USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=15 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= 0.152 USER MOD Set 1.2: A 162 HIS : no HE2:sc= -7! C(o=-6.9!,f=-7.5!) 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 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.4!) USER MOD Single : A 148 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.31) 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= 0 X(o=0,f=0) USER MOD Single : A 159 LYS NZ :NH3+ 160:sc= 0.113 (180deg=-0.0493) USER MOD Single : A 160 LYS NZ :NH3+ -161:sc= -0.0283 (180deg=-0.28) USER MOD Single : A 165 GLN : amide:sc= -0.0685 K(o=-0.068,f=-1.6!) USER MOD Single : A 166 SER OG : rot 140:sc= -0.0536 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=-0.077) 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 -25.725 18.208 1.447 1.00 0.00 N ATOM 2 CA GLY A 130 -25.483 18.809 0.148 1.00 0.00 C ATOM 3 C GLY A 130 -24.433 18.061 -0.650 1.00 0.00 C ATOM 4 O GLY A 130 -23.314 18.545 -0.823 1.00 0.00 O ATOM 0 HA2 GLY A 130 -26.415 18.834 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -25.164 19.843 0.283 1.00 0.00 H new ATOM 8 N SER A 131 -24.793 16.878 -1.136 1.00 0.00 N ATOM 9 CA SER A 131 -23.872 16.059 -1.915 1.00 0.00 C ATOM 10 C SER A 131 -24.129 16.226 -3.410 1.00 0.00 C ATOM 11 O SER A 131 -25.208 15.904 -3.905 1.00 0.00 O ATOM 12 CB SER A 131 -24.009 14.586 -1.524 1.00 0.00 C ATOM 13 OG SER A 131 -22.826 13.867 -1.823 1.00 0.00 O ATOM 0 H SER A 131 -25.716 16.465 -1.004 1.00 0.00 H new ATOM 0 HA SER A 131 -22.857 16.392 -1.698 1.00 0.00 H new ATOM 0 HB2 SER A 131 -24.226 14.508 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 131 -24.852 14.143 -2.054 1.00 0.00 H new ATOM 0 HG SER A 131 -22.939 12.929 -1.562 1.00 0.00 H new ATOM 19 N SER A 132 -23.128 16.732 -4.123 1.00 0.00 N ATOM 20 CA SER A 132 -23.245 16.946 -5.560 1.00 0.00 C ATOM 21 C SER A 132 -22.972 15.655 -6.326 1.00 0.00 C ATOM 22 O SER A 132 -21.874 15.105 -6.266 1.00 0.00 O ATOM 23 CB SER A 132 -22.274 18.037 -6.016 1.00 0.00 C ATOM 24 OG SER A 132 -22.700 19.315 -5.577 1.00 0.00 O ATOM 0 H SER A 132 -22.227 17.001 -3.729 1.00 0.00 H new ATOM 0 HA SER A 132 -24.265 17.266 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 132 -21.278 17.828 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 132 -22.198 18.029 -7.103 1.00 0.00 H new ATOM 0 HG SER A 132 -22.062 19.994 -5.880 1.00 0.00 H new ATOM 30 N GLY A 133 -23.983 15.176 -7.046 1.00 0.00 N ATOM 31 CA GLY A 133 -23.833 13.954 -7.813 1.00 0.00 C ATOM 32 C GLY A 133 -23.729 12.725 -6.931 1.00 0.00 C ATOM 33 O GLY A 133 -24.211 12.723 -5.799 1.00 0.00 O ATOM 0 H GLY A 133 -24.902 15.613 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -24.684 13.844 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -22.942 14.027 -8.436 1.00 0.00 H new ATOM 37 N SER A 134 -23.098 11.677 -7.452 1.00 0.00 N ATOM 38 CA SER A 134 -22.936 10.435 -6.706 1.00 0.00 C ATOM 39 C SER A 134 -21.464 10.170 -6.404 1.00 0.00 C ATOM 40 O SER A 134 -20.636 10.100 -7.312 1.00 0.00 O ATOM 41 CB SER A 134 -23.526 9.263 -7.493 1.00 0.00 C ATOM 42 OG SER A 134 -24.866 9.525 -7.871 1.00 0.00 O ATOM 0 H SER A 134 -22.691 11.664 -8.387 1.00 0.00 H new ATOM 0 HA SER A 134 -23.470 10.535 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 134 -22.924 9.078 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 134 -23.486 8.358 -6.887 1.00 0.00 H new ATOM 0 HG SER A 134 -25.219 8.762 -8.374 1.00 0.00 H new ATOM 48 N SER A 135 -21.147 10.023 -5.122 1.00 0.00 N ATOM 49 CA SER A 135 -19.775 9.770 -4.698 1.00 0.00 C ATOM 50 C SER A 135 -19.740 8.797 -3.523 1.00 0.00 C ATOM 51 O SER A 135 -20.663 8.754 -2.711 1.00 0.00 O ATOM 52 CB SER A 135 -19.088 11.081 -4.310 1.00 0.00 C ATOM 53 OG SER A 135 -19.783 11.728 -3.259 1.00 0.00 O ATOM 0 H SER A 135 -21.822 10.075 -4.359 1.00 0.00 H new ATOM 0 HA SER A 135 -19.239 9.322 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 135 -18.062 10.880 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 135 -19.038 11.740 -5.177 1.00 0.00 H new ATOM 0 HG SER A 135 -19.324 12.562 -3.028 1.00 0.00 H new ATOM 59 N GLY A 136 -18.666 8.017 -3.441 1.00 0.00 N ATOM 60 CA GLY A 136 -18.530 7.055 -2.363 1.00 0.00 C ATOM 61 C GLY A 136 -17.081 6.764 -2.025 1.00 0.00 C ATOM 62 O GLY A 136 -16.491 7.425 -1.170 1.00 0.00 O ATOM 0 H GLY A 136 -17.889 8.034 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -19.038 7.434 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.028 6.127 -2.643 1.00 0.00 H new ATOM 66 N ASP A 137 -16.506 5.772 -2.696 1.00 0.00 N ATOM 67 CA ASP A 137 -15.117 5.395 -2.462 1.00 0.00 C ATOM 68 C ASP A 137 -14.209 6.620 -2.489 1.00 0.00 C ATOM 69 O ASP A 137 -13.963 7.199 -3.547 1.00 0.00 O ATOM 70 CB ASP A 137 -14.658 4.381 -3.511 1.00 0.00 C ATOM 71 CG ASP A 137 -13.545 3.486 -3.003 1.00 0.00 C ATOM 72 OD1 ASP A 137 -12.743 3.952 -2.167 1.00 0.00 O ATOM 73 OD2 ASP A 137 -13.476 2.319 -3.441 1.00 0.00 O ATOM 0 H ASP A 137 -16.980 5.214 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 137 -15.052 4.939 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -15.506 3.766 -3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -14.317 4.911 -4.400 1.00 0.00 H new ATOM 78 N ARG A 138 -13.716 7.011 -1.318 1.00 0.00 N ATOM 79 CA ARG A 138 -12.837 8.169 -1.207 1.00 0.00 C ATOM 80 C ARG A 138 -11.476 7.767 -0.647 1.00 0.00 C ATOM 81 O ARG A 138 -11.300 6.652 -0.155 1.00 0.00 O ATOM 82 CB ARG A 138 -13.474 9.235 -0.314 1.00 0.00 C ATOM 83 CG ARG A 138 -13.614 8.809 1.138 1.00 0.00 C ATOM 84 CD ARG A 138 -14.153 9.939 2.001 1.00 0.00 C ATOM 85 NE ARG A 138 -15.564 10.204 1.736 1.00 0.00 N ATOM 86 CZ ARG A 138 -16.559 9.611 2.388 1.00 0.00 C ATOM 87 NH1 ARG A 138 -16.297 8.724 3.338 1.00 0.00 N ATOM 88 NH2 ARG A 138 -17.818 9.906 2.090 1.00 0.00 N ATOM 0 H ARG A 138 -13.910 6.543 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 138 -12.692 8.581 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.873 10.143 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.459 9.485 -0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.281 7.950 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -12.644 8.489 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -14.023 9.685 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -13.573 10.844 1.817 1.00 0.00 H new ATOM 0 HE ARG A 138 -15.799 10.881 1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -15.330 8.495 