USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 147 HIS HE2 : A 147 HIS NE2 : A 330 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 530 ZNZN :(H bumps) USER MOD Set 1.1: A 140 TYR OH : rot 180:sc= -1.58 USER MOD Set 1.2: A 162 HIS : no HE2:sc= -5.99! C(o=-7.6!,f=-6.1!) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 52:sc= 0.295 USER MOD Single : A 141 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.2!) USER MOD Single : A 148 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -1.02 X(o=-1,f=-0.54) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.75) USER MOD Single : A 166 SER OG : rot 120:sc= -0.182 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 157:sc= 1.52 (180deg=1.19) USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 130 -29.206 -0.732 -0.471 1.00 0.00 N ATOM 2 CA GLY A 130 -28.104 -0.404 0.415 1.00 0.00 C ATOM 3 C GLY A 130 -27.314 0.798 -0.063 1.00 0.00 C ATOM 4 O GLY A 130 -26.412 0.667 -0.891 1.00 0.00 O ATOM 0 HA2 GLY A 130 -28.492 -0.206 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -27.439 -1.264 0.496 1.00 0.00 H new ATOM 8 N SER A 131 -27.654 1.973 0.457 1.00 0.00 N ATOM 9 CA SER A 131 -26.973 3.204 0.074 1.00 0.00 C ATOM 10 C SER A 131 -25.524 3.195 0.552 1.00 0.00 C ATOM 11 O SER A 131 -24.594 3.292 -0.249 1.00 0.00 O ATOM 12 CB SER A 131 -27.705 4.417 0.651 1.00 0.00 C ATOM 13 OG SER A 131 -28.872 4.712 -0.097 1.00 0.00 O ATOM 0 H SER A 131 -28.397 2.098 1.145 1.00 0.00 H new ATOM 0 HA SER A 131 -26.978 3.269 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 131 -27.974 4.223 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 131 -27.041 5.281 0.650 1.00 0.00 H new ATOM 0 HG SER A 131 -29.323 5.490 0.293 1.00 0.00 H new ATOM 19 N SER A 132 -25.341 3.078 1.863 1.00 0.00 N ATOM 20 CA SER A 132 -24.006 3.060 2.450 1.00 0.00 C ATOM 21 C SER A 132 -23.218 1.846 1.969 1.00 0.00 C ATOM 22 O SER A 132 -23.296 0.768 2.558 1.00 0.00 O ATOM 23 CB SER A 132 -24.098 3.051 3.977 1.00 0.00 C ATOM 24 OG SER A 132 -24.182 4.370 4.491 1.00 0.00 O ATOM 0 H SER A 132 -26.100 2.994 2.539 1.00 0.00 H new ATOM 0 HA SER A 132 -23.482 3.961 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 132 -24.972 2.480 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 132 -23.225 2.550 4.394 1.00 0.00 H new ATOM 0 HG SER A 132 -24.242 4.337 5.469 1.00 0.00 H new ATOM 30 N GLY A 133 -22.458 2.029 0.894 1.00 0.00 N ATOM 31 CA GLY A 133 -21.665 0.941 0.351 1.00 0.00 C ATOM 32 C GLY A 133 -21.109 1.258 -1.023 1.00 0.00 C ATOM 33 O GLY A 133 -21.769 1.025 -2.036 1.00 0.00 O ATOM 0 H GLY A 133 -22.377 2.911 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -20.842 0.721 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -22.279 0.042 0.293 1.00 0.00 H new ATOM 37 N SER A 134 -19.893 1.794 -1.059 1.00 0.00 N ATOM 38 CA SER A 134 -19.251 2.149 -2.319 1.00 0.00 C ATOM 39 C SER A 134 -17.802 1.672 -2.343 1.00 0.00 C ATOM 40 O SER A 134 -17.226 1.350 -1.304 1.00 0.00 O ATOM 41 CB SER A 134 -19.306 3.663 -2.535 1.00 0.00 C ATOM 42 OG SER A 134 -20.645 4.114 -2.642 1.00 0.00 O ATOM 0 H SER A 134 -19.333 1.992 -0.230 1.00 0.00 H new ATOM 0 HA SER A 134 -19.791 1.655 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 134 -18.813 4.170 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 134 -18.757 3.925 -3.440 1.00 0.00 H new ATOM 0 HG SER A 134 -20.653 5.084 -2.778 1.00 0.00 H new ATOM 48 N SER A 135 -17.219 1.631 -3.537 1.00 0.00 N ATOM 49 CA SER A 135 -15.838 1.191 -3.699 1.00 0.00 C ATOM 50 C SER A 135 -14.867 2.332 -3.412 1.00 0.00 C ATOM 51 O SER A 135 -14.369 2.984 -4.329 1.00 0.00 O ATOM 52 CB SER A 135 -15.614 0.658 -5.115 1.00 0.00 C ATOM 53 OG SER A 135 -16.050 1.592 -6.087 1.00 0.00 O ATOM 0 H SER A 135 -17.681 1.897 -4.406 1.00 0.00 H new ATOM 0 HA SER A 135 -15.651 0.390 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 135 -14.556 0.442 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 135 -16.152 -0.282 -5.242 1.00 0.00 H new ATOM 0 HG SER A 135 -15.646 2.466 -5.905 1.00 0.00 H new ATOM 59 N GLY A 136 -14.602 2.568 -2.131 1.00 0.00 N ATOM 60 CA GLY A 136 -13.692 3.630 -1.745 1.00 0.00 C ATOM 61 C GLY A 136 -13.888 4.889 -2.566 1.00 0.00 C ATOM 62 O GLY A 136 -13.072 5.206 -3.432 1.00 0.00 O ATOM 0 H GLY A 136 -15.001 2.042 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -13.836 3.862 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -12.665 3.283 -1.858 1.00 0.00 H new ATOM 66 N ASP A 137 -14.973 5.606 -2.297 1.00 0.00 N ATOM 67 CA ASP A 137 -15.274 6.837 -3.019 1.00 0.00 C ATOM 68 C ASP A 137 -14.326 7.957 -2.601 1.00 0.00 C ATOM 69 O ASP A 137 -13.788 8.674 -3.445 1.00 0.00 O ATOM 70 CB ASP A 137 -16.723 7.258 -2.769 1.00 0.00 C ATOM 71 CG ASP A 137 -17.142 8.432 -3.633 1.00 0.00 C ATOM 72 OD1 ASP A 137 -16.658 9.556 -3.382 1.00 0.00 O ATOM 73 OD2 ASP A 137 -17.952 8.226 -4.560 1.00 0.00 O ATOM 0 H ASP A 137 -15.659 5.356 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 137 -15.137 6.648 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -17.383 6.413 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -16.846 7.522 -1.718 1.00 0.00 H new ATOM 78 N ARG A 138 -14.129 8.102 -1.295 1.00 0.00 N ATOM 79 CA ARG A 138 -13.248 9.137 -0.766 1.00 0.00 C ATOM 80 C ARG A 138 -11.894 8.551 -0.377 1.00 0.00 C ATOM 81 O ARG A 138 -11.797 7.388 0.014 1.00 0.00 O ATOM 82 CB ARG A 138 -13.891 9.812 0.447 1.00 0.00 C ATOM 83 CG ARG A 138 -12.884 10.322 1.465 1.00 0.00 C ATOM 84 CD ARG A 138 -13.571 10.816 2.728 1.00 0.00 C ATOM 85 NE ARG A 138 -13.695 9.763 3.732 1.00 0.00 N ATOM 86 CZ ARG A 138 -14.661 9.726 4.643 1.00 0.00 C ATOM 87 NH1 ARG A 138 -15.582 10.679 4.676 1.00 0.00 N ATOM 88 NH2 ARG A 138 -14.707 8.734 5.523 1.00 0.00 N ATOM 0 H ARG A 138 -14.567 7.517 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 138 -13.092 9.881 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -14.504 10.646 0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.560 9.103 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -12.185 9.525 1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -12.300 11.131 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -13.006 11.650 3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -14.561 11.196 2.477 1.00 0.00 H new ATOM 0 HE ARG A 138 -13.002 9.015 3.734 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -15.550 11.443 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -16.323 10.648 