A 53 -2.845 -6.447 -6.904 1.00 0.00 C ATOM 723 CG ARG A 53 -2.202 -6.326 -8.274 1.00 0.00 C ATOM 724 CD ARG A 53 -1.081 -7.336 -8.450 1.00 0.00 C ATOM 725 NE ARG A 53 -0.625 -7.411 -9.836 1.00 0.00 N ATOM 726 CZ ARG A 53 0.237 -6.555 -10.373 1.00 0.00 C ATOM 727 NH1 ARG A 53 0.732 -5.563 -9.644 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.606 -6.688 -11.640 1.00 0.00 N ATOM 0 H ARG A 53 -4.159 -6.905 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.863 -5.861 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.677 -5.523 -6.350 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.351 -7.245 -6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.956 -6.478 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.810 -5.318 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.244 -7.064 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.425 -8.319 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.988 -8.162 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.451 -5.457 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.394 -4.907 -10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.228 -7.449 -12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.268 -6.029 -12.050 1.00 0.00 H new ATOM 742 N ASP A 54 -4.664 -9.114 -7.276 1.00 0.00 N ATOM 743 CA ASP A 54 -4.913 -10.333 -8.035 1.00 0.00 C ATOM 744 C ASP A 54 -6.098 -11.103 -7.461 1.00 0.00 C ATOM 745 O ASP A 54 -6.234 -11.242 -6.246 1.00 0.00 O ATOM 746 CB ASP A 54 -3.667 -11.219 -8.037 1.00 0.00 C ATOM 747 CG ASP A 54 -3.067 -11.369 -9.422 1.00 0.00 C ATOM 748 OD1 ASP A 54 -3.569 -12.209 -10.198 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.096 -10.647 -9.730 1.00 0.00 O ATOM 0 H ASP A 54 -4.531 -9.260 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.152 -10.049 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.921 -10.794 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.924 -12.204 -7.647 1.00 0.00 H new ATOM 754 N PRO A 55 -6.969 -11.616 -8.339 1.00 0.00 N ATOM 755 CA PRO A 55 -8.148 -12.381 -7.937 1.00 0.00 C ATOM 756 C PRO A 55 -7.802 -13.825 -7.593 1.00 0.00 C ATOM 757 O PRO A 55 -8.637 -14.575 -7.089 1.00 0.00 O ATOM 758 CB PRO A 55 -9.033 -12.322 -9.179 1.00 0.00 C ATOM 759 CG PRO A 55 -8.075 -12.228 -10.319 1.00 0.00 C ATOM 760 CD PRO A 55 -6.863 -11.492 -9.803 1.00 0.00 C ATOM 0 HA PRO A 55 -8.620 -11.980 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.661 -13.209 -9.261 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.700 -11.461 -9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.802 -13.220 -10.679 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.523 -11.697 -11.159 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.939 -11.934 -10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.866 -10.448 -10.117 1.00 0.00 H new ATOM 768 N LEU A 56 -6.557 -14.203 -7.867 1.00 0.00 N ATOM 769 CA LEU A 56 -6.083 -15.550 -7.586 1.00 0.00 C ATOM 770 C LEU A 56 -4.922 -15.513 -6.599 1.00 0.00 C ATOM 771 O LEU A 56 -4.419 -16.555 -6.177 1.00 0.00 O ATOM 772 CB LEU A 56 -5.650 -16.241 -8.879 1.00 0.00 C ATOM 773 CG LEU A 56 -6.661 -17.237 -9.450 1.00 0.00 C ATOM 774 CD1 LEU A 56 -6.319 -18.654 -9.014 1.00 0.00 C ATOM 775 CD2 LEU A 56 -8.077 -16.875 -9.022 1.00 0.00 C ATOM 0 H LEU A 56 -5.857 -13.591 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.901 -16.116 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.450 -15.478 -9.631 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.711 -16.764 -8.697 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.610 -17.188 -10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.049 -19.349 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.324 -18.915 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.339 -18.715 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.779 -17.597 -9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.144 -16.891 