3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -17.062 8.270 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -18.023 10.588 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -18.581 9.450 2.591 1.00 0.00 H new ATOM 102 N CYS A 139 -10.516 8.683 -0.725 1.00 0.00 N ATOM 103 CA CYS A 139 -9.170 8.425 -0.227 1.00 0.00 C ATOM 104 C CYS A 139 -9.216 7.743 1.137 1.00 0.00 C ATOM 105 O CYS A 139 -9.631 8.343 2.129 1.00 0.00 O ATOM 106 CB CYS A 139 -8.381 9.732 -0.130 1.00 0.00 C ATOM 107 SG CYS A 139 -6.851 9.605 0.850 1.00 0.00 S ATOM 0 H CYS A 139 -10.645 9.611 -1.129 1.00 0.00 H new ATOM 0 HA CYS A 139 -8.671 7.758 -0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.129 10.067 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.020 10.498 0.310 1.00 0.00 H new ATOM 112 N TYR A 140 -8.787 6.486 1.178 1.00 0.00 N ATOM 113 CA TYR A 140 -8.781 5.722 2.420 1.00 0.00 C ATOM 114 C TYR A 140 -7.541 6.039 3.250 1.00 0.00 C ATOM 115 O TYR A 140 -6.933 5.150 3.842 1.00 0.00 O ATOM 116 CB TYR A 140 -8.838 4.223 2.120 1.00 0.00 C ATOM 117 CG TYR A 140 -7.651 3.718 1.331 1.00 0.00 C ATOM 118 CD1 TYR A 140 -7.597 3.864 -0.050 1.00 0.00 C ATOM 119 CD2 TYR A 140 -6.583 3.096 1.966 1.00 0.00 C ATOM 120 CE1 TYR A 140 -6.515 3.404 -0.775 1.00 0.00 C ATOM 121 CE2 TYR A 140 -5.496 2.634 1.249 1.00 0.00 C ATOM 122 CZ TYR A 140 -5.467 2.790 -0.121 1.00 0.00 C ATOM 123 OH TYR A 140 -4.387 2.331 -0.840 1.00 0.00 O ATOM 0 H TYR A 140 -8.439 5.975 0.366 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.662 6.005 2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -8.898 3.675 3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -9.751 4.006 1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -8.415 4.345 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -6.603 2.972 3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.490 3.524 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -4.674 2.153 1.758 1.00 0.00 H new ATOM 0 HH TYR A 140 -3.736 1.925 -0.230 1.00 0.00 H new ATOM 133 N ASN A 141 -7.174 7.316 3.287 1.00 0.00 N ATOM 134 CA ASN A 141 -6.006 7.754 4.044 1.00 0.00 C ATOM 135 C ASN A 141 -6.345 8.957 4.918 1.00 0.00 C ATOM 136 O ASN A 141 -6.156 8.927 6.135 1.00 0.00 O ATOM 137 CB ASN A 141 -4.859 8.106 3.094 1.00 0.00 C ATOM 138 CG ASN A 141 -3.522 8.181 3.805 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.383 8.868 4.817 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.531 7.472 3.278 1.00 0.00 N ATOM 0 H ASN A 141 -7.668 8.065 2.802 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.694 6.934 4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.805 7.359 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.067 9.063 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.609 7.483 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.692 6.917 2.438 1.00 0.00 H new ATOM 147 N CYS A 142 -6.847 10.015 4.291 1.00 0.00 N ATOM 148 CA CYS A 142 -7.213 11.229 5.010 1.00 0.00 C ATOM 149 C CYS A 142 -8.713 11.490 4.910 1.00 0.00 C ATOM 150 O CYS A 142 -9.363 11.823 5.900 1.00 0.00 O ATOM 151 CB CYS A 142 -6.438 12.427 4.458 1.00 0.00 C ATOM 152 SG CYS A 142 -6.958 12.945 2.791 1.00 0.00 S ATOM 0 H CYS A 142 -7.010 10.056 3.285 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.956 11.091 6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -6.555 13.268 5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.377 12.180 4.436 1.00 0.00 H new ATOM 157 N GLY A 143 -9.256 11.335 3.706 1.00 0.00 N ATOM 158 CA GLY A 143 -10.675 11.558 3.498 1.00 0.00 C ATOM 159 C GLY A 143 -10.948 12.631 2.462 1.00 0.00 C ATOM 160 O GLY A 143 -11.891 13.409 2.598 1.00 0.00 O ATOM 0 H GLY A 143 -8.739 11.059 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.144 10.626 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.137 11.844 4.443 1.00 0.00 H new ATOM 164 N GLY A 144 -10.118 12.673 1.424 1.00 0.00 N ATOM 165 CA GLY A 144 -10.291 13.664 0.377 1.00 0.00 C ATOM 166 C GLY A 144 -11.267 13.214 -0.691 1.00 0.00 C ATOM 167 O GLY A 144 -11.293 12.041 -1.066 1.00 0.00 O ATOM 0 H GLY A 144 -9.330 12.040 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.644 14.596 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.325 13.875 -0.083 1.00 0.00 H new ATOM 171 N LEU A 145 -12.075 14.147 -1.183 1.00 0.00 N ATOM 172 CA LEU A 145 -13.060 13.840 -2.215 1.00 0.00 C ATOM 173 C LEU A 145 -12.537 14.220 -3.597 1.00 0.00 C ATOM 174 O LEU A 145 -12.729 13.487 -4.567 1.00 0.00 O ATOM 175 CB LEU A 145 -14.370 14.577 -1.932 1.00 0.00 C ATOM 176 CG LEU A 145 -15.069 14.224 -0.619 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.234 15.167 -0.364 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.544 12.779 -0.640 1.00 0.00 C ATOM 0 H LEU A 145 -12.068 15.122 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.244 12.766 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.169 15.648 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.060 14.378 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.352 14.338 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -16.719 14.900 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.867 16.191 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -16.953 15.086 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.039 12.545 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.245 12.638 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.689 12.117 -0.775 1.00 0.00 H new ATOM 190 N ASP A 146 -11.875 15.369 -3.678 1.00 0.00 N ATOM 191 CA ASP A 146 -11.322 15.845 -4.940 1.00 0.00 C ATOM 192 C ASP A 146 -10.193 14.936 -5.416 1.00 0.00 C ATOM 193 O ASP A 146 -10.236 14.403 -6.525 1.00 0.00 O ATOM 194 CB ASP A 146 -10.810 17.278 -4.789 1.00 0.00 C ATOM 195 CG ASP A 146 -9.780 17.412 -3.685 1.00 0.00 C ATOM 196 OD1 ASP A 146 -10.179 17.441 -2.502 1.00 0.00 O ATOM 197 OD2 ASP A 146 -8.574 17.487 -4.003 1.00 0.00 O ATOM 0 H ASP A 146 -11.708 15.988 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.117 15.828 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.372 17.605 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.650 17.941 -4.581 1.00 0.00 H new ATOM 202 N HIS A 147 -9.182 14.764 -4.570 1.00 0.00 N ATOM 203 CA HIS A 147 -8.040 13.920 -4.904 1.00 0.00 C ATOM 204 C HIS A 147 -8.291 12.475 -4.480 1.00 0.00 C ATOM 205 O HIS A 147 -9.155 12.203 -3.647 1.00 0.00 O ATOM 206 CB HIS A 147 -6.774 14.448 -4.230 1.00 0.00 C ATOM 207 CG HIS A 147 -6.663 