5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -14.000 7.999 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -15.449 8.706 6.222 1.00 0.00 H new ATOM 102 N CYS A 139 -10.849 9.365 -0.488 1.00 0.00 N ATOM 103 CA CYS A 139 -9.500 8.929 -0.150 1.00 0.00 C ATOM 104 C CYS A 139 -9.507 8.067 1.109 1.00 0.00 C ATOM 105 O CYS A 139 -9.907 8.519 2.182 1.00 0.00 O ATOM 106 CB CYS A 139 -8.586 10.139 0.053 1.00 0.00 C ATOM 107 SG CYS A 139 -7.064 9.774 0.984 1.00 0.00 S ATOM 0 H CYS A 139 -10.911 10.331 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 139 -9.120 8.330 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.314 10.543 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.142 10.917 0.577 1.00 0.00 H new ATOM 112 N TYR A 140 -9.061 6.823 0.970 1.00 0.00 N ATOM 113 CA TYR A 140 -9.017 5.896 2.094 1.00 0.00 C ATOM 114 C TYR A 140 -7.739 6.085 2.906 1.00 0.00 C ATOM 115 O TYR A 140 -7.103 5.115 3.317 1.00 0.00 O ATOM 116 CB TYR A 140 -9.110 4.453 1.597 1.00 0.00 C ATOM 117 CG TYR A 140 -8.314 4.194 0.338 1.00 0.00 C ATOM 118 CD1 TYR A 140 -6.928 4.114 0.373 1.00 0.00 C ATOM 119 CD2 TYR A 140 -8.948 4.031 -0.888 1.00 0.00 C ATOM 120 CE1 TYR A 140 -6.196 3.878 -0.775 1.00 0.00 C ATOM 121 CE2 TYR A 140 -8.225 3.793 -2.040 1.00 0.00 C ATOM 122 CZ TYR A 140 -6.849 3.718 -1.979 1.00 0.00 C ATOM 123 OH TYR A 140 -6.125 3.483 -3.125 1.00 0.00 O ATOM 0 H TYR A 140 -8.725 6.434 0.089 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.870 6.106 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -8.759 3.784 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.156 4.208 1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -6.413 4.238 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -10.025 4.092 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -5.119 3.819 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -8.734 3.666 -2.984 1.00 0.00 H new ATOM 0 HH TYR A 140 -6.736 3.393 -3.886 1.00 0.00 H new ATOM 133 N ASN A 141 -7.371 7.341 3.134 1.00 0.00 N ATOM 134 CA ASN A 141 -6.169 7.659 3.898 1.00 0.00 C ATOM 135 C ASN A 141 -6.448 8.759 4.917 1.00 0.00 C ATOM 136 O ASN A 141 -6.228 8.580 6.116 1.00 0.00 O ATOM 137 CB ASN A 141 -5.043 8.092 2.957 1.00 0.00 C ATOM 138 CG ASN A 141 -3.678 8.012 3.614 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.522 8.347 4.789 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.683 7.566 2.858 1.00 0.00 N ATOM 0 H ASN A 141 -7.887 8.155 2.801 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.860 6.762 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.053 7.461 2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.224 9.114 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.743 7.489 3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.858 7.300 1.889 1.00 0.00 H new ATOM 147 N CYS A 142 -6.932 9.898 4.433 1.00 0.00 N ATOM 148 CA CYS A 142 -7.241 11.028 5.301 1.00 0.00 C ATOM 149 C CYS A 142 -8.730 11.360 5.252 1.00 0.00 C ATOM 150 O CYS A 142 -9.354 11.614 6.282 1.00 0.00 O ATOM 151 CB CYS A 142 -6.420 12.252 4.890 1.00 0.00 C ATOM 152 SG CYS A 142 -6.931 12.993 3.306 1.00 0.00 S ATOM 0 H CYS A 142 -7.119 10.063 3.444 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.982 10.751 6.323 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -6.496 13.007 5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.370 11.966 4.823 1.00 0.00 H new ATOM 157 N GLY A 143 -9.292 11.357 4.047 1.00 0.00 N ATOM 158 CA GLY A 143 -10.703 11.659 3.886 1.00 0.00 C ATOM 159 C GLY A 143 -10.940 12.862 2.995 1.00 0.00 C ATOM 160 O GLY A 143 -11.840 13.661 3.247 1.00 0.00 O ATOM 0 H GLY A 143 -8.796 11.151 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.211 10.792 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.146 11.843 4.865 1.00 0.00 H new ATOM 164 N GLY A 144 -10.128 12.992 1.951 1.00 0.00 N ATOM 165 CA GLY A 144 -10.269 14.110 1.036 1.00 0.00 C ATOM 166 C GLY A 144 -11.259 13.828 -0.076 1.00 0.00 C ATOM 167 O GLY A 144 -11.325 12.710 -0.590 1.00 0.00 O ATOM 0 H GLY A 144 -9.375 12.343 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.592 14.991 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.297 14.345 0.602 1.00 0.00 H new ATOM 171 N LEU A 145 -12.033 14.842 -0.448 1.00 0.00 N ATOM 172 CA LEU A 145 -13.027 14.697 -1.506 1.00 0.00 C ATOM 173 C LEU A 145 -12.501 15.252 -2.827 1.00 0.00 C ATOM 174 O LEU A 145 -12.725 14.671 -3.888 1.00 0.00 O ATOM 175 CB LEU A 145 -14.322 15.413 -1.118 1.00 0.00 C ATOM 176 CG LEU A 145 -15.100 14.807 0.050 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.174 15.769 0.533 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.716 13.475 -0.354 1.00 0.00 C ATOM 0 H LEU A 145 -11.991 15.773 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.232 13.634 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.082 16.447 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -14.975 15.437 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.406 14.629 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -16.717 15.320 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.709 16.698 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -16.867 15.979 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.266 13.058 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.397 13.628 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.927 12.784 -0.650 1.00 0.00 H new ATOM 190 N ASP A 146 -11.801 16.378 -2.752 1.00 0.00 N ATOM 191 CA ASP A 146 -11.241 17.011 -3.940 1.00 0.00 C ATOM 192 C ASP A 146 -10.169 16.127 -4.571 1.00 0.00 C ATOM 193 O ASP A 146 -10.183 15.882 -5.778 1.00 0.00 O ATOM 194 CB ASP A 146 -10.651 18.377 -3.587 1.00 0.00 C ATOM 195 CG ASP A 146 -9.791 18.331 -2.339 1.00 0.00 C ATOM 196 OD1 ASP A 146 -8.602 17.964 -2.451 1.00 0.00 O ATOM 197 OD2 ASP A 146 -10.306 18.663 -1.252 1.00 0.00 O ATOM 0 H ASP A 146 -11.608 16.872 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.046 17.148 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.053 18.739 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.460 19.092 -3.441 1.00 0.00 H new ATOM 202 N HIS A 147 -9.240 15.652 -3.748 1.00 0.00 N ATOM 203 CA HIS A 147 -8.160 14.796 -4.225 1.00 0.00 C ATOM 204 C HIS A 147 -8.510 13.324 -4.036 1.00 0.00 C ATOM 205 O HIS A 147 -9.384 12.980 -3.239 1.00 0.00 O ATOM 206 CB HIS A 147 -6.859 15.122 -3.490 1.00 0.00 C ATOM 207 CG HIS A 147 -6.811 14.587 -2.092 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.036 