USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 141 HIS HD1 : A 141 HIS ND1 : A 195 ZNZN :(H bumps) USER MOD Set 1.1: A 121 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -157:sc= -0.178 (180deg=-0.962) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.415) USER MOD Single : A 142 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0214) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00976) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot -52:sc= 0.619 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -144:sc=-0.00622 (180deg=-1.07) USER MOD Single : A 167 TYR OH : rot 150:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=0.0033) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 117 -5.713 -11.631 -2.975 1.00 0.00 N ATOM 2 CA ALA A 117 -4.453 -12.359 -3.258 1.00 0.00 C ATOM 3 C ALA A 117 -3.831 -11.864 -4.527 1.00 0.00 C ATOM 4 O ALA A 117 -4.461 -11.871 -5.585 1.00 0.00 O ATOM 5 CB ALA A 117 -4.718 -13.873 -3.387 1.00 0.00 C ATOM 0 HA ALA A 117 -3.772 -12.179 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -3.781 -14.390 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.141 -14.249 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.419 -14.051 -4.202 1.00 0.00 H new ATOM 11 N GLU A 118 -2.563 -11.408 -4.434 1.00 0.00 N ATOM 12 CA GLU A 118 -1.822 -10.907 -5.561 1.00 0.00 C ATOM 13 C GLU A 118 -0.391 -11.072 -5.124 1.00 0.00 C ATOM 14 O GLU A 118 -0.003 -12.154 -4.683 1.00 0.00 O ATOM 15 CB GLU A 118 -2.190 -9.436 -5.915 1.00 0.00 C ATOM 16 CG GLU A 118 -1.742 -8.965 -7.313 1.00 0.00 C ATOM 17 CD GLU A 118 -2.146 -7.503 -7.504 1.00 0.00 C ATOM 18 OE1 GLU A 118 -1.627 -6.642 -6.743 1.00 0.00 O ATOM 19 OE2 GLU A 118 -2.976 -7.228 -8.410 1.00 0.00 O ATOM 0 H GLU A 118 -2.041 -11.386 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.040 -11.440 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.271 -9.321 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.746 -8.778 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.662 -9.073 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.201 -9.585 -8.083 1.00 0.00 H new ATOM 26 N LYS A 119 0.430 -10.003 -5.219 1.00 0.00 N ATOM 27 CA LYS A 119 1.769 -9.986 -4.706 1.00 0.00 C ATOM 28 C LYS A 119 1.890 -8.850 -3.747 1.00 0.00 C ATOM 29 O LYS A 119 1.128 -7.884 -3.780 1.00 0.00 O ATOM 30 CB LYS A 119 2.879 -9.906 -5.748 1.00 0.00 C ATOM 31 CG LYS A 119 2.972 -11.146 -6.652 1.00 0.00 C ATOM 32 CD LYS A 119 4.190 -11.169 -7.594 1.00 0.00 C ATOM 33 CE LYS A 119 5.492 -11.723 -6.977 1.00 0.00 C ATOM 34 NZ LYS A 119 6.079 -10.823 -5.954 1.00 0.00 N ATOM 0 H LYS A 119 0.154 -9.128 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 119 1.919 -10.953 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.718 -9.026 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.833 -9.766 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.000 -12.036 -6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.065 -11.209 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.940 -11.767 -8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.377 -10.154 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.289 -12.694 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.222 -11.887 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.096 -11.021 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.944 -9.833 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.609 -10.983 -5.040 1.00 0.00 H new ATOM 48 N CYS A 120 2.890 -8.983 -2.855 1.00 0.00 N ATOM 49 CA CYS A 120 3.286 -8.016 -1.880 1.00 0.00 C ATOM 50 C CYS A 120 4.461 -7.284 -2.462 1.00 0.00 C ATOM 51 O CYS A 120 5.427 -7.900 -2.906 1.00 0.00 O ATOM 52 CB CYS A 120 3.684 -8.671 -0.544 1.00 0.00 C ATOM 53 SG CYS A 120 3.984 -7.459 0.770 1.00 0.00 S ATOM 0 H CYS A 120 3.461 -9.827 -2.815 1.00 0.00 H new ATOM 0 HA CYS A 120 2.454 -7.347 -1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 120 2.894 -9.353 -0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 120 4.583 -9.270 -0.692 1.00 0.00 H new ATOM 58 N SER A 121 4.365 -5.936 -2.501 1.00 0.00 N ATOM 59 CA SER A 121 5.352 -5.068 -3.094 1.00 0.00 C ATOM 60 C SER A 121 6.599 -4.968 -2.252 1.00 0.00 C ATOM 61 O SER A 121 7.695 -4.838 -2.797 1.00 0.00 O ATOM 62 CB SER A 121 4.817 -3.630 -3.273 1.00 0.00 C ATOM 63 OG SER A 121 3.666 -3.624 -4.106 1.00 0.00 O ATOM 0 H SER A 121 3.572 -5.430 -2.106 1.00 0.00 H new ATOM 0 HA SER A 121 5.583 -5.516 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.571 -3.204 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.592 -3.000 -3.710 1.00 0.00 H new ATOM 0 HG SER A 121 3.340 -2.705 -4.207 1.00 0.00 H new ATOM 69 N ARG A 122 6.460 -5.005 -0.903 1.00 0.00 N ATOM 70 CA ARG A 122 7.536 -4.648 -0.004 1.00 0.00 C ATOM 71 C ARG A 122 8.497 -5.788 0.171 1.00 0.00 C ATOM 72 O ARG A 122 9.697 -5.618 -0.041 1.00 0.00 O ATOM 73 CB ARG A 122 7.020 -4.226 1.389 1.00 0.00 C ATOM 74 CG ARG A 122 8.068 -3.602 2.332 1.00 0.00 C ATOM 75 CD ARG A 122 8.654 -2.280 1.813 1.00 0.00 C ATOM 76 NE ARG A 122 9.553 -1.697 2.860 1.00 0.00 N ATOM 77 CZ ARG A 122 10.345 -0.608 2.619 1.00 0.00 C ATOM 78 NH1 ARG A 122 10.424 -0.057 1.373 1.00 0.00 N ATOM 79 NH2 ARG A 122 11.069 -0.067 3.643 1.00 0.00 N ATOM 0 H ARG A 122 5.599 -5.283 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 122 8.043 -3.800 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.209 -3.511 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.594 -5.102 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.611 -3.429 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.879 -4.315 2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.211 -2.452 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.852 -1.581 1.575 1.00 0.00 H new ATOM 0 HE ARG A 122 9.575 -2.127 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.887 -0.457 0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.020 0.755 1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 122 11.016 -0.475 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.663 0.745 3.474 1.00 0.00 H new ATOM 93 N CYS A 123 7.988 -6.984 0.561 1.00 0.00 N ATOM 94 CA CYS A 123 8.831 -8.101 0.923 1.00 0.00 C ATOM 95 C CYS A 123 9.133 -8.919 -0.309 1.00 0.00 C ATOM 96 O CYS A 123 10.168 -9.583 -0.373 1.00 0.00 O ATOM 97 CB CYS A 123 8.243 -8.979 2.068 1.00 0.00 C ATOM 98 SG CYS A 123 6.676 -9.847 1.707 1.00 0.00 S ATOM 0 H CYS A 123 6.989 -7.178 0.626 1.00 0.00 H new ATOM 0 HA CYS A 123 9.758 -7.695 1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 123 8.989 -9.723 2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 123 8.088 -8.344 2.940 1.00 0.00 H new ATOM 103 N GLY A 124 8.252 -8.844 -1.335 1.00 0.00 N ATOM 104 CA GLY A 124 8.529 -9.356 -2.656 1.00 0.00 C ATOM 105 C GLY A 124 8.092 -10.780 -2.801 1.00 0.00 C ATOM 106 O GLY A 124 8.549 -11.475 -3.707 1.00 0.00 O ATOM 0 H GLY A 124 7.329 -8.420 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 124 8.020 -8.742 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.597 -9.281 -2.859 1.00 0.00 H new ATOM 110 N ASP A 125 7.183 -11.245 -1.914 1.00 0.00 N ATOM 111 CA ASP A 125 6.634 -12.578 -1.964 1.00 0.00 C ATOM 112 C ASP A 125 5.256 -12.454 -2.543 1.00 0.00 C ATOM 113 O ASP A 125 4.750 -11.349 -2.727 1.00 0.00 O ATOM 114 CB ASP A 125 6.528 -13.239 -0.566 1.00 0.00 C ATOM 115 CG ASP A 125 7.929 -13.409 0.024 1.00 0.00 C ATOM 116 OD1 ASP A 125 8.748 -14.139 -0.599 1.00 0.00 O ATOM 117 OD2 ASP A 125 8.200 -12.817 1.102 1.00 0.00 O ATOM 0 H ASP A 125 6.820 -10.683 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 125 7.293 -13.208 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.916 -12.624 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.035 -14.208 -0.646 1.00 0.00 H new ATOM 122 N SER A 126 4.616 -13.607 -2.844 1.00 0.00 N ATOM 123 CA SER A 126 3.245 -13.654 -3.291 1.00 0.00 C ATOM 124 C SER A 126 2.414 -13.822 -2.057 1.00 0.00 C ATOM 125 O SER A 126 2.642 -14.746 -1.277 1.00 0.00 O ATOM 126 CB SER A 126 2.941 -14.830 -4.244 1.00 0.00 C ATOM 127 OG SER A 126 3.702 -14.716 -5.438 1.00 0.00 O ATOM 0 H SER A 126 5.057 -14.524 -2.776 1.00 0.00 H new ATOM 0 HA SER A 126 3.030 -12.743 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 126 3.170 -15.774 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 126 1.878 -14.845 -4.484 1.00 0.00 H new ATOM 0 HG SER A 126 3.498 -15.470 -6.029 1.00 0.00 H new ATOM 133 N VAL A 127 1.442 -12.903 -1.845 1.00 0.00 N ATOM 134 CA VAL A 127 0.604 -12.915 -0.671 1.00 0.00 C ATOM 135 C VAL A 127 -0.708 -13.517 -1.088 1.00 0.00 C ATOM 136 O VAL A 127 -1.171 -13.317 -2.210 1.00 0.00 O ATOM 137 CB VAL A 127 0.456 -11.542 -0.017 1.00 0.00 C ATOM 138 CG1 VAL A 127 -0.337 -10.555 -0.897 1.00 0.00 C ATOM 139 CG2 VAL A 127 -0.166 -11.696 1.383 1.00 0.00 C ATOM 0 H VAL A 127 1.235 -12.144 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 127 1.065 -13.514 0.114 1.00 0.00 H new ATOM 0 HB VAL A 127 1.450 -11.108 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.414 -9.594 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.178 -10.421 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.336 -10.951 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.269 -10.714 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -1.148 -12.161 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.478 -12.322 2.001 1.00 0.00 H new ATOM 149 N TYR A 128 -1.311 -14.320 -0.185 1.00 0.00 N ATOM 150 CA TYR A 128 -2.541 -15.020 -0.436 1.00 0.00 C ATOM 151 C TYR A 128 -3.444 -14.614 0.685 1.00 0.00 C ATOM 152 O TYR A 128 -4.158 -13.619 0.576 1.00 0.00 O ATOM 153 CB TYR A 128 -2.361 -16.558 -0.489 1.00 0.00 C ATOM 154 CG TYR A 128 -1.510 -16.901 -1.683 1.00 0.00 C ATOM 155 CD1 TYR A 128 -2.068 -16.912 -2.973 1.00 0.00 C ATOM 156 CD2 TYR A 128 -0.136 -17.165 -1.535 1.00 0.00 C ATOM 157 CE1 TYR A 128 -1.271 -17.176 -4.094 1.00 0.00 C ATOM 158 CE2 TYR A 128 0.664 -17.429 -2.654 1.00 0.00 C ATOM 159 CZ TYR A 128 0.098 -17.435 -3.935 1.00 0.00 C ATOM 160 OH TYR A 128 0.904 -17.698 -5.065 1.00 0.00 O ATOM 0 H TYR A 128 -0.932 -14.487 0.747 1.00 0.00 H new ATOM 0 HA TYR A 128 -2.946 -14.762 -1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.890 -16.916 0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.331 -17.050 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -3.122 -16.715 -3.101 1.00 0.00 H new ATOM 0 HD2 TYR A 128 0.306 -17.164 -0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -1.711 -17.180 -5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 128 1.718 -17.628 -2.529 1.00 0.00 H new ATOM 0 HH TYR A 128 1.828 -17.855 -4.778 1.00 0.00 