14.074 -2.784 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.318 14.754 -1.779 1.00 0.00 N ATOM 209 CD2 HIS A 147 -5.970 13.083 -2.176 1.00 0.00 C ATOM 210 CE1 HIS A 147 -7.032 14.198 -0.615 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.216 13.182 -0.829 1.00 0.00 N ATOM 0 H HIS A 147 -9.130 15.198 -3.648 1.00 0.00 H new ATOM 0 HA HIS A 147 -7.904 13.946 -5.985 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -5.903 14.067 -4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.752 15.534 -4.318 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.928 15.560 -1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -5.341 12.351 -2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.402 14.520 0.347 1.00 0.00 H new ATOM 219 N HIS A 148 -7.529 11.553 -5.061 1.00 0.00 N ATOM 220 CA HIS A 148 -7.669 10.136 -4.744 1.00 0.00 C ATOM 221 C HIS A 148 -6.581 9.687 -3.773 1.00 0.00 C ATOM 222 O HIS A 148 -5.575 10.373 -3.592 1.00 0.00 O ATOM 223 CB HIS A 148 -7.607 9.298 -6.021 1.00 0.00 C ATOM 224 CG HIS A 148 -8.272 7.962 -5.893 1.00 0.00 C ATOM 225 ND1 HIS A 148 -9.456 7.773 -5.212 1.00 0.00 N ATOM 226 CD2 HIS A 148 -7.914 6.745 -6.366 1.00 0.00 C ATOM 227 CE1 HIS A 148 -9.796 6.498 -5.270 1.00 0.00 C ATOM 228 NE2 HIS A 148 -8.877 5.853 -5.965 1.00 0.00 N ATOM 0 H HIS A 148 -6.809 11.762 -5.753 1.00 0.00 H new ATOM 0 HA HIS A 148 -8.639 9.989 -4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -8.077 9.853 -6.833 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -6.563 9.150 -6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -7.034 6.518 -6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -10.676 6.058 -4.825 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -8.882 4.854 -6.171 1.00 0.00 H new ATOM 236 N ALA A 149 -6.790 8.531 -3.151 1.00 0.00 N ATOM 237 CA ALA A 149 -5.827 7.990 -2.200 1.00 0.00 C ATOM 238 C ALA A 149 -4.422 7.973 -2.791 1.00 0.00 C ATOM 239 O ALA A 149 -3.492 8.551 -2.228 1.00 0.00 O ATOM 240 CB ALA A 149 -6.239 6.590 -1.771 1.00 0.00 C ATOM 0 H ALA A 149 -7.618 7.951 -3.289 1.00 0.00 H new ATOM 0 HA ALA A 149 -5.816 8.638 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.511 6.198 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -7.221 6.628 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -6.280 5.939 -2.644 1.00 0.00 H new ATOM 246 N LYS A 150 -4.272 7.306 -3.930 1.00 0.00 N ATOM 247 CA LYS A 150 -2.980 7.213 -4.600 1.00 0.00 C ATOM 248 C LYS A 150 -2.360 8.595 -4.779 1.00 0.00 C ATOM 249 O LYS A 150 -1.217 8.827 -4.388 1.00 0.00 O ATOM 250 CB LYS A 150 -3.136 6.532 -5.961 1.00 0.00 C ATOM 251 CG LYS A 150 -3.829 5.182 -5.891 1.00 0.00 C ATOM 252 CD LYS A 150 -3.347 4.250 -6.989 1.00 0.00 C ATOM 253 CE LYS A 150 -4.028 4.550 -8.315 1.00 0.00 C ATOM 254 NZ LYS A 150 -3.625 3.587 -9.377 1.00 0.00 N ATOM 0 H LYS A 150 -5.031 6.821 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 150 -2.317 6.614 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.702 7.187 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.150 6.402 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.643 4.727 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.907 5.320 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.267 4.348 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.544 3.217 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.109 4.514 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.779 5.563 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.111 3.826 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.596 3.639 -9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.886 2.623 -9.088 1.00 0.00 H new ATOM 268 N GLU A 151 -3.123 9.509 -5.371 1.00 0.00 N ATOM 269 CA GLU A 151 -2.646 10.868 -5.600 1.00 0.00 C ATOM 270 C GLU A 151 -2.249 11.534 -4.286 1.00 0.00 C ATOM 271 O GLU A 151 -1.260 12.264 -4.221 1.00 0.00 O ATOM 272 CB GLU A 151 -3.724 11.699 -6.300 1.00 0.00 C ATOM 273 CG GLU A 151 -4.242 11.067 -7.582 1.00 0.00 C ATOM 274 CD GLU A 151 -5.420 11.820 -8.168 1.00 0.00 C ATOM 275 OE1 GLU A 151 -6.125 12.508 -7.400 1.00 0.00 O ATOM 276 OE2 GLU A 151 -5.638 11.721 -9.393 1.00 0.00 O ATOM 0 H GLU A 151 -4.072 9.333 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 151 -1.766 10.814 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -4.559 11.847 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.320 12.685 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.437 11.031 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -4.537 10.037 -7.382 1.00 0.00 H new ATOM 283 N CYS A 152 -3.028 11.278 -3.240 1.00 0.00 N ATOM 284 CA CYS A 152 -2.761 11.853 -1.927 1.00 0.00 C ATOM 285 C CYS A 152 -1.260 11.922 -1.660 1.00 0.00 C ATOM 286 O CYS A 152 -0.480 11.159 -2.231 1.00 0.00 O ATOM 287 CB CYS A 152 -3.447 11.028 -0.837 1.00 0.00 C ATOM 288 SG CYS A 152 -3.681 11.920 0.734 1.00 0.00 S ATOM 0 H CYS A 152 -3.850 10.675 -3.277 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.162 12.866 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.419 10.698 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -2.856 10.131 -0.649 1.00 0.00 H new ATOM 293 N LYS A 153 -0.862 12.840 -0.786 1.00 0.00 N ATOM 294 CA LYS A 153 0.544 13.009 -0.440 1.00 0.00 C ATOM 295 C LYS A 153 0.863 12.330 0.888 1.00 0.00 C ATOM 296 O LYS A 153 1.925 11.728 1.050 1.00 0.00 O ATOM 297 CB LYS A 153 0.896 14.497 -0.362 1.00 0.00 C ATOM 298 CG LYS A 153 0.787 15.218 -1.694 1.00 0.00 C ATOM 299 CD LYS A 153 1.948 14.874 -2.612 1.00 0.00 C ATOM 300 CE LYS A 153 3.211 15.625 -2.220 1.00 0.00 C ATOM 301 NZ LYS A 153 4.424 15.044 -2.859 1.00 0.00 N ATOM 0 H LYS A 153 -1.494 13.479 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 153 1.143 12.540 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.236 14.981 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.913 14.602 0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.152 14.950 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.762 16.295 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.136 13.801 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.684 15.117 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.115 16.672 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 153 3.325 15.602 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.263 15.584 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.531 14.052 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.327 15.089 -3.893 1.00 0.00 H new ATOM 315 N LEU A 154 -0.063 12.430 1.835 1.00 0.00 N ATOM 316 CA LEU A 154 0.118 11.823 3.150 1.00 0.00 C ATOM 317 C LEU A 154 0.731 10.432 3.027 1.00 0.00 C ATOM 318 O LEU A 154 0.645 9.778 1.988 1.00 0.00 O ATOM 319 CB LEU A 154 -1.221 11.741 3.885 1.00 0.00 C ATOM 320 CG LEU A 154 -1.700 13.030 4.553 1.00 0.00 C ATOM 321 CD1 LEU A 154 -3.164 12.914 4.947 1.00 0.00 C ATOM 322 CD2 LEU A 154 -0.842 13.351 5.768 1.00 0.00 C ATOM 0 H LEU A 154 -0.947 12.925 1.717 1.00 0.00 H new ATOM 0 HA LEU A 154 0.801 12.451 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.983 11.418 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -1.147 10.966 4.648 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.601 13.847 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -3.488 13.841 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.767 12.732 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -3.288 12.086 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -1.197 14.272 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -0.909 12.534 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.195 13.478 5.458 1.00 0.00 H new ATOM 334 N PRO A 155 1.363 9.966 4.115 1.00 0.00 N ATOM 335 CA PRO A 155 2.000 8.646 4.155 1.00 0.00 C ATOM 336 C PRO A 155 0.982 7.510 4.140 1.00 0.00 C ATOM 337 O PRO A 155 0.121 7.404 5.013 1.00 0.00 O ATOM 338 CB PRO A 155 2.764 8.661 5.481 1.00 0.00 C ATOM 339 CG PRO A 155 2.031 9.643 6.329 1.00 0.00 C ATOM 340 CD PRO A 155 1.505 10.691 5.388 1.00 0.00 C ATOM 0 HA PRO A 155 2.633 8.472 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 155 2.778 7.673 5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 155 3.802 8.960 5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.217 9.160 6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 155 2.692 10.085 7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 155 0.552 11.095 5.729 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.193 11.531 5.297 1.00 0.00 H new ATOM 348 N PRO A 156 1.081 6.640 3.124 1.00 0.00 N ATOM 349 CA PRO A 156 0.177 5.496 2.972 1.00 0.00 C ATOM 350 C PRO A 156 0.407 4.429 4.037 1.00 0.00 C ATOM 351 O PRO A 156 1.354 3.649 3.952 1.00 0.00 O ATOM 352 CB PRO A 156 0.527 4.950 1.585 1.00 0.00 C ATOM 353 CG PRO A 156 1.934 5.379 1.353 1.00 0.00 C ATOM 354 CD PRO A 156 2.083 6.705 2.047 1.00 0.00 C ATOM 0 HA PRO A 156 -0.868 5.786 3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 156 0.434 3.865 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.140 5.351 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 156 2.636 4.648 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 156 2.143 5.471 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 156 3.090 6.841 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.891 7.537 1.369 1.00 0.00 H new ATOM 362 N GLN A 157 -0.466 4.403 5.039 1.00 0.00 N ATOM 363 CA GLN A 157 -0.357 3.431 6.121 1.00 0.00 C ATOM 364 C GLN A 157 0.150 2.091 5.600 1.00 0.00 C ATOM 365 O GLN A 157 -0.071 1.722 4.446 1.00 0.00 O ATOM 366 CB GLN A 157 -1.711 3.247 6.808 1.00 0.00 C ATOM 367 CG GLN A 157 -2.098 4.406 7.712 1.00 0.00 C ATOM 368 CD GLN A 157 -3.597 4.629 7.766 1.00 0.00 C ATOM 369 OE1 GLN A 157 -4.347 3.772 8.234 1.00 0.00 O ATOM 370 NE2 GLN A 157 -4.041 5.785 7.287 1.00 0.00 N ATOM 0 H GLN A 157 -1.256 5.043 5.124 1.00 0.00 H new ATOM 0 HA GLN A 157 0.361 3.812 6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.481 3.118 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.689 2.330 7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -1.726 4.216 8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -1.612 5.315 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -3.383 6.467 6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -5.040 5.992 7.298 1.00 0.00 H new ATOM 379 N PRO A 158 0.845 1.342 6.469 1.00 0.00 N ATOM 380 CA PRO A 158 1.397 0.030 6.118 1.00 0.00 C ATOM 381 C PRO A 158 0.311 -1.024 5.929 1.00 0.00 C ATOM 382 O PRO A 158 0.594 -2.222 5.891 1.00 0.00 O ATOM 383 CB PRO A 158 2.275 -0.319 7.322 1.00 0.00 C ATOM 384 CG PRO A 158 1.686 0.447 8.456 1.00 0.00 C ATOM 385 CD PRO A 158 1.145 1.718 7.860 1.00 0.00 C ATOM 0 HA PRO A 158 1.937 0.055 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.266 -1.391 7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.313 -0.036 7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.895 -0.123 8.943 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.438 0.661 9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.253 2.060 8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.874 2.527 7.909 1.00 0.00 H new ATOM 393 N LYS A 159 -0.932 -0.571 5.808 1.00 0.00 N ATOM 394 CA LYS A 159 -2.061 -1.474 5.621 1.00 0.00 C ATOM 395 C LYS A 159 -1.716 -2.577 4.625 1.00 0.00 C ATOM 396 O LYS A 159 -0.721 -2.489 3.905 1.00 0.00 O ATOM 397 CB LYS A 159 -3.286 -0.697 5.132 1.00 0.00 C ATOM 398 CG LYS A 159 -3.819 0.299 6.147 1.00 0.00 C ATOM 399 CD LYS A 159 -5.323 0.475 6.020 1.00 0.00 C ATOM 400 CE LYS A 159 -5.692 1.206 4.738 1.00 0.00 C ATOM 401 NZ LYS A 159 -5.888 0.265 3.601 1.00 0.00 N ATOM 0 H LYS A 159 -1.183 0.417 5.836 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.289 -1.934 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.027 -0.166 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.077 -1.403 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.575 -0.041 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.326 1.261 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.807 -0.501 6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.699 1.031 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -6.605 1.779 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -4.907 1.920 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -6.451 0.729 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -4.963 -0.008 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.388 -0.584 3.935 1.00 0.00 H new ATOM 415 N LYS A 160 -2.544 -3.615 4.589 1.00 0.00 N ATOM 416 CA LYS A 160 -2.329 -4.735 3.680 1.00 0.00 C ATOM 417 C LYS A 160 -1.985 -4.240 2.279 1.00 0.00 C ATOM 418 O LYS A 160 -2.069 -3.045 1.993 1.00 0.00 O ATOM 419 CB LYS A 160 -3.575 -5.622 3.627 1.00 0.00 C ATOM 420 CG LYS A 160 -3.969 -6.199 4.976 1.00 0.00 C ATOM 421 CD LYS A 160 -5.103 -7.202 4.844 1.00 0.00 C ATOM 422 CE LYS A 160 -6.447 -6.506 4.699 1.00 0.00 C ATOM 423 NZ LYS A 160 -6.858 -5.823 5.956 