15.369 -0.979 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.564 13.339 -1.630 1.00 0.00 C ATOM 210 CE1 HIS A 147 -6.927 14.625 0.107 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.642 13.389 -0.260 1.00 0.00 N ATOM 0 H HIS A 147 -9.213 15.846 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.023 14.985 -5.290 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.020 14.715 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.729 16.204 -3.461 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.253 16.366 -0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.346 12.466 -2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.050 14.969 1.123 1.00 0.00 H new ATOM 219 N HIS A 148 -7.823 12.457 -4.774 1.00 0.00 N ATOM 220 CA HIS A 148 -8.061 11.021 -4.687 1.00 0.00 C ATOM 221 C HIS A 148 -7.013 10.348 -3.807 1.00 0.00 C ATOM 222 O HIS A 148 -5.892 10.839 -3.675 1.00 0.00 O ATOM 223 CB HIS A 148 -8.050 10.395 -6.082 1.00 0.00 C ATOM 224 CG HIS A 148 -8.622 9.012 -6.123 1.00 0.00 C ATOM 225 ND1 HIS A 148 -9.541 8.550 -5.204 1.00 0.00 N ATOM 226 CD2 HIS A 148 -8.402 7.988 -6.981 1.00 0.00 C ATOM 227 CE1 HIS A 148 -9.860 7.301 -5.494 1.00 0.00 C ATOM 228 NE2 HIS A 148 -9.183 6.937 -6.568 1.00 0.00 N ATOM 0 H HIS A 148 -7.097 12.724 -5.439 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.041 10.868 -4.236 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -8.615 11.033 -6.762 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -7.024 10.366 -6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -7.736 7.996 -7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -10.556 6.683 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -9.232 6.023 -7.018 1.00 0.00 H new ATOM 236 N ALA A 149 -7.385 9.223 -3.205 1.00 0.00 N ATOM 237 CA ALA A 149 -6.477 8.483 -2.339 1.00 0.00 C ATOM 238 C ALA A 149 -5.090 8.371 -2.964 1.00 0.00 C ATOM 239 O ALA A 149 -4.076 8.537 -2.286 1.00 0.00 O ATOM 240 CB ALA A 149 -7.038 7.100 -2.043 1.00 0.00 C ATOM 0 H ALA A 149 -8.310 8.804 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.381 9.032 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.349 6.559 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -8.003 7.198 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -7.165 6.551 -2.976 1.00 0.00 H new ATOM 246 N LYS A 150 -5.053 8.087 -4.262 1.00 0.00 N ATOM 247 CA LYS A 150 -3.792 7.952 -4.980 1.00 0.00 C ATOM 248 C LYS A 150 -3.061 9.289 -5.050 1.00 0.00 C ATOM 249 O LYS A 150 -1.848 9.354 -4.854 1.00 0.00 O ATOM 250 CB LYS A 150 -4.040 7.420 -6.393 1.00 0.00 C ATOM 251 CG LYS A 150 -4.924 8.323 -7.237 1.00 0.00 C ATOM 252 CD LYS A 150 -4.976 7.860 -8.683 1.00 0.00 C ATOM 253 CE LYS A 150 -5.393 8.988 -9.615 1.00 0.00 C ATOM 254 NZ LYS A 150 -5.250 8.605 -11.047 1.00 0.00 N ATOM 0 H LYS A 150 -5.883 7.946 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.167 7.243 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.082 7.290 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.501 6.435 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.932 8.337 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.547 9.345 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.997 7.483 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.678 7.032 -8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -6.429 9.261 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.785 9.870 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.544 9.400 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.257 8.368 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.849 7.779 -11.247 1.00 0.00 H new ATOM 268 N GLU A 151 -3.807 10.353 -5.330 1.00 0.00 N ATOM 269 CA GLU A 151 -3.228 11.688 -5.424 1.00 0.00 C ATOM 270 C GLU A 151 -2.681 12.141 -4.074 1.00 0.00 C ATOM 271 O GLU A 151 -1.604 12.732 -3.994 1.00 0.00 O ATOM 272 CB GLU A 151 -4.273 12.687 -5.924 1.00 0.00 C ATOM 273 CG GLU A 151 -4.697 12.456 -7.365 1.00 0.00 C ATOM 274 CD GLU A 151 -5.375 13.667 -7.976 1.00 0.00 C ATOM 275 OE1 GLU A 151 -6.480 14.023 -7.515 1.00 0.00 O ATOM 276 OE2 GLU A 151 -4.802 14.258 -8.914 1.00 0.00 O ATOM 0 H GLU A 151 -4.813 10.317 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 151 -2.403 11.649 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -5.152 12.632 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.873 13.696 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.821 12.196 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -5.376 11.604 -7.408 1.00 0.00 H new ATOM 283 N CYS A 152 -3.431 11.859 -3.014 1.00 0.00 N ATOM 284 CA CYS A 152 -3.023 12.237 -1.666 1.00 0.00 C ATOM 285 C CYS A 152 -1.505 12.176 -1.519 1.00 0.00 C ATOM 286 O CYS A 152 -0.838 11.376 -2.175 1.00 0.00 O ATOM 287 CB CYS A 152 -3.683 11.319 -0.635 1.00 0.00 C ATOM 288 SG CYS A 152 -3.764 12.023 1.043 1.00 0.00 S ATOM 0 H CYS A 152 -4.325 11.370 -3.062 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.346 13.263 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.694 11.084 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.133 10.379 -0.597 1.00 0.00 H new ATOM 293 N LYS A 153 -0.966 13.029 -0.655 1.00 0.00 N ATOM 294 CA LYS A 153 0.473 13.073 -0.419 1.00 0.00 C ATOM 295 C LYS A 153 0.839 12.314 0.852 1.00 0.00 C ATOM 296 O LYS A 153 1.820 11.569 0.881 1.00 0.00 O ATOM 297 CB LYS A 153 0.949 14.524 -0.315 1.00 0.00 C ATOM 298 CG LYS A 153 0.841 15.295 -1.619 1.00 0.00 C ATOM 299 CD LYS A 153 2.079 15.109 -2.481 1.00 0.00 C ATOM 300 CE LYS A 153 1.943 15.830 -3.814 1.00 0.00 C ATOM 301 NZ LYS A 153 1.227 15.000 -4.822 1.00 0.00 N ATOM 0 H LYS A 153 -1.504 13.700 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 153 0.970 12.594 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.364 15.036 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.987 14.534 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.039 14.961 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.701 16.355 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.953 15.485 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.245 14.046 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 153 1.406 16.767 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 153 2.933 16.086 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 1.155 15.526 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 1.753 14.117 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 0.273 