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.323 -15.877 -9.386 1.00 0.00 H new ATOM 787 N LEU A 57 -4.502 -14.306 -6.231 1.00 0.00 N ATOM 788 CA LEU A 57 -3.404 -14.133 -5.292 1.00 0.00 C ATOM 789 C LEU A 57 -3.654 -14.917 -4.012 1.00 0.00 C ATOM 790 O LEU A 57 -4.662 -14.717 -3.335 1.00 0.00 O ATOM 791 CB LEU A 57 -3.213 -12.651 -4.972 1.00 0.00 C ATOM 792 CG LEU A 57 -1.813 -12.270 -4.496 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.284 -11.088 -5.293 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.829 -11.952 -3.010 1.00 0.00 C ATOM 0 H LEU A 57 -4.908 -13.434 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.495 -14.517 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.449 -12.069 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.932 -12.365 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.147 -13.117 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.285 -10.829 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.239 -11.352 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.948 -10.234 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.824 -11.682 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.507 -11.119 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.168 -12.827 -2.454 1.00 0.00 H new ATOM 806 N CYS A 58 -2.729 -15.811 -3.688 1.00 0.00 N ATOM 807 CA CYS A 58 -2.847 -16.629 -2.491 1.00 0.00 C ATOM 808 C CYS A 58 -4.231 -17.262 -2.411 1.00 0.00 C ATOM 809 O CYS A 58 -4.709 -17.608 -1.331 1.00 0.00 O ATOM 810 CB CYS A 58 -2.569 -15.784 -1.247 1.00 0.00 C ATOM 811 SG CYS A 58 -0.883 -15.097 -1.195 1.00 0.00 S ATOM 0 H CYS A 58 -1.889 -15.987 -4.239 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.109 -17.429 -2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.287 -14.965 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.731 -16.395 -0.359 1.00 0.00 H new ATOM 816 N ARG A 59 -4.865 -17.414 -3.571 1.00 0.00 N ATOM 817 CA ARG A 59 -6.193 -18.011 -3.653 1.00 0.00 C ATOM 818 C ARG A 59 -6.147 -19.474 -3.228 1.00 0.00 C ATOM 819 O ARG A 59 -6.449 -20.372 -4.013 1.00 0.00 O ATOM 820 CB ARG A 59 -6.736 -17.896 -5.079 1.00 0.00 C ATOM 821 CG ARG A 59 -8.252 -17.876 -5.156 1.00 0.00 C ATOM 822 CD ARG A 59 -8.798 -19.168 -5.742 1.00 0.00 C ATOM 823 NE ARG A 59 -10.212 -19.355 -5.432 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.825 -20.533 -5.469 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.149 -21.624 -5.802 1.00 0.00 N ATOM 826 NH2 ARG A 59 -12.115 -20.622 -5.174 1.00 0.00 N ATOM 0 H ARG A 59 -4.477 -17.130 -4.471 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.857 -17.472 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.346 -16.986 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.362 -18.733 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.666 -17.724 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.575 -17.033 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.662 -19.161 -6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.227 -20.012 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.760 -18.535 -5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.157 -21.559 -6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.621 -22.528 -5.830 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.639 -19.785 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.584 -21.528 -5.203 1.00 0.00 H new ATOM 840 N GLY A 60 -5.758 -19.702 -1.980 1.00 0.00 N ATOM 841 CA GLY A 60 -5.666 -21.052 -1.460 1.00 0.00 C ATOM 842 C GLY A 60 -4.593 -21.176 -0.398 1.00 0.00 C ATOM 843 O GLY A 60 -4.574 -22.138 0.371 1.00 0.00 O ATOM 0 H GLY A 60 -5.503 -18.971 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.628 -21.346 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.450 -21.742 -2.276 1.00 0.00 H new ATOM 847 N GLY A 61 -3.701 -20.192 -0.356 1.00 0.00 N ATOM 848 CA GLY A 61 -2.629 -20.196 0.620 1.00 0.00 C ATOM 849 