1.00 0.00 N ATOM 0 H LYS A 160 -3.371 -3.704 5.179 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.490 -5.320 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -4.408 -5.040 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -3.399 -6.440 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -3.105 -6.683 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.272 -5.392 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -4.927 -7.840 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -5.120 -7.851 5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -6.393 -5.777 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -7.206 -7.237 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -7.882 -5.644 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -6.629 -6.428 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -6.350 -4.920 6.042 1.00 0.00 H new ATOM 437 N CYS A 161 -1.598 -5.166 1.408 1.00 0.00 N ATOM 438 CA CYS A 161 -1.242 -4.825 0.036 1.00 0.00 C ATOM 439 C CYS A 161 -2.487 -4.504 -0.786 1.00 0.00 C ATOM 440 O CYS A 161 -3.328 -5.372 -1.022 1.00 0.00 O ATOM 441 CB CYS A 161 -0.471 -5.975 -0.614 1.00 0.00 C ATOM 442 SG CYS A 161 -0.207 -5.775 -2.406 1.00 0.00 S ATOM 0 H CYS A 161 -1.523 -6.159 1.628 1.00 0.00 H new ATOM 0 HA CYS A 161 -0.607 -3.939 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.498 -6.072 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.011 -6.905 -0.439 1.00 0.00 H new ATOM 447 N HIS A 162 -2.598 -3.252 -1.218 1.00 0.00 N ATOM 448 CA HIS A 162 -3.740 -2.817 -2.014 1.00 0.00 C ATOM 449 C HIS A 162 -3.550 -3.184 -3.483 1.00 0.00 C ATOM 450 O HIS A 162 -3.902 -2.413 -4.377 1.00 0.00 O ATOM 451 CB HIS A 162 -3.939 -1.307 -1.876 1.00 0.00 C ATOM 452 CG HIS A 162 -3.018 -0.500 -2.737 1.00 0.00 C ATOM 453 ND1 HIS A 162 -3.258 0.817 -3.068 1.00 0.00 N ATOM 454 CD2 HIS A 162 -1.849 -0.829 -3.335 1.00 0.00 C ATOM 455 CE1 HIS A 162 -2.278 1.262 -3.834 1.00 0.00 C ATOM 456 NE2 HIS A 162 -1.410 0.283 -4.011 1.00 0.00 N ATOM 0 H HIS A 162 -1.912 -2.521 -1.030 1.00 0.00 H new ATOM 0 HA HIS A 162 -4.627 -3.329 -1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -4.970 -1.060 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -3.791 -1.023 -0.834 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -4.066 1.362 -2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -1.354 -1.788 -3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -2.200 2.257 -4.246 1.00 0.00 H new ATOM 464 N PHE A 163 -2.990 -4.364 -3.725 1.00 0.00 N ATOM 465 CA PHE A 163 -2.751 -4.833 -5.086 1.00 0.00 C ATOM 466 C PHE A 163 -3.207 -6.279 -5.250 1.00 0.00 C ATOM 467 O PHE A 163 -4.025 -6.590 -6.116 1.00 0.00 O ATOM 468 CB PHE A 163 -1.267 -4.710 -5.437 1.00 0.00 C ATOM 469 CG PHE A 163 -0.991 -4.792 -6.911 1.00 0.00 C ATOM 470 CD1 PHE A 163 -1.310 -3.736 -7.749 1.00 0.00 C ATOM 471 CD2 PHE A 163 -0.413 -5.926 -7.459 1.00 0.00 C ATOM 472 CE1 PHE A 163 -1.057 -3.808 -9.106 1.00 0.00 C ATOM 473 CE2 PHE A 163 -0.158 -6.004 -8.815 1.00 0.00 C ATOM 474 CZ PHE A 163 -0.481 -4.944 -9.640 1.00 0.00 C ATOM 0 H PHE A 163 -2.693 -5.014 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 163 -3.330 -4.209 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -0.889 -3.761 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -0.715 -5.500 -4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -1.762 -2.846 -7.337 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -0.159 -6.758 -6.819 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -1.309 -2.977 -9.748 1.00 0.00 H new ATOM 0 HE2 PHE A 163 0.294 -6.893 -9.230 1.00 0.00 H new ATOM 0 HZ PHE A 163 -0.284 -5.004 -10.700 1.00 0.00 H new ATOM 484 N CYS A 164 -2.670 -7.161 -4.414 1.00 0.00 N ATOM 485 CA CYS A 164 -3.019 -8.576 -4.465 1.00 0.00 C ATOM 486 C CYS A 164 -3.463 -9.077 -3.094 1.00 0.00 C ATOM 487 O CYS A 164 -3.381 -10.270 -2.803 1.00 0.00 O ATOM 488 CB CYS A 164 -1.827 -9.399 -4.960 1.00 0.00 C ATOM 489 SG CYS A 164 -0.466 -9.533 -3.757 1.00 0.00 S ATOM 0 H CYS A 164 -1.991 -6.921 -3.692 1.00 0.00 H new ATOM 0 HA CYS A 164 -3.849 -8.695 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -2.172 -10.401 -5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -1.445 -8.950 -5.877 1.00 0.00 H new ATOM 494 N GLN A 165 -3.933 -8.157 -2.258 1.00 0.00 N ATOM 495 CA GLN A 165 -4.389 -8.506 -0.918 1.00 0.00 C ATOM 496 C GLN A 165 -3.506 -9.590 -0.307 1.00 0.00 C ATOM 497 O GLN A 165 -4.003 -10.592 0.206 1.00 0.00 O ATOM 498 CB GLN A 165 -5.843 -8.980 -0.958 1.00 0.00 C ATOM 499 CG GLN A 165 -6.840 -7.860 -1.210 1.00 0.00 C ATOM 500 CD GLN A 165 -8.134 -8.358 -1.823 1.00 0.00 C ATOM 501 OE1 GLN A 165 -8.322 -9.560 -2.013 1.00 0.00 O ATOM 502 NE2 GLN A 165 -9.036 -7.434 -2.135 1.00 0.00 N ATOM 0 H GLN A 165 -4.008 -7.165 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.322 -7.614 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -5.950 -9.733 -1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -6.085 -9.465 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -7.059 -7.355 -0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -6.390 -7.120 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -8.838 -6.449 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -9.926 -7.710 -2.549 1.00 0.00 H new ATOM 511 N SER A 166 -2.195 -9.380 -0.365 1.00 0.00 N ATOM 512 CA SER A 166 -1.242 -10.341 0.179 1.00 0.00 C ATOM 513 C SER A 166 -0.837 -9.960 1.599 1.00 0.00 C ATOM 514 O SER A 166 0.223 -9.372 1.817 1.00 0.00 O ATOM 515 CB SER A 166 -0.002 -10.422 -0.713 1.00 0.00 C ATOM 516 OG SER A 166 1.064 -11.075 -0.046 1.00 0.00 O ATOM 0 H SER A 166 -1.768 -8.553 -0.783 1.00 0.00 H new ATOM 0 HA SER A 166 -1.725 -11.318 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 166 -0.244 -10.959 -1.630 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.307 -9.418 -1.003 1.00 0.00 H new ATOM 0 HG SER A 166 1.532 -11.663 -0.675 1.00 0.00 H new ATOM 522 N ILE A 167 -1.688 -10.299 2.561 1.00 0.00 N ATOM 523 CA ILE A 167 -1.419 -9.993 3.961 1.00 0.00 C ATOM 524 C ILE A 167 0.040 -10.262 4.312 1.00 0.00 C ATOM 525 O ILE A 167 0.577 -9.691 5.261 1.00 0.00 O ATOM 526 CB ILE A 167 -2.321 -10.816 4.900 1.00 0.00 C ATOM 527 CG1 ILE A 167 -2.094 -12.312 4.679 1.00 0.00 C ATOM 528 CG2 ILE A 167 -3.783 -10.458 4.679 1.00 0.00 C ATOM 529 CD1 ILE A 167 -2.642 -13.178 5.792 1.00 0.00 C ATOM 0 H ILE A 167 -2.569 -10.785 2.397 1.00 0.00 H new ATOM 0 HA ILE A 167 -1.634 -8.933 4.099 