14.777 -4.473 1.00 0.00 H new ATOM 315 N LEU A 154 0.046 12.505 1.899 1.00 0.00 N ATOM 316 CA LEU A 154 0.286 11.837 3.174 1.00 0.00 C ATOM 317 C LEU A 154 0.793 10.415 2.956 1.00 0.00 C ATOM 318 O LEU A 154 0.524 9.783 1.934 1.00 0.00 O ATOM 319 CB LEU A 154 -0.995 11.811 4.008 1.00 0.00 C ATOM 320 CG LEU A 154 -1.551 13.172 4.427 1.00 0.00 C ATOM 321 CD1 LEU A 154 -2.994 13.041 4.890 1.00 0.00 C ATOM 322 CD2 LEU A 154 -0.692 13.785 5.523 1.00 0.00 C ATOM 0 H LEU A 154 -0.770 13.117 1.891 1.00 0.00 H new ATOM 0 HA LEU A 154 1.051 12.398 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.764 11.286 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.807 11.225 4.908 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.528 13.834 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -3.372 14.020 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.603 12.646 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -3.043 12.363 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -1.103 14.753 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -0.683 13.125 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.326 13.917 5.157 1.00 0.00 H new ATOM 334 N PRO A 155 1.545 9.897 3.939 1.00 0.00 N ATOM 335 CA PRO A 155 2.103 8.543 3.879 1.00 0.00 C ATOM 336 C PRO A 155 1.029 7.467 4.000 1.00 0.00 C ATOM 337 O PRO A 155 0.230 7.457 4.936 1.00 0.00 O ATOM 338 CB PRO A 155 3.046 8.495 5.083 1.00 0.00 C ATOM 339 CG PRO A 155 2.499 9.503 6.034 1.00 0.00 C ATOM 340 CD PRO A 155 1.906 10.594 5.185 1.00 0.00 C ATOM 0 HA PRO A 155 2.595 8.347 2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.068 7.501 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.069 8.737 4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.744 9.059 6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.284 9.895 6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.035 11.045 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.621 11.396 5.004 1.00 0.00 H new ATOM 348 N PRO A 156 1.009 6.539 3.031 1.00 0.00 N ATOM 349 CA PRO A 156 0.038 5.441 3.008 1.00 0.00 C ATOM 350 C PRO A 156 0.288 4.422 4.114 1.00 0.00 C ATOM 351 O PRO A 156 1.285 3.701 4.091 1.00 0.00 O ATOM 352 CB PRO A 156 0.257 4.803 1.634 1.00 0.00 C ATOM 353 CG PRO A 156 1.664 5.140 1.280 1.00 0.00 C ATOM 354 CD PRO A 156 1.932 6.490 1.885 1.00 0.00 C ATOM 0 HA PRO A 156 -0.980 5.794 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 156 0.105 3.724 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.442 5.199 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 156 2.354 4.393 1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.799 5.163 0.199 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.970 6.590 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.736 7.294 1.176 1.00 0.00 H new ATOM 362 N GLN A 157 -0.622 4.369 5.081 1.00 0.00 N ATOM 363 CA GLN A 157 -0.498 3.438 6.196 1.00 0.00 C ATOM 364 C GLN A 157 0.088 2.108 5.733 1.00 0.00 C ATOM 365 O GLN A 157 -0.013 1.731 4.565 1.00 0.00 O ATOM 366 CB GLN A 157 -1.862 3.207 6.849 1.00 0.00 C ATOM 367 CG GLN A 157 -2.388 4.418 7.603 1.00 0.00 C ATOM 368 CD GLN A 157 -1.351 5.029 8.524 1.00 0.00 C ATOM 369 OE1 GLN A 157 -1.296 4.712 9.713 1.00 0.00 O ATOM 370 NE2 GLN A 157 -0.520 5.910 7.980 1.00 0.00 N ATOM 0 H GLN A 157 -1.453 4.960 5.115 1.00 0.00 H new ATOM 0 HA GLN A 157 0.179 3.877 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.582 2.928 6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.788 2.365 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -2.721 5.170 6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -3.260 4.126 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -0.601 6.144 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 157 0.199 6.353 8.552 1.00 0.00 H new ATOM 379 N PRO A 158 0.717 1.381 6.667 1.00 0.00 N ATOM 380 CA PRO A 158 1.332 0.082 6.378 1.00 0.00 C ATOM 381 C PRO A 158 0.296 -1.000 6.093 1.00 0.00 C ATOM 382 O PRO A 158 0.615 -2.189 6.070 1.00 0.00 O ATOM 383 CB PRO A 158 2.102 -0.240 7.661 1.00 0.00 C ATOM 384 CG PRO A 158 1.390 0.515 8.730 1.00 0.00 C ATOM 385 CD PRO A 158 0.876 1.770 8.079 1.00 0.00 C ATOM 0 HA PRO A 158 1.958 0.118 5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.101 -1.311 7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.144 0.069 7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.571 -0.073 9.144 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.062 0.751 9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.069 2.091 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.577 2.597 8.192 1.00 0.00 H new ATOM 393 N LYS A 159 -0.946 -0.580 5.876 1.00 0.00 N ATOM 394 CA LYS A 159 -2.030 -1.513 5.591 1.00 0.00 C ATOM 395 C LYS A 159 -1.621 -2.509 4.511 1.00 0.00 C ATOM 396 O LYS A 159 -0.751 -2.225 3.687 1.00 0.00 O ATOM 397 CB LYS A 159 -3.282 -0.751 5.150 1.00 0.00 C ATOM 398 CG LYS A 159 -3.785 0.242 6.183 1.00 0.00 C ATOM 399 CD LYS A 159 -4.537 -0.453 7.305 1.00 0.00 C ATOM 400 CE LYS A 159 -5.972 -0.764 6.906 1.00 0.00 C ATOM 401 NZ LYS A 159 -6.727 -1.413 8.013 1.00 0.00 N ATOM 0 H LYS A 159 -1.227 0.400 5.892 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.251 -2.066 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.066 -0.220 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.074 -1.467 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -2.942 0.796 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.439 0.969 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -4.024 -1.377 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.534 0.180 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -6.476 0.158 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -5.973 -1.418 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.700 -1.609 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -6.261 -2.305 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.748 -0.779 8.837 1.00 0.00 H new ATOM 415 N LYS A 160 -2.254 -3.677 4.519 1.00 0.00 N ATOM 416 CA LYS A 160 -1.959 -4.715 3.539 1.00 0.00 C ATOM 417 C LYS A 160 -2.333 -4.257 2.133 1.00 0.00 C ATOM 418 O LYS A 160 -3.064 -3.281 1.960 1.00 0.00 O ATOM 419 CB LYS A 160 -2.712 -6.001 3.885 1.00 0.00 C ATOM 420 CG LYS A 160 -4.223 -5.849 3.856 1.00 0.00 C ATOM 421 CD LYS A 160 -4.907 -6.915 4.695 1.00 0.00 C ATOM 422 CE LYS A 160 -6.219 -6.410 5.276 1.00 0.00 C ATOM 423 NZ LYS A 160 -6.563 -7.100 6.550 1.00 0.00 N ATOM 0 H LYS A 160 -2.976 -3.929 5.194 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.887 -4.911 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -2.421 -6.782 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -2.408 -6.334 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.497 -4.861 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.576 -5.913 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -5.095 -7.797 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -4.245 -7.224 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -6.149 -5.337 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -7.020 -6.563 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -7.463 -6.728 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -6.655 -8.122 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -5.811 -6.933 7.249 1.00 0.00 H new ATOM 437 N CYS A 161 -1.830 -4.970 1.130 1.00 0.00 N ATOM 438 CA CYS A 161 -2.112 -4.638 -0.261 1.00 0.00 C ATOM 439 C CYS A 161 -3.578 -4.254 -0.443 1.00 0.00 C ATOM 440 O CYS A 161 -4.476 -5.067 -0.218 1.00 0.00 O ATOM 441 CB CYS A 161 -1.767 -5.820 -1.169 1.00 0.00 C ATOM 442 SG CYS A 161 -2.250 -5.587 -2.910 1.00 0.00 S ATOM 0 H CYS A 161 -1.225 -5.782 1.255 1.00 0.00 H new ATOM 0 HA CYS A 161 -1.494 -3.783 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -0.693 -5.999 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -2.256 -6.715 -0.784 1.00 0.00 H new ATOM 447 N HIS A 162 -3.812 -3.011 -0.851 1.00 0.00 N ATOM 448 CA HIS A 162 -5.169 -2.519 -1.063 1.00 0.00 C ATOM 449 C HIS A 162 -5.688 -2.934 -2.436 1.00 0.00 C ATOM 450 O HIS A 162 -6.381 -2.169 -3.107 1.00 0.00 O ATOM 451 CB HIS A 162 -5.209 -0.997 -0.929 1.00 0.00 C ATOM 452 CG HIS A 162 -4.752 -0.275 -2.159 1.00 0.00 C ATOM 453 ND1 HIS A 162 -5.481 0.733 -2.755 1.00 0.00 N ATOM 454 CD2 HIS A 162 -3.631 -0.418 -2.904 1.00 0.00 C ATOM 455 CE1 HIS A 162 -4.829 1.177 -3.815 1.00 0.00 C ATOM 456 NE2 HIS A 162 -3.703 0.496 -3.927 1.00 0.00 N ATOM 0 H HIS A 162 -3.080 -2.326 -1.041 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.812 -2.960 -0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -6.227 -0.688 -0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -4.583 -0.698 -0.088 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -6.382 1.081 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -2.829 -1.120 -2.727 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -5.160 1.963 -4.477 1.00 0.00 H new ATOM 464 N PHE A 163 -5.348 -4.151 -2.850 1.00 0.00 N ATOM 465 CA PHE A 163 -5.778 -4.667 -4.144 1.00 0.00 C ATOM 466 C PHE A 163 -6.307 -6.092 -4.013 1.00 0.00 C ATOM 467 O PHE A 163 -7.420 -6.396 -4.442 1.00 0.00 O ATOM 468 CB PHE A 163 -4.619 -4.631 -5.142 1.00 0.00 C ATOM 469 CG PHE A 163 -5.057 -4.743 -6.574 1.00 0.00 C ATOM 470 CD1 PHE A 163 -5.671 -3.676 -7.211 1.00 0.00 C ATOM 471 CD2 PHE A 163 -4.857 -5.916 -7.284 1.00 0.00 C ATOM 472 CE1 PHE A 163 -6.075 -3.776 -8.529 1.00 0.00 C ATOM 473 CE2 PHE A 163 -5.259 -6.022 -8.602 1.00 0.00 C ATOM 474 CZ PHE A 163 -5.870 -4.951 -9.225 1.00 0.00 C ATOM 0 H PHE A 163 -4.776 -4.798 -2.307 1.00 0.00 H new ATOM 0 HA PHE A 163 -6.584 -4.031 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -4.066 -3.701 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -3.930 -5.445 -4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -5.836 -2.755 -6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -4.381 -6.757 -6.802 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -6.550 -2.936 -9.014 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -5.096 -6.941 -9.145 1.00 0.00 H new ATOM 0 HZ PHE A 163 -6.187 -5.032 -10.254 1.00 0.00 H new ATOM 484 N CYS A 164 -5.500 -6.963 -3.416 1.00 0.00 N ATOM 485 CA CYS A 164 -5.884 -8.357 -3.228 1.00 0.00 C ATOM 486 C CYS A 164 -5.726 -8.773 -1.768 1.00 0.00 C ATOM 487 O CYS A 164 -5.578 -9.955 -1.462 1.00 0.00 O ATOM 488 CB CYS A 164 -5.039 -9.266 -4.123 1.00 0.00 C ATOM 489 SG CYS A 164 -3.292 -9.386 -3.621 1.00 0.00 S ATOM 0 H CYS A 164 -4.576 -6.728 -3.054 1.00 0.00 H new ATOM 0 HA CYS A 164 -6.933 -8.459 -3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -5.475 -10.265 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -5.087 -8.896 -5.147 1.00 0.00 H new ATOM 494 N GLN A 165 -5.759 -7.791 -0.872 1.00 0.00 N ATOM 495 CA GLN A 165 -5.619 -8.055 0.555 1.00 0.00 C ATOM 496 C GLN A 165 -4.546 -9.109 0.811 1.00 0.00 C ATOM 497 O GLN A 165 -4.723 -9.999 1.643 1.00 0.00 O ATOM 498 CB GLN A 165 -6.954 -8.515 1.143 1.00 0.00 C ATOM 499 CG GLN A 165 -7.959 -7.390 1.326 1.00 0.00 C ATOM 500 CD GLN A 165 -8.293 -6.689 0.023 1.00 0.00 C ATOM 501 OE1 GLN A 165 -8.019 -5.500 -0.144 1.00 0.00 O ATOM 502 NE2 GLN A 165 -8.888 -7.424 -0.909 1.00 0.00 N ATOM 0 H GLN A 165 -5.881 -6.807 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 165 -5.315 -7.129 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -7.386 -9.274 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -6.772 -8.989 2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -8.873 -7.792 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.560 -6.663 2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -9.097 -8.406 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -9.136 -7.007 -1.806 1.00 0.00 H new ATOM 511 N SER A 166 -3.435 -9.002 0.090 1.00 0.00 N ATOM 512 CA SER A 166 -2.335 -9.948 0.236 1.00 0.00 C ATOM 513 C SER A 166 -1.343 -9.470 1.292 1.00 0.00 C ATOM 514 O SER A 166 -0.282 -8.937 0.966 1.00 0.00 O ATOM 515 CB SER A 166 -1.619 -10.141 -1.102 1.00 0.00 C ATOM 516 OG SER A 166 -0.337 -10.716 -0.916 1.00 0.00 O ATOM 0 H SER A 166 -3.273 -8.270 -0.601 1.00 0.00 H new ATOM 0 HA SER A 166 -2.751 -10.903 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 166 -2.218 -10.782 -1.749 1.00 0.00 H new ATOM 0 HB3 SER A 166 -1.520 -9.180 -1.607 1.00 0.00 H new ATOM 0 HG SER A 166 -0.289 -11.570 -1.394 1.00 0.00 H new ATOM 522 N ILE A 167 -1.697 -9.664 2.558 1.00 0.00 N ATOM 523 CA ILE A 167 -0.839 -9.253 3.662 1.00 0.00 C ATOM 524 C ILE A 167 0.613 -9.644 3.405 1.00 0.00 C ATOM 525 O ILE A 167 1.534 -9.065 3.981 1.00 0.00 O ATOM 526 CB ILE A 167 -1.298 -9.877 4.994 1.00 0.00 C ATOM 527 CG1 ILE A 167 -1.253 -11.404 4.909 1.00 0.00 C ATOM 528 CG2 ILE A 167 -2.699 -9.401 5.346 1.00 0.00 C ATOM 529 CD1 ILE A 167 -1.291 -12.086 6.259 1.00 0.00 C ATOM 0 H ILE A 167 -2.572 -10.103 2.844 1.00 0.00 H new ATOM 0 HA ILE A 167 -0.914 -8.168 3.733 1.00 0.00 H new ATOM 0 HB