C GLY A 61 -2.768 -19.073 1.630 1.00 0.00 C ATOM 850 O GLY A 61 -3.800 -18.949 2.290 1.00 0.00 O ATOM 0 H GLY A 61 -3.702 -19.388 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.619 -21.153 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.672 -20.104 0.106 1.00 0.00 H new ATOM 854 N VAL A 62 -1.730 -18.251 1.748 1.00 0.00 N ATOM 855 CA VAL A 62 -1.744 -17.131 2.680 1.00 0.00 C ATOM 856 C VAL A 62 -1.179 -15.874 2.030 1.00 0.00 C ATOM 857 O VAL A 62 -0.128 -15.914 1.390 1.00 0.00 O ATOM 858 CB VAL A 62 -0.936 -17.445 3.953 1.00 0.00 C ATOM 859 CG1 VAL A 62 -0.803 -16.202 4.819 1.00 0.00 C ATOM 860 CG2 VAL A 62 -1.584 -18.580 4.732 1.00 0.00 C ATOM 0 H VAL A 62 -0.869 -18.340 1.209 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.785 -16.961 2.956 1.00 0.00 H new ATOM 0 HB VAL A 62 0.064 -17.764 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.229 -16.442 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.290 -15.421 4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.794 -15.851 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.999 -18.787 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.596 -18.294 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.622 -19.474 4.109 1.00 0.00 H new ATOM 870 N CYS A 63 -1.883 -14.760 2.193 1.00 0.00 N ATOM 871 CA CYS A 63 -1.448 -13.494 1.615 1.00 0.00 C ATOM 872 C CYS A 63 -0.868 -12.573 2.683 1.00 0.00 C ATOM 873 O CYS A 63 -1.599 -11.839 3.349 1.00 0.00 O ATOM 874 CB CYS A 63 -2.615 -12.802 0.910 1.00 0.00 C ATOM 875 SG CYS A 63 -2.120 -11.370 -0.102 1.00 0.00 S ATOM 0 H CYS A 63 -2.755 -14.707 2.719 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.667 -13.710 0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.123 -13.526 0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.336 -12.474 1.659 1.00 0.00 H new ATOM 880 N HIS A 64 0.451 -12.612 2.835 1.00 0.00 N ATOM 881 CA HIS A 64 1.132 -11.778 3.817 1.00 0.00 C ATOM 882 C HIS A 64 1.527 -10.437 3.208 1.00 0.00 C ATOM 883 O HIS A 64 2.707 -10.090 3.163 1.00 0.00 O ATOM 884 CB HIS A 64 2.379 -12.486 4.351 1.00 0.00 C ATOM 885 CG HIS A 64 2.102 -13.839 4.923 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.493 -15.008 4.309 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.472 -14.208 6.064 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.117 -16.038 5.044 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.496 -15.580 6.115 1.00 0.00 N ATOM 0 H HIS A 64 1.070 -13.213 2.290 1.00 0.00 H new ATOM 0 HA HIS A 64 0.441 -11.601 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.104 -12.584 3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.839 -11.864 5.119 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.995 -15.069 3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.033 -13.547 6.796 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.288 -17.078 4.809 1.00 0.00 H new ATOM 898 N ASN A 65 0.536 -9.686 2.741 1.00 0.00 N ATOM 899 CA ASN A 65 0.788 -8.383 2.138 1.00 0.00 C ATOM 900 C ASN A 65 1.721 -7.557 3.018 1.00 0.00 C ATOM 901 O ASN A 65 1.337 -7.112 4.101 1.00 0.00 O ATOM 902 CB ASN A 65 -0.525 -7.631 1.915 1.00 0.00 C ATOM 903 CG ASN A 65 -0.302 -6.202 1.461 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.469 -5.459 2.068 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.979 -5.809 0.389 1.00 0.00 N ATOM 0 H ASN A 65 -0.447 -9.956 2.768 1.00 0.00 H new ATOM 0 HA ASN A 65 1.268 -8.542 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.120 -8.158 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.102 -7.630 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.870 -4.858 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.608 -6.458 -0.084 1.00 0.00 H new ATOM 912 N THR A 66 2.948 -7.359 2.548 1.00 0.00 N ATOM 913 CA THR A 66 3.939 -6.592 3.291 1.00 0.00 C ATOM 914 C THR A 66 4.200 -5.245 2.625 1.00 0.00 C ATOM 915 O THR A 66 3.634 -4.940 1.575 