H new ATOM 170 N ALA A 129 -3.412 -15.373 1.801 1.00 0.00 N ATOM 171 CA ALA A 129 -4.143 -15.054 2.997 1.00 0.00 C ATOM 172 C ALA A 129 -3.199 -15.357 4.118 1.00 0.00 C ATOM 173 O ALA A 129 -3.462 -16.214 4.962 1.00 0.00 O ATOM 174 CB ALA A 129 -5.431 -15.887 3.153 1.00 0.00 C ATOM 0 H ALA A 129 -2.864 -16.230 1.875 1.00 0.00 H new ATOM 0 HA ALA A 129 -4.470 -14.015 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.940 -15.602 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.088 -15.703 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -5.177 -16.946 3.192 1.00 0.00 H new ATOM 180 N ALA A 130 -2.052 -14.637 4.138 1.00 0.00 N ATOM 181 CA ALA A 130 -1.020 -14.792 5.132 1.00 0.00 C ATOM 182 C ALA A 130 -1.345 -13.837 6.247 1.00 0.00 C ATOM 183 O ALA A 130 -2.111 -14.173 7.149 1.00 0.00 O ATOM 184 CB ALA A 130 0.382 -14.508 4.555 1.00 0.00 C ATOM 0 H ALA A 130 -1.836 -13.925 3.441 1.00 0.00 H new ATOM 0 HA ALA A 130 -0.994 -15.821 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.130 -14.636 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.587 -15.202 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.421 -13.485 4.180 1.00 0.00 H new ATOM 190 N GLU A 131 -0.783 -12.608 6.185 1.00 0.00 N ATOM 191 CA GLU A 131 -1.109 -11.524 7.079 1.00 0.00 C ATOM 192 C GLU A 131 -1.792 -10.493 6.221 1.00 0.00 C ATOM 193 O GLU A 131 -1.619 -9.292 6.422 1.00 0.00 O ATOM 194 CB GLU A 131 0.134 -10.862 7.735 1.00 0.00 C ATOM 195 CG GLU A 131 0.954 -11.773 8.673 1.00 0.00 C ATOM 196 CD GLU A 131 1.811 -12.772 7.893 1.00 0.00 C ATOM 197 OE1 GLU A 131 2.657 -12.317 7.077 1.00 0.00 O ATOM 198 OE2 GLU A 131 1.632 -14.001 8.106 1.00 0.00 O ATOM 0 H GLU A 131 -0.079 -12.359 5.491 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.719 -11.907 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 131 0.791 -10.499 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -0.196 -9.991 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 131 1.596 -11.159 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 131 0.278 -12.314 9.335 1.00 0.00 H new ATOM 205 N LYS A 132 -2.584 -10.954 5.218 1.00 0.00 N ATOM 206 CA LYS A 132 -3.057 -10.117 4.147 1.00 0.00 C ATOM 207 C LYS A 132 -4.203 -9.266 4.614 1.00 0.00 C ATOM 208 O LYS A 132 -5.149 -9.749 5.235 1.00 0.00 O ATOM 209 CB LYS A 132 -3.462 -10.947 2.903 1.00 0.00 C ATOM 210 CG LYS A 132 -3.604 -10.157 1.585 1.00 0.00 C ATOM 211 CD LYS A 132 -5.016 -9.633 1.264 1.00 0.00 C ATOM 212 CE LYS A 132 -6.018 -10.744 0.915 1.00 0.00 C ATOM 213 NZ LYS A 132 -7.342 -10.178 0.572 1.00 0.00 N ATOM 0 H LYS A 132 -2.898 -11.922 5.153 1.00 0.00 H new ATOM 0 HA LYS A 132 -2.235 -9.466 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -2.720 -11.732 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -4.411 -11.441 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -2.921 -9.308 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -3.279 -10.796 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -5.391 -9.073 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -4.955 -8.935 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -5.640 -11.328 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -6.118 -11.426 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -8.066 -10.922 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -7.573 -9.410 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -7.319 -9.804 -0.398 1.00 0.00 H new ATOM 227 N VAL A 133 -4.102 -7.956 4.304 1.00 0.00 N ATOM 228 CA VAL A 133 -5.090 -6.952 4.573 1.00 