ILE A 167 -0.618 -9.556 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -2.096 -11.752 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -0.346 -11.704 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -3.010 -9.850 6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -2.701 -8.315 5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.392 -9.696 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -1.256 -13.167 6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -0.434 -11.767 6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -2.211 -11.816 6.777 1.00 0.00 H new ATOM 541 N SER A 168 0.809 -10.628 2.533 1.00 0.00 N ATOM 542 CA SER A 168 2.149 -11.097 2.200 1.00 0.00 C ATOM 543 C SER A 168 2.926 -10.027 1.439 1.00 0.00 C ATOM 544 O SER A 168 3.898 -9.468 1.950 1.00 0.00 O ATOM 545 CB SER A 168 2.071 -12.377 1.365 1.00 0.00 C ATOM 546 OG SER A 168 3.365 -12.860 1.050 1.00 0.00 O ATOM 0 H SER A 168 0.058 -11.115 2.045 1.00 0.00 H new ATOM 0 HA SER A 168 2.674 -11.310 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 168 1.518 -13.140 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 168 1.518 -12.182 0.446 1.00 0.00 H new ATOM 0 HG SER A 168 3.288 -13.679 0.518 1.00 0.00 H new ATOM 552 N HIS A 169 2.491 -9.746 0.215 1.00 0.00 N ATOM 553 CA HIS A 169 3.144 -8.742 -0.617 1.00 0.00 C ATOM 554 C HIS A 169 2.409 -7.408 -0.538 1.00 0.00 C ATOM 555 O HIS A 169 1.341 -7.312 0.066 1.00 0.00 O ATOM 556 CB HIS A 169 3.209 -9.217 -2.070 1.00 0.00 C ATOM 557 CG HIS A 169 1.875 -9.244 -2.750 1.00 0.00 C ATOM 558 ND1 HIS A 169 1.313 -10.396 -3.259 1.00 0.00 N ATOM 559 CD2 HIS A 169 0.990 -8.252 -3.003 1.00 0.00 C ATOM 560 CE1 HIS A 169 0.141 -10.111 -3.797 1.00 0.00 C ATOM 561 NE2 HIS A 169 -0.079 -8.816 -3.655 1.00 0.00 N ATOM 0 H HIS A 169 1.689 -10.199 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 169 4.158 -8.600 -0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 169 3.879 -8.563 -2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 169 3.643 -10.217 -2.098 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.736 -11.323 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 169 1.103 -7.210 -2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -0.524 -10.817 -4.272 1.00 0.00 H new ATOM 569 N MET A 170 2.989 -6.381 -1.150 1.00 0.00 N ATOM 570 CA MET A 170 2.388 -5.052 -1.148 1.00 0.00 C ATOM 571 C MET A 170 1.796 -4.722 -2.514 1.00 0.00 C ATOM 572 O MET A 170 2.082 -5.394 -3.505 1.00 0.00 O ATOM 573 CB MET A 170 3.428 -3.999 -0.762 1.00 0.00 C ATOM 574 CG MET A 170 3.911 -4.121 0.674 1.00 0.00 C ATOM 575 SD MET A 170 5.339 -3.075 1.017 1.00 0.00 S ATOM 576 CE MET A 170 4.543 -1.494 1.293 1.00 0.00 C ATOM 0 H MET A 170 3.874 -6.443 -1.653 1.00 0.00 H new ATOM 0 HA MET A 170 1.584 -5.045 -0.412 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.283 -4.082 -1.433 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.001 -3.007 -0.910 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.099 -3.854 1.350 1.00 0.00 H new ATOM 0 HG3 MET A 170 4.169 -5.160 0.880 1.00 0.00 H new ATOM 0 HE1 MET A 170 5.298 -0.741 1.518 1.00 0.00 H new ATOM 0 HE2 MET A 170 3.994 -1.202 0.398 1.00 0.00 H new ATOM 0 HE3 MET A 170 3.852 -1.576 2.132 1.00 0.00 H new ATOM 586 N VAL A 171 0.968 -3.682 -2.560 1.00 0.00 N ATOM 587 CA VAL A 171 0.336 -3.262 -3.805 1.00 0.00 C ATOM 588 C VAL A 171 1.376 -2.803 -4.821 1.00 0.00 C ATOM 589 O VAL A 171 1.229 -3.033 -6.021 1.00 0.00 O ATOM 590 CB VAL A 171 -0.671 -2.122 -3.566 1.00 0.00 C ATOM 591 CG1 VAL A 171 0.051 -0.852 -3.141 1.00 0.00 C ATOM 592 CG2 VAL A 171 -1.505 -1.878 -4.815 1.00 0.00 C ATOM 0 H VAL A 171 0.720 -3.115 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 171 -0.195 -4.129 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.343 -2.417 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -0.677 -0.057 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.601 -1.037 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 171 0.747 -0.550 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.211 -1.069 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -0.850 -1.604 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.052 -2.786 -5.070 1.00 0.00 H new ATOM 602 N ALA A 172 2.427 -2.153 -4.332 1.00 0.00 N ATOM 603 CA ALA A 172 3.493 -1.664 -5.197 1.00 0.00 C ATOM 604 C ALA A 172 4.211 -2.817 -5.890 1.00 0.00 C ATOM 605 O ALA A 172 4.751 -2.657 -6.984 1.00 0.00 O ATOM 606 CB ALA A 172 4.481 -0.828 -4.397 1.00 0.00 C ATOM 0 H ALA A 172 2.563 -1.953 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 172 3.043 -1.037 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.272 -0.470 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 172 3.963 0.023 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.917 -1.438 -3.606 1.00 0.00 H new ATOM 612 N SER A 173 4.214 -3.979 -5.244 1.00 0.00 N ATOM 613 CA SER A 173 4.870 -5.158 -5.796 1.00 0.00 C ATOM 614 C SER A 173 3.853 -6.094 -6.442 1.00 0.00 C ATOM 615 O SER A 173 4.188 -6.873 -7.335 1.00 0.00 O ATOM 616 CB SER A 173 5.638 -5.900 -4.701 1.00 0.00 C ATOM 617 OG SER A 173 6.513 -5.026 -4.009 1.00 0.00 O ATOM 0 H SER A 173 3.770 -4.129 -4.338 1.00 0.00 H new ATOM 0 HA SER A 173 5.571 -4.827 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 173 4.935 -6.347 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 173 6.209 -6.717 -5.143 1.00 0.00 H new ATOM 0 HG SER A 173 6.991 -5.524 -3.313 1.00 0.00 H new ATOM 623 N CYS A 174 2.608 -6.010 -5.985 1.00 0.00 N ATOM 624 CA CYS A 174 1.540 -6.848 -6.516 1.00 0.00 C ATOM 625 C CYS A 174 1.718 -7.072 -8.015 1.00 0.00 C ATOM 626 O CYS A 174 1.924 -6.135 -8.788 1.00 0.00 O ATOM 627 CB CYS A 174 0.177 -6.208 -6.244 1.00 0.00 C ATOM 628 SG CYS A 174 -1.223 -7.368 -6.346 1.00 0.00 S ATOM 0 H CYS A 174 2.314 -5.370 -5.248 1.00 0.00 H new ATOM 0 HA CYS A 174 1.587 -7.814 -6.013 1.00 0.00 H new ATOM 0 HB2 CYS A 174 0.191 -5.758 -5.251 1.00 0.00 H new ATOM 0 HB3 CYS A 174 0.018 -5.400 -6.958 1.00 0.00 H new ATOM 633 N PRO A 175 1.638 -8.342 -8.438 1.00 0.00 N ATOM 634 CA PRO A 175 1.787 -8.719 -9.847 1.00 0.00 C ATOM 635 C PRO A 175 0.608 -8.258 -10.698 1.00 0.00 C ATOM 636 O PRO A 175 0.790 -7.621 -11.736 1.00 0.00 O ATOM 637 CB PRO A 175 1.848 -10.248 -9.801 1.00 0.00 C ATOM 638 CG PRO A 175 1.126 -10.618 -8.552 1.00 0.00 C ATOM 639 CD PRO A 175 1.395 -9.509 -7.573 1.00 0.00 C ATOM 0 HA PRO A 175 2.664 -8.258 -10.302 1.00 0.00 H new ATOM 0 HB2 