1.00 0.00 O ATOM 916 CB THR A 66 5.271 -7.362 3.424 1.00 0.00 C ATOM 917 OG1 THR A 66 6.375 -6.485 3.173 1.00 0.00 O ATOM 918 CG2 THR A 66 5.324 -8.539 2.458 1.00 0.00 C ATOM 0 H THR A 66 3.280 -7.720 1.654 1.00 0.00 H new ATOM 0 HA THR A 66 3.530 -6.428 4.288 1.00 0.00 H new ATOM 0 HB THR A 66 5.336 -7.747 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.215 -6.983 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.273 -9.062 2.574 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.503 -9.223 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.234 -8.174 1.435 1.00 0.00 H new ATOM 926 N GLU A 67 5.061 -4.442 3.243 1.00 0.00 N ATOM 927 CA GLU A 67 5.395 -3.127 2.711 1.00 0.00 C ATOM 928 C GLU A 67 6.264 -3.243 1.463 1.00 0.00 C ATOM 929 O GLU A 67 7.349 -3.823 1.500 1.00 0.00 O ATOM 930 CB GLU A 67 6.117 -2.294 3.771 1.00 0.00 C ATOM 931 CG GLU A 67 5.299 -1.121 4.285 1.00 0.00 C ATOM 932 CD GLU A 67 5.610 -0.780 5.730 1.00 0.00 C ATOM 933 OE1 GLU A 67 6.242 -1.613 6.413 1.00 0.00 O ATOM 934 OE2 GLU A 67 5.223 0.319 6.177 1.00 0.00 O ATOM 0 H GLU A 67 5.539 -4.680 4.112 1.00 0.00 H new ATOM 0 HA GLU A 67 4.464 -2.630 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.380 -2.938 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.051 -1.919 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.490 -0.248 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.238 -1.354 4.191 1.00 0.00 H new ATOM 941 N GLY A 68 5.780 -2.682 0.358 1.00 0.00 N ATOM 942 CA GLY A 68 6.524 -2.727 -0.887 1.00 0.00 C ATOM 943 C GLY A 68 6.618 -4.127 -1.461 1.00 0.00 C ATOM 944 O GLY A 68 7.614 -4.478 -2.093 1.00 0.00 O ATOM 0 H GLY A 68 4.885 -2.197 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.046 -2.071 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.529 -2.339 -0.720 1.00 0.00 H new ATOM 948 N SER A 69 5.578 -4.926 -1.244 1.00 0.00 N ATOM 949 CA SER A 69 5.546 -6.295 -1.746 1.00 0.00 C ATOM 950 C SER A 69 4.562 -7.143 -0.947 1.00 0.00 C ATOM 951 O SER A 69 3.940 -6.665 0.001 1.00 0.00 O ATOM 952 CB SER A 69 6.942 -6.919 -1.682 1.00 0.00 C ATOM 953 OG SER A 69 6.874 -8.331 -1.777 1.00 0.00 O ATOM 0 H SER A 69 4.746 -4.649 -0.724 1.00 0.00 H new ATOM 0 HA SER A 69 5.216 -6.266 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.557 -6.526 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.427 -6.637 -0.748 1.00 0.00 H new ATOM 0 HG SER A 69 7.779 -8.706 -1.735 1.00 0.00 H new ATOM 959 N TYR A 70 4.429 -8.407 -1.337 1.00 0.00 N ATOM 960 CA TYR A 70 3.521 -9.322 -0.656 1.00 0.00 C ATOM 961 C TYR A 70 4.074 -10.742 -0.674 1.00 0.00 C ATOM 962 O TYR A 70 4.693 -11.165 -1.651 1.00 0.00 O ATOM 963 CB TYR A 70 2.131 -9.257 -1.296 1.00 0.00 C ATOM 964 CG TYR A 70 1.849 -10.339 -2.315 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.229 -10.185 -3.641 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.191 -11.508 -1.953 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.963 -11.166 -4.579 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.923 -12.494 -2.883 1.00 0.00 C ATOM 969 CZ TYR A 70 1.310 -12.317 -4.195 1.00 0.00 C ATOM 970 OH TYR A 70 1.043 -13.296 -5.124 1.00 0.00 O ATOM 0 H TYR A 70 4.937 -8.820 -2.119 1.00 0.00 H new ATOM 0 HA TYR A 70 3.430 -9.018 0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.381 -9.316 -0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.013 -8.286 -1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.741 -9.284 -3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.884 -11.648 -0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.265 -11.031 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.413 -13.398 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 70 0.741 -14.108 -4.666 1.00 0.00 H new ATOM 980 N ARG A 71 3.863 -11.468 0.419 1.00 0.00 N ATOM 981 CA ARG A 71 4.360 -12.834 0.532 1.00 0.00 C ATOM 982 C ARG A 71 3.227 -13.851 0.483 1.00 0.00 C ATOM 