1.00 0.00 H new ATOM 0 HB ILE A 167 -2.061 -10.577 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -2.559 -12.607 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -1.025 -12.498 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.407 -11.048 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.933 -9.398 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -4.058 -10.671 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -2.445 -14.226 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -2.159 -12.911 6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -3.717 -13.021 5.879 1.00 0.00 H new ATOM 541 N SER A 168 0.678 -11.134 3.537 1.00 0.00 N ATOM 542 CA SER A 168 2.076 -11.480 3.767 1.00 0.00 C ATOM 543 C SER A 168 2.981 -10.275 3.526 1.00 0.00 C ATOM 544 O SER A 168 3.571 -9.731 4.460 1.00 0.00 O ATOM 545 CB SER A 168 2.494 -12.635 2.855 1.00 0.00 C ATOM 546 OG SER A 168 3.890 -12.866 2.930 1.00 0.00 O ATOM 0 H SER A 168 0.249 -11.613 2.745 1.00 0.00 H new ATOM 0 HA SER A 168 2.181 -11.790 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 168 1.957 -13.540 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 168 2.215 -12.409 1.826 1.00 0.00 H new ATOM 0 HG SER A 168 4.131 -13.610 2.339 1.00 0.00 H new ATOM 552 N HIS A 169 3.086 -9.863 2.267 1.00 0.00 N ATOM 553 CA HIS A 169 3.918 -8.722 1.902 1.00 0.00 C ATOM 554 C HIS A 169 3.069 -7.468 1.716 1.00 0.00 C ATOM 555 O HIS A 169 1.847 -7.508 1.855 1.00 0.00 O ATOM 556 CB HIS A 169 4.696 -9.021 0.620 1.00 0.00 C ATOM 557 CG HIS A 169 3.831 -9.101 -0.600 1.00 0.00 C ATOM 558 ND1 HIS A 169 3.830 -10.186 -1.452 1.00 0.00 N ATOM 559 CD2 HIS A 169 2.933 -8.225 -1.109 1.00 0.00 C ATOM 560 CE1 HIS A 169 2.971 -9.972 -2.433 1.00 0.00 C ATOM 561 NE2 HIS A 169 2.413 -8.789 -2.248 1.00 0.00 N ATOM 0 H HIS A 169 2.605 -10.302 1.482 1.00 0.00 H new ATOM 0 HA HIS A 169 4.624 -8.544 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.448 -8.246 0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 169 5.229 -9.964 0.740 1.00 0.00 H new ATOM 0 HD1 HIS A 169 4.403 -11.023 -1.342 1.00 0.00 H new ATOM 0 HD2 HIS A 169 2.674 -7.261 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.761 -10.649 -3.248 1.00 0.00 H new ATOM 569 N MET A 170 3.726 -6.356 1.403 1.00 0.00 N ATOM 570 CA MET A 170 3.031 -5.091 1.198 1.00 0.00 C ATOM 571 C MET A 170 3.080 -4.675 -0.269 1.00 0.00 C ATOM 572 O MET A 170 3.692 -5.351 -1.096 1.00 0.00 O ATOM 573 CB MET A 170 3.650 -3.997 2.071 1.00 0.00 C ATOM 574 CG MET A 170 3.263 -4.099 3.537 1.00 0.00 C ATOM 575 SD MET A 170 3.854 -5.618 4.308 1.00 0.00 S ATOM 576 CE MET A 170 3.048 -5.523 5.905 1.00 0.00 C ATOM 0 H MET A 170 4.738 -6.305 1.286 1.00 0.00 H new ATOM 0 HA MET A 170 1.988 -5.228 1.484 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.736 -4.046 1.986 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.344 -3.023 1.690 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.667 -3.242 4.076 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.178 -4.049 3.627 1.00 0.00 H new ATOM 0 HE1 MET A 170 3.316 -6.396 6.500 1.00 0.00 H new ATOM 0 HE2 MET A 170 3.369 -4.619 6.422 1.00 0.00 H new ATOM 0 HE3 MET A 170 1.967 -5.497 5.766 1.00 0.00 H new ATOM 586 N VAL A 171 2.430 -3.559 -0.585 1.00 0.00 N ATOM 587 CA VAL A 171 2.401 -3.053 -1.953 1.00 0.00 C ATOM 588 C VAL A 171 3.754 -2.478 -2.355 1.00 0.00 C ATOM 589 O VAL A 171 4.136 -2.522 -3.524 1.00 0.00 O ATOM 590 CB VAL A 171 1.322 -1.968 -2.126 1.00 0.00 C ATOM 591 CG1 VAL A 171 1.693 -0.716 -1.346 1.00 0.00 C ATOM 592 CG2 VAL A 171 1.120 -1.648 -3.600 1.00 0.00 C ATOM 0 H VAL A 171 1.917 -2.988 0.087 1.00 0.00 H new ATOM 0 HA VAL A 171 2.163 -3.898 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 171 0.381 -2.349 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 171 0.919 0.039 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 171 1.782 -0.960 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 171 2.645 -0.329 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 171 0.354 -0.879 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 171 2.056 -1.287 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 171 0.805 -2.548 -4.128 1.00 0.00 H new ATOM 602 N ALA A 172 4.476 -1.939 -1.378 1.00 0.00 N ATOM 603 CA ALA A 172 5.788 -1.357 -1.630 1.00 0.00 C ATOM 604 C ALA A 172 6.808 -2.434 -1.983 1.00 0.00 C ATOM 605 O ALA A 172 7.761 -2.183 -2.721 1.00 0.00 O ATOM 606 CB ALA A 172 6.255 -0.562 -0.419 1.00 0.00 C ATOM 0 H ALA A 172 4.174 -1.893 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 172 5.701 -0.683 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 172 7.236 -0.133 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.545 0.239 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 172 6.319 -1.221 0.447 1.00 0.00 H new ATOM 612 N SER A 173 6.602 -3.635 -1.450 1.00 0.00 N ATOM 613 CA SER A 173 7.507 -4.749 -1.706 1.00 0.00 C ATOM 614 C SER A 173 6.939 -5.675 -2.778 1.00 0.00 C ATOM 615 O SER A 173 7.684 -6.342 -3.497 1.00 0.00 O ATOM 616 CB SER A 173 7.757 -5.536 -0.418 1.00 0.00 C ATOM 617 OG SER A 173 8.238 -4.689 0.612 1.00 0.00 O ATOM 0 H SER A 173 5.817 -3.861 -0.839 1.00 0.00 H new ATOM 0 HA SER A 173 8.452 -4.342 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 173 6.833 -6.016 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 173 8.480 -6.330 -0.608 1.00 0.00 H new ATOM 0 HG SER A 173 8.388 -5.215 1.425 1.00 0.00 H new ATOM 623 N CYS A 174 5.614 -5.711 -2.879 1.00 0.00 N ATOM 624 CA CYS A 174 4.944 -6.554 -3.861 1.00 0.00 C ATOM 625 C CYS A 174 5.757 -6.637 -5.150 1.00 0.00 C ATOM 626 O CYS A 174 6.122 -5.626 -5.750 1.00 0.00 O ATOM 627 CB CYS A 174 3.546 -6.010 -4.161 1.00 0.00 C ATOM 628 SG CYS A 174 2.462 -7.187 -5.033 1.00 0.00 S ATOM 0 H CYS A 174 4.983 -5.165 -2.292 1.00 0.00 H new ATOM 0 HA CYS A 174 4.854 -7.557 -3.443 1.00 0.00 H new ATOM 0 HB2 CYS A 174 3.071 -5.721 -3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 174 3.641 -5.106 -4.762 1.00 0.00 H new ATOM 633 N PRO A 175 6.047 -7.872 -5.588 1.00 0.00 N ATOM 634 CA PRO A 175 6.818 -8.118 -6.810 1.00 0.00 C ATOM 635 C PRO A 175 6.042 -7.748 -8.069 1.00 0.00 C ATOM 636 O PRO A 175 6.588 -7.141 -8.992 1.00 0.00 O ATOM 637 CB PRO A 175 7.079 -9.625 -6.767 1.00 0.00 C ATOM 638 CG PRO A 175 5.969 -10.179 -5.942 1.00 0.00 C ATOM 639 CD PRO A 175 5.643 -9.122 -4.923 1.00 0.00 C ATOM 0 HA PRO A 175 7.725 -7.515 -6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 