PRO A 175 1.374 -10.690 -10.678 1.00 0.00 H new ATOM 0 HB3 PRO A 175 2.878 -10.603 -9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 175 0.057 -10.725 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 175 1.480 -11.574 -8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 175 0.547 -9.346 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 175 2.257 -9.729 -6.943 1.00 0.00 H new ATOM 647 N LEU A 176 -0.600 -8.584 -10.252 1.00 0.00 N ATOM 648 CA LEU A 176 -1.810 -8.202 -10.972 1.00 0.00 C ATOM 649 C LEU A 176 -1.710 -6.770 -11.485 1.00 0.00 C ATOM 650 O LEU A 176 -2.111 -6.472 -12.611 1.00 0.00 O ATOM 651 CB LEU A 176 -3.034 -8.348 -10.067 1.00 0.00 C ATOM 652 CG LEU A 176 -3.214 -9.709 -9.394 1.00 0.00 C ATOM 653 CD1 LEU A 176 -4.276 -9.632 -8.308 1.00 0.00 C ATOM 654 CD2 LEU A 176 -3.577 -10.769 -10.424 1.00 0.00 C ATOM 0 H LEU A 176 -0.768 -9.112 -9.395 1.00 0.00 H new ATOM 0 HA LEU A 176 -1.918 -8.868 -11.828 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.979 -7.586 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -3.925 -8.137 -10.658 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.269 -9.991 -8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -4.390 -10.610 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -3.975 -8.903 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -5.225 -9.328 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -3.701 -11.731 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -4.509 -10.493 -10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -2.781 -10.843 -11.165 1.00 0.00 H new ATOM 666 N LYS A 177 -1.169 -5.885 -10.653 1.00 0.00 N ATOM 667 CA LYS A 177 -1.012 -4.484 -11.023 1.00 0.00 C ATOM 668 C LYS A 177 0.215 -4.288 -11.908 1.00 0.00 C ATOM 669 O LYS A 177 0.171 -3.551 -12.892 1.00 0.00 O ATOM 670 CB LYS A 177 -0.893 -3.615 -9.768 1.00 0.00 C ATOM 671 CG LYS A 177 -2.222 -3.063 -9.282 1.00 0.00 C ATOM 672 CD LYS A 177 -2.046 -1.735 -8.566 1.00 0.00 C ATOM 673 CE LYS A 177 -3.277 -0.854 -8.715 1.00 0.00 C ATOM 674 NZ LYS A 177 -4.261 -1.086 -7.622 1.00 0.00 N ATOM 0 H LYS A 177 -0.832 -6.114 -9.718 1.00 0.00 H new ATOM 0 HA LYS A 177 -1.895 -4.182 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.440 -4.204 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.218 -2.785 -9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -2.895 -2.934 -10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -2.691 -3.781 -8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.851 -1.914 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -1.175 -1.216 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -2.976 0.194 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -3.750 -1.051 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -4.869 -0.248 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -4.848 -1.913 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -3.755 -1.259 -6.730 1.00 0.00 H new ATOM 688 N ALA A 178 1.308 -4.955 -11.551 1.00 0.00 N ATOM 689 CA ALA A 178 2.546 -4.857 -12.315 1.00 0.00 C ATOM 690 C ALA A 178 2.719 -6.060 -13.236 1.00 0.00 C ATOM 691 O ALA A 178 3.592 -6.899 -13.017 1.00 0.00 O ATOM 692 CB ALA A 178 3.737 -4.732 -11.377 1.00 0.00 C ATOM 0 H ALA A 178 1.361 -5.569 -10.738 1.00 0.00 H new ATOM 0 HA ALA A 178 2.491 -3.962 -12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 178 4.654 -4.660 -11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 178 3.625 -3.837 -10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 178 3.786 -5.609 -10.732 1.00 0.00 H new ATOM 698 N GLN A 179 1.881 -6.137 -14.265 1.00 0.00 N ATOM 699 CA GLN A 179 1.942 -7.239 -15.218 1.00 0.00 C ATOM 700 C GLN A 179 3.192 -7.140 -16.086 1.00 0.00 C ATOM 701 O GLN A 179 4.048 -8.023 -16.059 1.00 0.00 O ATOM 702 CB GLN A 179 0.693 -7.247 -16.101 1.00 0.00 C ATOM 703 CG GLN A 179 -0.564 -7.697 -15.373 1.00 0.00 C ATOM 704 CD GLN A 179 -1.807 -7.588 -16.234 1.00 0.00 C ATOM 705 OE1 GLN A 179 -1.972 -8.329 -17.203 1.00 0.00 O ATOM 706 NE2 GLN A 179 -2.690 -6.661 -15.884 1.00 0.00 N ATOM 0 H GLN A 179 1.153 -5.450 -14.460 1.00 0.00 H new ATOM 0 HA GLN A 179 1.986 -8.171 -14.655 1.00 0.00 H new ATOM 0 HB2 GLN A 179 0.533 -6.245 -16.499 1.00 0.00 H new ATOM 0 HB3 GLN A 179 0.865 -7.905 -16.953 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -0.441 -8.730 -15.048 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -0.695 -7.094 -14.475 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -2.513 -6.068 -15.073 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -3.546 -6.541 -16.426 1.00 0.00 H new ATOM 715 N GLN A 180 3.289 -6.060 -16.854 1.00 0.00 N ATOM 716 CA GLN A 180 4.434 -5.847 -17.731 1.00 0.00 C ATOM 717 C GLN A 180 5.694 -5.560 -16.921 1.00 0.00 C ATOM 718 O GLN A 180 5.622 -5.071 -15.794 1.00 0.00 O ATOM 719 CB GLN A 180 4.158 -4.690 -18.694 1.00 0.00 C ATOM 720 CG GLN A 180 4.113 -3.331 -18.015 1.00 0.00 C ATOM 721 CD GLN A 180 3.854 -2.200 -18.990 1.00 0.00 C ATOM 722 OE1 GLN A 180 3.539 -2.431 -20.158 1.00 0.00 O ATOM 723 NE2 GLN A 180 3.986 -0.967 -18.515 1.00 0.00 N ATOM 0 H GLN A 180 2.589 -5.319 -16.887 1.00 0.00 H new ATOM 0 HA GLN A 180 4.593 -6.759 -18.306 1.00 0.00 H new ATOM 0 HB2 GLN A 180 4.930 -4.677 -19.464 1.00 0.00 H new ATOM 0 HB3 GLN A 180 3.208 -4.867 -19.198 1.00 0.00 H new ATOM 0 HG2 GLN A 180 3.333 -3.335 -17.254 1.00 0.00 H new ATOM 0 HG3 GLN A 180 5.058 -3.154 -17.502 1.00 0.00 H new ATOM 0 HE21 GLN A 180 4.249 -0.821 -17.540 1.00 0.00 H new ATOM 0 HE22 GLN A 180 3.825 -0.166 -19.125 1.00 0.00 H new ATOM 732 N GLY A 181 6.849 -5.867 -17.503 1.00 0.00 N ATOM 733 CA GLY A 181 8.109 -5.636 -16.820 1.00 0.00 C ATOM 734 C GLY A 181 8.437 -4.161 -16.692 1.00 0.00 C ATOM 735 O GLY A 181 7.571 -3.297 -16.831 1.00 0.00 O ATOM 0 H GLY A 181 6.935 -6.272 -18.435 1.00 0.00 H new ATOM 0 HA2 GLY A 181 8.068 -6.083 -15.827 1.00 0.00 H new ATOM 0 HA3 GLY A 181 8.910 -6.138 -17.363 1.00 0.00 H new ATOM 739 N PRO A 182 9.714 -3.857 -16.420 1.00 0.00 N ATOM 740 CA PRO A 182 10.183 -2.476 -16.266 1.00 0.00 C ATOM 741 C PRO A 182 10.180 -1.712 -17.586 1.00 0.00 C ATOM 742 O PRO A 182 10.548 -0.539 -17.635 1.00 0.00 O ATOM 743 CB PRO A 182 11.614 -2.644 -15.748 1.00 0.00 C ATOM 744 CG PRO A 182 12.039 -3.985 -16.236 1.00 0.00 C ATOM 745 CD PRO A 182 10.799 -4.836 -16.241 1.00 0.00 C ATOM 0 HA PRO A 182 9.540 -1.898 -15.602 1.00 0.00 H new ATOM 0 HB2 PRO A 182 12.267 -1.859 -16.129 1.00 0.00 H new ATOM 0 