983 O ARG A 71 2.371 -13.887 1.366 1.00 0.00 O ATOM 984 CB ARG A 71 5.147 -13.011 1.834 1.00 0.00 C ATOM 985 CG ARG A 71 5.719 -11.719 2.395 1.00 0.00 C ATOM 986 CD ARG A 71 7.087 -11.415 1.806 1.00 0.00 C ATOM 987 NE ARG A 71 8.118 -12.308 2.329 1.00 0.00 N ATOM 988 CZ ARG A 71 9.363 -12.346 1.867 1.00 0.00 C ATOM 989 NH1 ARG A 71 9.730 -11.544 0.877 1.00 0.00 N ATOM 990 NH2 ARG A 71 10.243 -13.186 2.395 1.00 0.00 N ATOM 0 H ARG A 71 3.353 -11.134 1.237 1.00 0.00 H new ATOM 0 HA ARG A 71 5.017 -13.011 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.494 -13.462 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.964 -13.712 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.038 -10.895 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.797 -11.795 3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.043 -11.508 0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.356 -10.382 2.027 1.00 0.00 H new ATOM 0 HE ARG A 71 7.868 -12.938 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.056 -10.896 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.686 -11.575 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.964 -13.804 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.198 -13.214 2.039 1.00 0.00 H new ATOM 1004 N CYS A 72 3.245 -14.689 -0.546 1.00 0.00 N ATOM 1005 CA CYS A 72 2.236 -15.727 -0.706 1.00 0.00 C ATOM 1006 C CYS A 72 2.750 -17.036 -0.112 1.00 0.00 C ATOM 1007 O CYS A 72 3.858 -17.473 -0.424 1.00 0.00 O ATOM 1008 CB CYS A 72 1.892 -15.905 -2.189 1.00 0.00 C ATOM 1009 SG CYS A 72 0.131 -16.242 -2.530 1.00 0.00 S ATOM 0 H CYS A 72 3.949 -14.669 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 72 1.329 -15.433 -0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.186 -15.003 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.489 -16.724 -2.590 1.00 0.00 H new ATOM 1014 N GLU A 73 1.955 -17.645 0.762 1.00 0.00 N ATOM 1015 CA GLU A 73 2.357 -18.887 1.415 1.00 0.00 C ATOM 1016 C GLU A 73 1.291 -19.974 1.283 1.00 0.00 C ATOM 1017 O GLU A 73 0.143 -19.781 1.680 1.00 0.00 O ATOM 1018 CB GLU A 73 2.644 -18.613 2.892 1.00 0.00 C ATOM 1019 CG GLU A 73 3.976 -19.163 3.371 1.00 0.00 C ATOM 1020 CD GLU A 73 4.309 -18.734 4.786 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.591 -17.535 4.993 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.288 -19.597 5.689 1.00 0.00 O ATOM 0 H GLU A 73 1.034 -17.302 1.034 1.00 0.00 H new ATOM 0 HA GLU A 73 3.257 -19.252 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.624 -17.537 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.845 -19.046 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.954 -20.252 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.766 -18.829 2.699 1.00 0.00 H new ATOM 1029 N CYS A 74 1.681 -21.115 0.722 1.00 0.00 N ATOM 1030 CA CYS A 74 0.761 -22.230 0.537 1.00 0.00 C ATOM 1031 C CYS A 74 0.517 -22.997 1.844 1.00 0.00 C ATOM 1032 O CYS A 74 -0.567 -23.545 2.047 1.00 0.00 O ATOM 1033 CB CYS A 74 1.279 -23.185 -0.541 1.00 0.00 C ATOM 1034 SG CYS A 74 0.163 -23.379 -1.970 1.00 0.00 S ATOM 0 H CYS A 74 2.629 -21.291 0.388 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.191 -21.809 0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.245 -22.825 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.449 -24.164 -0.092 1.00 0.00 H new ATOM 1039 N PRO A 75 1.526 -23.074 2.746 1.00 0.00 N ATOM 1040 CA PRO A 75 2.845 -22.441 2.563 1.00 0.00 C ATOM 1041 C PRO A 75 3.624 -23.031 1.390 1.00 0.00 C ATOM 1042 O PRO A 75 3.241 -24.055 0.829 1.00 0.00 O ATOM 1043 CB PRO A 75 3.576 -22.740 3.883 1.00 0.00 C ATOM 1044 CG PRO A 75 2.495 -23.091 4.850 1.00 0.00 C ATOM 1045 CD PRO A 75 1.438 -23.769 4.035 1.00 0.00 C ATOM 0 HA PRO A 75 2.749 -21.379 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.283 -23.561 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.145 -21.875 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.868 -23.749 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.102 -22.200 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.629 -24.837 3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.451 -23.664 4.485 1.00 0.00 H new ATOM 1053 N PRO A 76 4.751 -22.394 1.031 1.00 0.00 N ATOM 1054 CA PRO A 76 5.608 -22.849 -0.058 1.00 0.00 C ATOM 1055 C PRO A 76 5.674 -24.366 -0.170 1.00 0.00 C ATOM 1056 O PRO A 76 5.882 -24.901 -1.260 1.00 0.00 O ATOM 1057 CB PRO A 76 6.966 -22.277 0.333 1.00 0.00 C ATOM 1058 CG PRO A 76 6.647 -21.005 1.047 1.00 0.00 C ATOM 1059 CD PRO A 76 5.287 -21.186 1.680 1.00 0.00 C ATOM 0 HA PRO A 76 5.244 -22.525 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.516 -22.965 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.587 -22.094 -0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.400 -20.788 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.641 -20.164 0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.363 -21.313 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.647 -20.321 1.505 1.00 0.00 H new ATOM 1067 N GLY A 77 5.490 -25.059 0.953 1.00 0.00 N ATOM 1068 CA GLY A 77 5.525 -26.511 0.935 1.00 0.00 C ATOM 1069 C GLY A 77 4.914 -27.063 -0.334 1.00 0.00 C ATOM 1070 O GLY A 77 5.324 -28.110 -0.835 1.00 0.00 O ATOM 0 H GLY A 77 5.319 -24.643 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.556 -26.853 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.986 -26.900 1.799 1.00 0.00 H new ATOM 1074 N HIS A 78 3.938 -26.332 -0.860 1.00 0.00 N ATOM 1075 CA HIS A 78 3.259 -26.711 -2.088 1.00 0.00 C ATOM 1076 C HIS A 78 3.960 -26.064 -3.292 1.00 0.00 C ATOM 1077 O HIS A 78 5.180 -26.163 -3.420 1.00 0.00 O ATOM 1078 CB HIS A 78 1.791 -26.291 -2.005 1.00 0.00 C ATOM 1079 CG HIS A 78 0.867 -27.169 -2.790 1.00 0.00 C ATOM 1080 ND1 HIS A 78 1.293 -27.977 -3.822 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.469 -27.365 -2.689 1.00 0.00 C ATOM 1082 CE1 HIS A 78 0.260 -28.630 -4.324 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.821 -28.276 -3.653 1.00 0.00 N ATOM 0 H HIS A 78 3.598 -25.464 -0.447 1.00 0.00 H new ATOM 0 HA HIS A 78 3.300 -27.792 -2.218 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.480 -26.294 -0.960 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.695 -25.266 -2.363 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.134 -26.892 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.294 -29.333 -5.143 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.765 -28.623 -3.824 1.00 0.00 H new ATOM 1092 N GLN A 79 3.205 -25.391 -4.163 1.00 0.00 N ATOM 1093 CA GLN A 79 3.791 -24.731 -5.321 1.00 0.00 C ATOM 1094 C GLN A 79 3.115 -23.385 -5.542 1.00 0.00 C ATOM 1095 O GLN A 79 2.415 -23.180 -6.534 1.00 0.00 O ATOM 1096 CB GLN A 79 3.651 -25.602 -6.570 1.00 0.00 C ATOM 1097 CG GLN A 79 3.916 -27.078 -6.324 1.00 0.00 C ATOM 1098 CD GLN A 79 2.990 -27.975 -7.123 1.00 0.00 C ATOM 1099 OE1 GLN A 79 2.715 -29.109 -6.730 1.00 0.00 O ATOM 1100 NE2 GLN A 79 2.501 -27.470 -8.251 1.00 0.00 N ATOM 0 H GLN A 79 2.193 -25.292 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 79 4.853 -24.574 -5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.644 -25.486 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.342 -25.241 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.950 -27.306 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.798 -27.293 -5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.755 -26.525 -8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.871 -28.027 -8.828 1.00 0.00 H new ATOM 1109 N LEU A 80 3.319 -22.475 -4.597 1.00 0.00 N ATOM 1110 CA LEU A 80 2.722 -21.150 -4.665 1.00 0.00 C ATOM 1111 C LEU A 80 3.622 -20.180 -5.417 1.00 0.00 C ATOM 1112 O LEU A 80 4.512 -19.560 -4.832 1.00 0.00 O ATOM 1113 CB LEU A 80 2.453 -20.629 -3.253 1.00 0.00 C ATOM 1114 CG LEU A 80 1.936 -19.191 -3.163 