0.00 C ATOM 229 C VAL A 133 -5.246 -6.216 3.273 1.00 0.00 C ATOM 230 O VAL A 133 -4.368 -6.254 2.412 1.00 0.00 O ATOM 231 CB VAL A 133 -4.705 -5.972 5.682 1.00 0.00 C ATOM 232 CG1 VAL A 133 -4.716 -6.724 7.030 1.00 0.00 C ATOM 233 CG2 VAL A 133 -3.331 -5.314 5.414 1.00 0.00 C ATOM 0 H VAL A 133 -3.279 -7.576 3.837 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.005 -7.423 4.932 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.432 -5.160 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.443 -6.038 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.714 -7.122 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -3.999 -7.544 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.093 -4.625 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -2.563 -6.085 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.367 -4.768 4.472 1.00 0.00 H new ATOM 243 N ILE A 134 -6.396 -5.528 3.110 1.00 0.00 N ATOM 244 CA ILE A 134 -6.660 -4.673 1.981 1.00 0.00 C ATOM 245 C ILE A 134 -6.692 -3.297 2.573 1.00 0.00 C ATOM 246 O ILE A 134 -7.276 -3.077 3.634 1.00 0.00 O ATOM 247 CB ILE A 134 -7.978 -5.000 1.278 1.00 0.00 C ATOM 248 CG1 ILE A 134 -7.957 -6.436 0.687 1.00 0.00 C ATOM 249 CG2 ILE A 134 -8.305 -3.951 0.191 1.00 0.00 C ATOM 250 CD1 ILE A 134 -6.922 -6.666 -0.421 1.00 0.00 C ATOM 0 H ILE A 134 -7.164 -5.566 3.780 1.00 0.00 H new ATOM 0 HA ILE A 134 -5.904 -4.793 1.205 1.00 0.00 H new ATOM 0 HB ILE A 134 -8.772 -4.962 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.765 -7.142 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -8.947 -6.665 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -9.247 -4.209 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -8.390 -2.966 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.508 -3.937 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -6.985 -7.697 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -7.122 -5.990 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -5.922 -6.475 -0.031 1.00 0.00 H new ATOM 262 N GLY A 135 -6.043 -2.335 1.878 1.00 0.00 N ATOM 263 CA GLY A 135 -6.028 -0.951 2.260 1.00 0.00 C ATOM 264 C GLY A 135 -7.084 -0.283 1.450 1.00 0.00 C ATOM 265 O GLY A 135 -8.178 -0.009 1.943 1.00 0.00 O ATOM 0 H GLY A 135 -5.515 -2.527 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.227 -0.840 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.052 -0.506 2.069 1.00 0.00 H new ATOM 269 N ALA A 136 -6.763 -0.026 0.163 1.00 0.00 N ATOM 270 CA ALA A 136 -7.670 0.555 -0.789 1.00 0.00 C ATOM 271 C ALA A 136 -8.254 -0.573 -1.584 1.00 0.00 C ATOM 272 O ALA A 136 -9.440 -0.876 -1.464 1.00 0.00 O ATOM 273 CB ALA A 136 -6.962 1.542 -1.731 1.00 0.00 C ATOM 0 H ALA A 136 -5.843 -0.229 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 136 -8.439 1.119 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.685 1.957 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.520 2.349 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -6.179 1.021 -2.282 1.00 0.00 H new ATOM 279 N GLY A 137 -7.415 -1.235 -2.409 1.00 0.00 N ATOM 280 CA GLY A 137 -7.860 -2.343 -3.207 1.00 0.00 C ATOM 281 C GLY A 137 -6.645 -2.987 -3.781 1.00 0.00 C ATOM 282 O GLY A 137 -6.564 -3.195 -4.991 1.00 0.00 O ATOM 0 H GLY A 137 -6.428 -1.003 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -8.422 -3.053 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -8.527 -2.003 -4.000 1.00 0.00 H new ATOM 286 N LYS A 138 -5.665 -3.324 -2.911 1.00 0.00 N ATOM 287 CA LYS A 138 -4.458 -3.988 -3.327 1.00 0.00 C ATOM 288 C LYS