HB3 PRO A 182 11.650 -2.589 -14.660 1.00 0.00 H new ATOM 0 HG2 PRO A 182 12.470 -3.918 -17.235 1.00 0.00 H new ATOM 0 HG3 PRO A 182 12.803 -4.412 -15.587 1.00 0.00 H new ATOM 0 HD2 PRO A 182 10.817 -5.568 -17.049 1.00 0.00 H new ATOM 0 HD3 PRO A 182 10.689 -5.392 -15.310 1.00 0.00 H new ATOM 753 N SER A 183 9.761 -2.386 -18.653 1.00 0.00 N ATOM 754 CA SER A 183 9.714 -1.771 -19.974 1.00 0.00 C ATOM 755 C SER A 183 8.338 -1.953 -20.608 1.00 0.00 C ATOM 756 O SER A 183 7.846 -3.073 -20.738 1.00 0.00 O ATOM 757 CB SER A 183 10.789 -2.373 -20.879 1.00 0.00 C ATOM 758 OG SER A 183 12.045 -1.753 -20.662 1.00 0.00 O ATOM 0 H SER A 183 9.450 -3.357 -18.628 1.00 0.00 H new ATOM 0 HA SER A 183 9.904 -0.704 -19.858 1.00 0.00 H new ATOM 0 HB2 SER A 183 10.871 -3.443 -20.689 1.00 0.00 H new ATOM 0 HB3 SER A 183 10.498 -2.256 -21.923 1.00 0.00 H new ATOM 0 HG SER A 183 12.715 -2.157 -21.252 1.00 0.00 H new ATOM 764 N ALA A 184 7.723 -0.843 -21.003 1.00 0.00 N ATOM 765 CA ALA A 184 6.406 -0.879 -21.625 1.00 0.00 C ATOM 766 C ALA A 184 6.500 -1.313 -23.084 1.00 0.00 C ATOM 767 O ALA A 184 5.849 -2.271 -23.499 1.00 0.00 O ATOM 768 CB ALA A 184 5.735 0.483 -21.520 1.00 0.00 C ATOM 0 H ALA A 184 8.117 0.093 -20.903 1.00 0.00 H new ATOM 0 HA ALA A 184 5.800 -1.612 -21.093 1.00 0.00 H new ATOM 0 HB1 ALA A 184 4.752 0.441 -21.989 1.00 0.00 H new ATOM 0 HB2 ALA A 184 5.625 0.754 -20.470 1.00 0.00 H new ATOM 0 HB3 ALA A 184 6.347 1.230 -22.026 1.00 0.00 H new ATOM 774 N GLN A 185 7.314 -0.601 -23.857 1.00 0.00 N ATOM 775 CA GLN A 185 7.491 -0.913 -25.270 1.00 0.00 C ATOM 776 C GLN A 185 8.961 -1.164 -25.592 1.00 0.00 C ATOM 777 O GLN A 185 9.784 -0.251 -25.536 1.00 0.00 O ATOM 778 CB GLN A 185 6.955 0.227 -26.137 1.00 0.00 C ATOM 779 CG GLN A 185 7.239 0.049 -27.620 1.00 0.00 C ATOM 780 CD GLN A 185 7.125 1.347 -28.396 1.00 0.00 C ATOM 781 OE1 GLN A 185 8.090 2.103 -28.509 1.00 0.00 O ATOM 782 NE2 GLN A 185 5.941 1.612 -28.936 1.00 0.00 N ATOM 0 H GLN A 185 7.861 0.195 -23.529 1.00 0.00 H new ATOM 0 HA GLN A 185 6.929 -1.821 -25.488 1.00 0.00 H new ATOM 0 HB2 GLN A 185 5.878 0.309 -25.989 1.00 0.00 H new ATOM 0 HB3 GLN A 185 7.396 1.166 -25.801 1.00 0.00 H new ATOM 0 HG2 GLN A 185 8.242 -0.359 -27.748 1.00 0.00 H new ATOM 0 HG3 GLN A 185 6.543 -0.680 -28.034 1.00 0.00 H new ATOM 0 HE21 GLN A 185 5.168 0.957 -28.817 1.00 0.00 H new ATOM 0 HE22 GLN A 185 5.804 2.471 -29.469 1.00 0.00 H new ATOM 791 N GLY A 186 9.284 -2.409 -25.929 1.00 0.00 N ATOM 792 CA GLY A 186 10.654 -2.758 -26.255 1.00 0.00 C ATOM 793 C GLY A 186 11.162 -3.933 -25.442 1.00 0.00 C ATOM 794 O GLY A 186 11.940 -3.757 -24.504 1.00 0.00 O ATOM 0 H GLY A 186 8.621 -3.182 -25.982 1.00 0.00 H new ATOM 0 HA2 GLY A 186 10.722 -2.998 -27.316 1.00 0.00 H new ATOM 0 HA3 GLY A 186 11.297 -1.895 -26.081 1.00 0.00 H new ATOM 798 N SER A 187 10.720 -5.134 -25.800 1.00 0.00 N ATOM 799 CA SER A 187 11.131 -6.342 -25.094 1.00 0.00 C ATOM 800 C SER A 187 12.624 -6.595 -25.273 1.00 0.00 C ATOM 801 O SER A 187 13.167 -6.429 -26.365 1.00 0.00 O ATOM 802 CB SER A 187 10.334 -7.547 -25.596 1.00 0.00 C ATOM 803 OG SER A 187 10.281 -8.568 -24.614 1.00 0.00 O ATOM 0 H SER A 187 10.077 -5.297 -26.575 1.00 0.00 H new ATOM 0 HA SER A 187 10.930 -6.199 -24.032 1.00 0.00 H new ATOM 0 HB2 SER A 187 9.322 -7.235 -25.856 1.00 0.00 H new ATOM 0 HB3 SER A 187 10.791 -7.936 -26.506 1.00 0.00 H new ATOM 0 HG SER A 187 9.765 -9.327 -24.958 1.00 0.00 H new ATOM 809 N GLY A 188 13.284 -6.998 -24.192 1.00 0.00 N ATOM 810 CA GLY A 188 14.709 -7.268 -24.250 1.00 0.00 C ATOM 811 C GLY A 188 15.250 -7.808 -22.941 1.00 0.00 C ATOM 812 O GLY A 188 14.908 -7.332 -21.859 1.00 0.00 O ATOM 0 H GLY A 188 12.858 -7.142 -23.277 1.00 0.00 H new ATOM 0 HA2 GLY A 188 14.908 -7.986 -25.046 1.00 0.00 H new ATOM 0 HA3 GLY A 188 15.239 -6.351 -24.508 1.00 0.00 H new ATOM 816 N PRO A 189 16.116 -8.829 -23.030 1.00 0.00 N ATOM 817 CA PRO A 189 16.723 -9.458 -21.854 1.00 0.00 C ATOM 818 C PRO A 189 17.724 -8.541 -21.158 1.00 0.00 C ATOM 819 O PRO A 189 18.385 -8.941 -20.200 1.00 0.00 O ATOM 820 CB PRO A 189 17.434 -10.683 -22.433 1.00 0.00 C ATOM 821 CG PRO A 189 17.710 -10.325 -23.852 1.00 0.00 C ATOM 822 CD PRO A 189 16.569 -9.447 -24.288 1.00 0.00 C ATOM 0 HA PRO A 189 15.981 -9.699 -21.093 1.00 0.00 H new ATOM 0 HB2 PRO A 189 18.356 -10.898 -21.892 1.00 0.00 H new ATOM 0 HB3 PRO A 189 16.809 -11.573 -22.364 1.00 0.00 H new ATOM 0 HG2 PRO A 189 18.662 -9.802 -23.944 1.00 0.00 H new ATOM 0 HG3 PRO A 189 17.775 -11.218 -24.474 1.00 0.00 H new ATOM 0 HD2 PRO A 189 16.892 -8.698 -25.011 1.00 0.00 H new ATOM 0 HD3 PRO A 189 15.775 -10.025 -24.761 1.00 0.00 H new ATOM 830 N SER A 190 17.831 -7.310 -21.647 1.00 0.00 N ATOM 831 CA SER A 190 18.754 -6.337 -21.075 1.00 0.00 C ATOM 832 C SER A 190 18.151 -5.677 -19.839 1.00 0.00 C ATOM 833 O SER A 190 17.416 -4.695 -19.942 1.00 0.00 O ATOM 834 CB SER A 190 19.113 -5.271 -22.112 1.00 0.00 C ATOM 835 OG SER A 190 19.963 -4.283 -21.554 1.00 0.00 O ATOM 0 H SER A 190 17.290 -6.963 -22.439 1.00 0.00 H new ATOM 0 HA SER A 190 19.660 -6.865 -20.778 1.00 0.00 H new ATOM 0 HB2 SER A 190 19.605 -5.739 -22.964 1.00 0.00 H new ATOM 0 HB3 SER A 190 18.203 -4.803 -22.487 1.00 0.00 H new ATOM 0 HG SER A 190 20.179 -3.614 -22.237 1.00 0.00 H new ATOM 841 N SER A 191 18.467 -6.225 -18.669 1.00 0.00 N ATOM 842 CA SER A 191 17.953 -5.693 -17.413 1.00 0.00 C ATOM 843 C SER A 191 18.214 -4.193 -17.310 1.00 0.00 C ATOM 844 O SER A 191 19.158 -3.674 -17.905 1.00 0.00 O ATOM 845 CB SER A 191 18.597 -6.416 -16.228 1.00 0.00 C ATOM 846 OG SER A 191 17.940 -7.643 -15.962 1.00 0.00 O ATOM 0 H SER A 191 19.076 -7.037 -18.566 1.00 0.00 H new ATOM 0 HA SER A 191 16.876 -5.859 -17.390 1.00 0.00 H new ATOM 0 HB2 SER A 191 19.650 -6.602 -16.440 1.00 0.00 H new ATOM 0 HB3 SER A 191 18.557 -5.779 -15.344 1.00 0.00 H new ATOM 0 HG SER A 191 18.371 -8.087 -15.202 1.00 0.00 H new ATOM 852 N GLY A 192 17.369 -3.502 -16.551 1.00 0.00 N ATOM 853 CA GLY A 192 17.524 -2.069 -16.384 1.00 0.00 C ATOM 854 C GLY A 192 16.194 -1.344 -16.340 1.00 0.00 C ATOM 855 O GLY A 192 15.154 -1.993 -16.435 1.00 0.00 O ATOM 0 H GLY A 192 16.580 -3.909 -16.049 1.00 0.00 H new ATOM 0 HA2 GLY A 192 18.073 -1.871 -15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 192 18.123 -1.673 -17.204 1.00 0.00 H new TER 859 GLY A 192 HETATM 860 ZN ZN A 330 -6.096 11.853 1.462 1.00 0.00 ZN HETATM 861 ZN ZN A 530 -1.983 -7.537 -4.150 1.00 0.00 ZN