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.276 -18.762 -4.465 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.962 -19.058 -2.002 1.00 0.00 C ATOM 0 H LEU A 80 3.897 -22.633 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 80 1.780 -21.227 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.727 -21.287 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.376 -20.700 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 80 2.787 -18.532 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.919 -17.737 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.001 -18.821 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.435 -19.421 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.600 -18.031 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.119 -19.732 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.468 -19.315 -1.071 1.00 0.00 H new ATOM 1128 N SER A 81 3.382 -20.051 -6.715 1.00 0.00 N ATOM 1129 CA SER A 81 4.169 -19.153 -7.545 1.00 0.00 C ATOM 1130 C SER A 81 4.393 -17.822 -6.829 1.00 0.00 C ATOM 1131 O SER A 81 3.487 -17.287 -6.191 1.00 0.00 O ATOM 1132 CB SER A 81 3.472 -18.931 -8.885 1.00 0.00 C ATOM 1133 OG SER A 81 4.259 -18.125 -9.741 1.00 0.00 O ATOM 0 H SER A 81 2.650 -20.556 -7.214 1.00 0.00 H new ATOM 0 HA SER A 81 5.142 -19.609 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.279 -19.892 -9.362 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.505 -18.456 -8.721 1.00 0.00 H new ATOM 0 HG SER A 81 4.731 -18.694 -10.384 1.00 0.00 H new ATOM 1139 N PRO A 82 5.618 -17.282 -6.909 1.00 0.00 N ATOM 1140 CA PRO A 82 5.979 -16.023 -6.249 1.00 0.00 C ATOM 1141 C PRO A 82 5.506 -14.781 -6.998 1.00 0.00 C ATOM 1142 O PRO A 82 6.009 -14.464 -8.074 1.00 0.00 O ATOM 1143 CB PRO A 82 7.504 -16.077 -6.226 1.00 0.00 C ATOM 1144 CG PRO A 82 7.869 -16.878 -7.430 1.00 0.00 C ATOM 1145 CD PRO A 82 6.756 -17.875 -7.632 1.00 0.00 C ATOM 0 HA PRO A 82 5.510 -15.939 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.937 -15.078 -6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.871 -16.545 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.979 -16.237 -8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.823 -17.385 -7.285 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.530 -18.013 -8.689 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.018 -18.854 -7.231 1.00 0.00 H new ATOM 1153 N ASN A 83 4.552 -14.072 -6.401 1.00 0.00 N ATOM 1154 CA ASN A 83 4.010 -12.843 -6.979 1.00 0.00 C ATOM 1155 C ASN A 83 3.117 -13.119 -8.184 1.00 0.00 C ATOM 1156 O ASN A 83 2.550 -12.193 -8.765 1.00 0.00 O ATOM 1157 CB ASN A 83 5.142 -11.888 -7.370 1.00 0.00 C ATOM 1158 CG ASN A 83 5.919 -11.388 -6.167 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.147 -11.305 -6.198 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.206 -11.052 -5.097 1.00 0.00 N ATOM 0 H ASN A 83 4.134 -14.330 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 83 3.392 -12.374 -6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.823 -12.396 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.726 -11.037 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.675 -10.710 -4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.190 -11.136 -5.114 1.00 0.00 H new ATOM 1167 N ILE A 84 2.976 -14.387 -8.551 1.00 0.00 N ATOM 1168 CA ILE A 84 2.127 -14.751 -9.679 1.00 0.00 C ATOM 1169 C ILE A 84 0.669 -14.811 -9.239 1.00 0.00 C ATOM 1170 O ILE A 84 -0.245 -14.744 -10.060 1.00 0.00 O ATOM 1171 CB ILE A 84 2.539 -16.102 -10.290 1.00 0.00 C ATOM 1172 CG1 ILE A 84 3.860 -15.961 -11.049 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.448 -16.629 -11.211 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.003 -15.478 -10.187 1.00 0.00 C ATOM 0 H ILE A 84 3.433 -15.173 -8.090 1.00 0.00 H new ATOM 0 HA ILE A 84 2.249 -13.984 -10.444 1.00 0.00 H new ATOM 0 HB ILE A 84 2.678 -16.819 -9.481 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.125 -16.925 -11.483 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.721 -15.266 -11.877 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.758 -17.585 -11.633 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.527 -16.765 -10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.276 -15.915 -12.017 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.907 -15.402 -10.791 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.759 -14.499 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.169 -16.184 -9.373 1.00 0.00 H new ATOM 1186 N SER A 85 0.466 -14.916 -7.928 1.00 0.00 N ATOM 1187 CA SER A 85 -0.874 -14.962 -7.354 1.00 0.00 C ATOM 1188 C SER A 85 -1.628 -16.225 -7.765 1.00 0.00 C ATOM 1189 O SER A 85 -2.406 -16.202 -8.719 1.00 0.00 O ATOM 1190 CB SER A 85 -1.670 -13.723 -7.778 1.00 0.00 C ATOM 1191 OG SER A 85 -0.905 -12.887 -8.628 1.00 0.00 O ATOM 0 H SER A 85 1.218 -14.971 -7.241 1.00 0.00 H new ATOM 0 HA SER A 85 -0.765 -14.977 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.581 -14.031 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.976 -13.164 -6.894 1.00 0.00 H new ATOM 0 HG SER A 85 -0.968 -13.212 -9.550 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.410 -17.319 -7.030 1.00 0.00 N ATOM 1198 CA ALA A 86 -2.091 -18.582 -7.317 1.00 0.00 C ATOM 1199 C ALA A 86 -1.321 -19.789 -6.780 1.00 0.00 C ATOM 1200 O ALA A 86 -0.390 -20.276 -7.423 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.315 -18.738 -8.814 1.00 0.00 C ATOM 0 H ALA A 86 -0.771 -17.355 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.053 -18.548 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.822 -19.683 -9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.929 -17.914 -9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.354 -18.729 -9.329 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.729 -20.282 -5.613 1.00 0.00 N ATOM 1208 CA CYS A 87 -1.092 -21.449 -5.010 1.00 0.00 C ATOM 1209 C CYS A 87 -1.190 -22.646 -5.953 1.00 0.00 C ATOM 1210 O CYS A 87 -2.134 -22.746 -6.736 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.762 -21.782 -3.676 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.688 -21.554 -2.223 1.00 0.00 S ATOM 0 H CYS A 87 -2.497 -19.892 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.041 -21.222 -4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.647 -21.157 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.104 -22.817 -3.702 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.219 -23.554 -5.880 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.226 -24.730 -6.741 1.00 0.00 C ATOM 1219 C ILE A 88 0.512 -25.894 -6.090 1.00 0.00 C ATOM 1220 O ILE A 88 0.661 -26.943 -6.752 1.00 0.00 O ATOM 1221 CB ILE A 88 0.407 -24.430 -8.113 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.285 -22.942 -8.441 1.00 0.00 C ATOM 1223 CG2 ILE A 88 -0.250 -25.273 -9.194 1.00 0.00 C ATOM 1224 CD1 ILE A 88 0.691 -22.600 -9.859 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.934 -25.748 -4.925 1.00 0.00 O ATOM 0 H ILE A 88 0.574 -23.498 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.270 -25.006 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 88 1.465 -24.687 -8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.746 -22.626 -8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.904 -22.373 -7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.208 -25.050 -10.158 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.115 -26.330 -8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.315 -25.045 -9.237 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.579 -21.528 -10.021 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.731 -22.884 -10.018 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.055 -23.141 -10.560 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.807 19.899 -12.161 1.00 0.00 CA HETATM 1239 CA CA A 102 1.625 -4.334 0.036 1.00 0.00 CA