175 7.080 -10.055 -7.769 1.00 0.00 H new ATOM 0 HB3 PRO A 175 8.050 -9.846 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.100 -10.407 -6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 175 6.269 -11.108 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 175 4.582 -9.119 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 175 6.190 -9.278 -3.993 1.00 0.00 H new ATOM 647 N LEU A 176 4.766 -8.116 -8.102 1.00 0.00 N ATOM 648 CA LEU A 176 3.914 -7.822 -9.249 1.00 0.00 C ATOM 649 C LEU A 176 3.974 -6.340 -9.606 1.00 0.00 C ATOM 650 O LEU A 176 3.924 -5.970 -10.780 1.00 0.00 O ATOM 651 CB LEU A 176 2.469 -8.229 -8.954 1.00 0.00 C ATOM 652 CG LEU A 176 2.266 -9.652 -8.435 1.00 0.00 C ATOM 653 CD1 LEU A 176 0.915 -9.782 -7.747 1.00 0.00 C ATOM 654 CD2 LEU A 176 2.386 -10.657 -9.571 1.00 0.00 C ATOM 0 H LEU A 176 4.298 -8.619 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 176 4.280 -8.397 -10.099 1.00 0.00 H new ATOM 0 HB2 LEU A 176 2.059 -7.534 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 176 1.885 -8.110 -9.867 1.00 0.00 H new ATOM 0 HG LEU A 176 3.046 -9.866 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 176 0.788 -10.802 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 176 0.866 -9.089 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 176 0.121 -9.548 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 176 2.239 -11.665 -9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 176 1.629 -10.445 -10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 176 3.377 -10.582 -10.020 1.00 0.00 H new ATOM 666 N LYS A 177 4.083 -5.495 -8.587 1.00 0.00 N ATOM 667 CA LYS A 177 4.154 -4.053 -8.792 1.00 0.00 C ATOM 668 C LYS A 177 5.589 -3.611 -9.056 1.00 0.00 C ATOM 669 O LYS A 177 5.864 -2.911 -10.030 1.00 0.00 O ATOM 670 CB LYS A 177 3.598 -3.316 -7.571 1.00 0.00 C ATOM 671 CG LYS A 177 3.268 -1.858 -7.840 1.00 0.00 C ATOM 672 CD LYS A 177 2.812 -1.147 -6.576 1.00 0.00 C ATOM 673 CE LYS A 177 2.309 0.256 -6.876 1.00 0.00 C ATOM 674 NZ LYS A 177 0.926 0.244 -7.427 1.00 0.00 N ATOM 0 H LYS A 177 4.124 -5.784 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 177 3.550 -3.805 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 177 2.698 -3.826 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 177 4.325 -3.372 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 177 4.145 -1.354 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 177 2.486 -1.795 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 177 2.020 -1.724 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 177 3.639 -1.094 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 177 2.331 0.852 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 177 2.979 0.737 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.620 1.219 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.909 -0.304 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 0.281 -0.192 -6.737 1.00 0.00 H new ATOM 688 N ALA A 178 6.502 -4.025 -8.183 1.00 0.00 N ATOM 689 CA ALA A 178 7.909 -3.674 -8.324 1.00 0.00 C ATOM 690 C ALA A 178 8.459 -4.142 -9.667 1.00 0.00 C ATOM 691 O ALA A 178 8.861 -3.330 -10.500 1.00 0.00 O ATOM 692 CB ALA A 178 8.719 -4.272 -7.183 1.00 0.00 C ATOM 0 H ALA A 178 6.291 -4.604 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 178 7.993 -2.588 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 178 9.768 -4.002 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 178 8.350 -3.886 -6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 178 8.620 -5.357 -7.196 1.00 0.00 H new ATOM 698 N GLN A 179 8.475 -5.455 -9.870 1.00 0.00 N ATOM 699 CA GLN A 179 8.977 -6.030 -11.113 1.00 0.00 C ATOM 700 C GLN A 179 7.942 -5.909 -12.226 1.00 0.00 C ATOM 701 O GLN A 179 7.141 -6.818 -12.442 1.00 0.00 O ATOM 702 CB GLN A 179 9.352 -7.499 -10.905 1.00 0.00 C ATOM 703 CG GLN A 179 10.244 -8.060 -12.001 1.00 0.00 C ATOM 704 CD GLN A 179 10.459 -9.554 -11.869 1.00 0.00 C ATOM 705 OE1 GLN A 179 9.933 -10.191 -10.956 1.00 0.00 O ATOM 706 NE2 GLN A 179 11.237 -10.123 -12.784 1.00 0.00 N ATOM 0 H GLN A 179 8.146 -6.141 -9.190 1.00 0.00 H new ATOM 0 HA GLN A 179 9.867 -5.474 -11.408 1.00 0.00 H new ATOM 0 HB2 GLN A 179 9.859 -7.604 -9.946 1.00 0.00 H new ATOM 0 HB3 GLN A 179 8.440 -8.094 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 179 9.799 -7.845 -12.972 1.00 0.00 H new ATOM 0 HG3 GLN A 179 11.209 -7.554 -11.974 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.653 -9.557 -13.524 1.00 0.00 H new ATOM 0 HE22 GLN A 179 11.418 -11.126 -12.747 1.00 0.00 H new ATOM 715 N GLN A 180 7.966 -4.781 -12.929 1.00 0.00 N ATOM 716 CA GLN A 180 7.028 -4.542 -14.020 1.00 0.00 C ATOM 717 C GLN A 180 7.679 -4.826 -15.369 1.00 0.00 C ATOM 718 O GLN A 180 7.050 -5.383 -16.268 1.00 0.00 O ATOM 719 CB GLN A 180 6.522 -3.099 -13.978 1.00 0.00 C ATOM 720 CG GLN A 180 7.628 -2.063 -14.099 1.00 0.00 C ATOM 721 CD GLN A 180 7.093 -0.666 -14.348 1.00 0.00 C ATOM 722 OE1 GLN A 180 6.407 -0.092 -13.503 1.00 0.00 O ATOM 723 NE2 GLN A 180 7.407 -0.111 -15.513 1.00 0.00 N ATOM 0 H GLN A 180 8.624 -4.019 -12.763 1.00 0.00 H new ATOM 0 HA GLN A 180 6.183 -5.220 -13.895 1.00 0.00 H new ATOM 0 HB2 GLN A 180 5.806 -2.950 -14.786 1.00 0.00 H new ATOM 0 HB3 GLN A 180 5.985 -2.938 -13.043 1.00 0.00 H new ATOM 0 HG2 GLN A 180 8.222 -2.063 -13.185 1.00 0.00 H new ATOM 0 HG3 GLN A 180 8.296 -2.343 -14.914 1.00 0.00 H new ATOM 0 HE21 GLN A 180 7.979 -0.624 -16.184 1.00 0.00 H new ATOM 0 HE22 GLN A 180 7.077 0.828 -15.736 1.00 0.00 H new ATOM 732 N GLY A 181 8.943 -4.439 -15.504 1.00 0.00 N ATOM 733 CA GLY A 181 9.658 -4.661 -16.748 1.00 0.00 C ATOM 734 C GLY A 181 11.103 -5.059 -16.523 1.00 0.00 C ATOM 735 O GLY A 181 11.546 -5.257 -15.391 1.00 0.00 O ATOM 0 H GLY A 181 9.485 -3.976 -14.775 1.00 0.00 H new ATOM 0 HA2 GLY A 181 9.154 -5.441 -17.319 1.00 0.00 H new ATOM 0 HA3 GLY A 181 9.624 -3.753 -17.350 1.00 0.00 H new ATOM 739 N PRO A 182 11.864 -5.185 -17.620 1.00 0.00 N ATOM 740 CA PRO A 182 13.279 -5.565 -17.563 1.00 0.00 C ATOM 741 C PRO A 182 14.151 -4.467 -16.965 1.00 0.00 C ATOM 742 O PRO A 182 14.999 -4.729 -16.113 1.00 0.00 O ATOM 743 CB PRO A 182 13.643 -5.797 -19.032 1.00 0.00 C ATOM 744 CG PRO A 182 12.677 -4.961 -19.798 1.00 0.00 C ATOM 745 CD PRO A 182 11.402 -4.965 -19.001 1.00 0.00 C ATOM 0 HA PRO A 182 13.442 -6.435 -16.926 1.00 0.00 H new ATOM 0 HB2 PRO A 182 14.672 -5.501 -19.236 1.00 0.00 H new ATOM 0 HB3 PRO A 182 13.555 -6.850 -19.300 1.00 0.00 H new ATOM 0 HG2 PRO A 182 13.054 -3.946 -19.925 1.00 0.00 H new ATOM 0 HG3 PRO A 182 12.515 -5.368 -20.796 1.00 0.00 H new ATOM 0 HD2 PRO A 182 10.864 -4.022 -19.099 1.00 0.00 H new ATOM 0 HD3 PRO A 182 10.725 -5.754 -19.329 1.00 0.00 H new ATOM 753 N SER A 183 13.935 -3.235 -17.417 1.00 0.00 N ATOM 754 CA SER A 183 14.705 -2.097 -16.928 1.00 0.00 C ATOM 755 C SER A 183 13.793 -1.071 -16.262 1.00 0.00 C ATOM 756 O SER A 183 12.671 -0.837 -16.711 1.00 0.00 O ATOM 757 CB SER A 183 15.473 -1.442 -18.078 1.00 0.00 C ATOM 758 OG SER A 183 16.187 -0.303 -17.630 1.00 0.00 O ATOM 0 H SER A 183 13.234 -3.000 -18.120 1.00 0.00 H new ATOM 0 HA SER A 183 15.416 -2.462 -16.187 1.00 0.00 H new ATOM 0 HB2 SER A 183 16.166 -2.162 -18.513 1.00 0.00 H new ATOM 0 HB3 SER A 183 14.778 -1.153 -18.866 1.00 0.00 H new ATOM 0 HG SER A 183 16.671 0.097 -18.383 1.00 0.00 H new ATOM 764 N ALA A 184 14.284 -0.461 -15.188 1.00 0.00 N ATOM 765 CA ALA A 184 13.515 0.542 -14.461 1.00 0.00 C ATOM 766 C ALA A 184 13.855 1.949 -14.941 1.00 0.00 C ATOM 767 O ALA A 184 15.000 2.387 -14.843 1.00 0.00 O ATOM 768 CB ALA A 184 13.767 0.417 -12.965 1.00 0.00 C ATOM 0 H ALA A 184 15.210 -0.644 -14.802 1.00 0.00 H new ATOM 0 HA ALA A 184 12.457 0.366 -14.657 1.00 0.00 H new ATOM 0 HB1 ALA A 184 13.187 1.172 -12.434 1.00 0.00 H new ATOM 0 HB2 ALA A 184 13.467 -0.575 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 184 14.828 0.565 -12.761 1.00 0.00 H new ATOM 774 N GLN A 185 12.852 2.650 -15.460 1.00 0.00 N ATOM 775 CA GLN A 185 13.046 4.007 -15.957 1.00 0.00 C ATOM 776 C GLN A 185 12.536 5.033 -14.950 1.00 0.00 C ATOM 777 O GLN A 185 11.333 5.140 -14.714 1.00 0.00 O ATOM 778 CB GLN A 185 12.331 4.190 -17.296 1.00 0.00 C ATOM 779 CG GLN A 185 12.653 5.507 -17.983 1.00 0.00 C ATOM 780 CD GLN A 185 11.701 5.820 -19.121 1.00 0.00 C ATOM 781 OE1 GLN A 185 10.482 5.816 -18.945 1.00 0.00 O ATOM 782 NE2 GLN A 185 12.253 6.094 -20.297 1.00 0.00 N ATOM 0 H GLN A 185 11.898 2.301 -15.547 1.00 0.00 H new ATOM 0 HA GLN A 185 14.115 4.165 -16.100 1.00 0.00 H new ATOM 0 HB2 GLN A 185 12.603 3.368 -17.959 1.00 0.00 H new ATOM 0 HB3 GLN A 185 11.255 4.127 -17.135 1.00 0.00 H new ATOM 0 HG2 GLN A 185 12.615 6.313 -17.250 1.00 0.00 H new ATOM 0 HG3 GLN A 185 13.673 5.473 -18.367 1.00 0.00 H new ATOM 0 HE21 GLN A 185 13.268 6.086 -20.398 1.00 0.00 H new ATOM 0 HE22 GLN A 185 11.662 6.312 -21.099 1.00 0.00 H new ATOM 791 N GLY A 186 13.459 5.786 -14.360 1.00 0.00 N ATOM 792 CA GLY A 186 13.083 6.793 -13.385 1.00 0.00 C ATOM 793 C GLY A 186 12.213 7.881 -13.983 1.00 0.00 C ATOM 794 O GLY A 186 12.633 8.588 -14.899 1.00 0.00 O ATOM 0 H GLY A 186 14.461 5.717 -14.540 1.00 0.00 H new ATOM 0 HA2 GLY A 186 12.550 6.317 -12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 186 13.983 7.242 -12.965 1.00 0.00 H new ATOM 798 N SER A 187 10.996 8.015 -13.465 1.00 0.00 N ATOM 799 CA SER A 187 10.062 9.021 -13.956 1.00 0.00 C ATOM 800 C SER A 187 9.508 9.856 -12.806 1.00 0.00 C ATOM 801 O SER A 187 9.181 9.330 -11.743 1.00 0.00 O ATOM 802 CB SER A 187 8.915 8.354 -14.717 1.00 0.00 C ATOM 803 OG SER A 187 9.394 7.653 -15.851 1.00 0.00 O ATOM 0 H SER A 187 10.634 7.439 -12.705 1.00 0.00 H new ATOM 0 HA SER A 187 10.602 9.682 -14.634 1.00 0.00 H new ATOM 0 HB2 SER A 187 8.388 7.666 -14.056 1.00 0.00 H new ATOM 0 HB3 SER A 187 8.195 9.110 -15.030 1.00 0.00 H new ATOM 0 HG SER A 187 8.641 7.234 -16.319 1.00 0.00 H new ATOM 809 N GLY A 188 9.404 11.163 -13.028 1.00 0.00 N ATOM 810 CA GLY A 188 8.889 12.051 -12.002 1.00 0.00 C ATOM 811 C GLY A 188 8.099 13.208 -12.580 1.00 0.00 C ATOM 812 O GLY A 188 7.706 13.198 -13.746 1.00 0.00 O ATOM 0 H GLY A 188 9.667 11.622 -13.900 1.00 0.00 H new ATOM 0 HA2 GLY A 188 8.253 11.485 -11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 188 9.719 12.440 -11.413 1.00 0.00 H new ATOM 816 N PRO A 189 7.854 14.235 -11.752 1.00 0.00 N ATOM 817 CA PRO A 189 7.103 15.424 -12.165 1.00 0.00 C ATOM 818 C PRO A 189 7.877 16.282 -13.159 1.00 0.00 C ATOM 819 O PRO A 189 7.392 17.321 -13.606 1.00 0.00 O ATOM 820 CB PRO A 189 6.891 16.183 -10.853 1.00 0.00 C ATOM 821 CG PRO A 189 8.011 15.744 -9.975 1.00 0.00 C ATOM 822 CD PRO A 189 8.293 14.314 -10.348 1.00 0.00 C ATOM 0 HA PRO A 189 6.176 15.164 -12.677 1.00 0.00 H new ATOM 0 HB2 PRO A 189 6.912 17.261 -11.012 1.00 0.00 H new ATOM 0 HB3 PRO A 189 5.924 15.945 -10.410 1.00 0.00 H new ATOM 0 HG2 PRO A 189 8.892 16.368 -10.125 1.00 0.00 H new ATOM 0 HG3 PRO A 189 7.738 15.826 -8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 189 9.351 14.072 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 189 7.743 13.618 -9.715 1.00 0.00 H new ATOM 830 N SER A 190 9.084 15.841 -13.501 1.00 0.00 N ATOM 831 CA SER A 190 9.927 16.572 -14.439 1.00 0.00 C ATOM 832 C SER A 190 9.979 15.862 -15.789 1.00 0.00 C ATOM 833 O SER A 190 10.416 14.715 -15.883 1.00 0.00 O ATOM 834 CB SER A 190 11.341 16.724 -13.876 1.00 0.00 C ATOM 835 OG SER A 190 12.182 17.412 -14.786 1.00 0.00 O ATOM 0 H SER A 190 9.499 14.981 -13.142 1.00 0.00 H new ATOM 0 HA SER A 190 9.493 17.561 -14.584 1.00 0.00 H new ATOM 0 HB2 SER A 190 11.303 17.265 -12.931 1.00 0.00 H new ATOM 0 HB3 SER A 190 11.759 15.740 -13.663 1.00 0.00 H new ATOM 0 HG SER A 190 13.079 17.497 -14.402 1.00 0.00 H new ATOM 841 N SER A 191 9.530 16.553 -16.832 1.00 0.00 N ATOM 842 CA SER A 191 9.521 15.989 -18.176 1.00 0.00 C ATOM 843 C SER A 191 10.022 17.007 -19.196 1.00 0.00 C ATOM 844 O SER A 191 9.875 18.214 -19.009 1.00 0.00 O ATOM 845 CB SER A 191 8.111 15.527 -18.549 1.00 0.00 C ATOM 846 OG SER A 191 7.732 14.388 -17.797 1.00 0.00 O ATOM 0 H SER A 191 9.168 17.505 -16.772 1.00 0.00 H new ATOM 0 HA SER A 191 10.192 15.130 -18.187 1.00 0.00 H new ATOM 0 HB2 SER A 191 7.402 16.336 -18.373 1.00 0.00 H new ATOM 0 HB3 SER A 191 8.071 15.294 -19.613 1.00 0.00 H new ATOM 0 HG SER A 191 6.827 14.114 -18.053 1.00 0.00 H new ATOM 852 N GLY A 192 10.615 16.510 -20.278 1.00 0.00 N ATOM 853 CA GLY A 192 11.128 17.389 -21.312 1.00 0.00 C ATOM 854 C GLY A 192 10.027 17.983 -22.168 1.00 0.00 C ATOM 855 O GLY A 192 8.925 17.436 -22.190 1.00 0.00 O ATOM 0 H GLY A 192 10.749 15.515 -20.456 1.00 0.00 H new ATOM 0 HA2 GLY A 192 11.699 18.194 -20.850 1.00 0.00 H new ATOM 0 HA3 GLY A 192 11.818 16.833 -21.947 1.00 0.00 H new TER 859 GLY A 192 HETATM 860 ZN ZN A 330 -5.994 11.761 1.038 1.00 0.00 ZN HETATM 861 ZN ZN A 530 0.788 -7.593 -3.467 1.00 0.00 ZN