A 138 -4.012 -4.828 -2.151 1.00 0.00 C ATOM 289 O LYS A 138 -4.076 -4.334 -1.027 1.00 0.00 O ATOM 290 CB LYS A 138 -3.337 -2.995 -3.720 1.00 0.00 C ATOM 291 CG LYS A 138 -2.050 -3.666 -4.227 1.00 0.00 C ATOM 292 CD LYS A 138 -1.086 -2.683 -4.904 1.00 0.00 C ATOM 293 CE LYS A 138 0.249 -3.334 -5.285 1.00 0.00 C ATOM 294 NZ LYS A 138 1.155 -2.347 -5.916 1.00 0.00 N ATOM 0 H LYS A 138 -5.711 -3.134 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.655 -4.587 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -3.714 -2.327 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -3.095 -2.377 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.543 -4.145 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -2.312 -4.454 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.557 -2.277 -5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -0.899 -1.844 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.722 -3.752 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 138 0.072 -4.162 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 2.052 -2.809 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 0.710 -1.968 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 1.340 -1.570 -5.250 1.00 0.00 H new ATOM 308 N PRO A 139 -3.562 -6.075 -2.321 1.00 0.00 N ATOM 309 CA PRO A 139 -3.038 -6.885 -1.230 1.00 0.00 C ATOM 310 C PRO A 139 -1.739 -6.371 -0.658 1.00 0.00 C ATOM 311 O PRO A 139 -0.886 -5.891 -1.404 1.00 0.00 O ATOM 312 CB PRO A 139 -2.847 -8.267 -1.858 1.00 0.00 C ATOM 313 CG PRO A 139 -3.998 -8.337 -2.855 1.00 0.00 C ATOM 314 CD PRO A 139 -4.002 -6.924 -3.431 1.00 0.00 C ATOM 0 HA PRO A 139 -3.720 -6.878 -0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.878 -8.359 -2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -2.905 -9.062 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -3.827 -9.091 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -4.943 -8.583 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -3.330 -6.841 -4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -4.995 -6.640 -3.779 1.00 0.00 H new ATOM 322 N TRP A 140 -1.626 -6.449 0.683 1.00 0.00 N ATOM 323 CA TRP A 140 -0.570 -5.891 1.483 1.00 0.00 C ATOM 324 C TRP A 140 -0.482 -6.814 2.659 1.00 0.00 C ATOM 325 O TRP A 140 -1.515 -7.261 3.142 1.00 0.00 O ATOM 326 CB TRP A 140 -0.875 -4.490 2.081 1.00 0.00 C ATOM 327 CG TRP A 140 -1.295 -3.398 1.116 1.00 0.00 C ATOM 328 CD1 TRP A 140 -2.501 -2.757 1.064 1.00 0.00 C ATOM 329 CD2 TRP A 140 -0.467 -2.784 0.112 1.00 0.00 C ATOM 330 NE1 TRP A 140 -2.493 -1.791 0.086 1.00 0.00 N ATOM 331 CE2 TRP A 140 -1.253 -1.788 -0.513 1.00 0.00 C ATOM 332 CE3 TRP A 140 0.851 -3.010 -0.276 1.00 0.00 C ATOM 333 CZ2 TRP A 140 -0.733 -1.006 -1.536 1.00 0.00 C ATOM 334 CZ3 TRP A 140 1.374 -2.218 -1.310 1.00 0.00 C ATOM 335 CH2 TRP A 140 0.594 -1.227 -1.925 1.00 0.00 C ATOM 0 H TRP A 140 -2.321 -6.936 1.249 1.00 0.00 H new ATOM 0 HA TRP A 140 0.317 -5.787 0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -1.664 -4.605 2.824 1.00 0.00 H new ATOM 0 HB3 TRP A 140 0.014 -4.148 2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -3.343 -2.979 1.703 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -3.273 -1.180 -0.155 1.00 0.00 H new ATOM 0 HE3 TRP A 140 1.451 -3.770 0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -1.335 -0.249 -2.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.391 -2.374 -1.637 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.024 -0.625 -2.711 1.00 0.00 H new ATOM 346 N HIS A 141 0.737 -7.115 3.178 1.00 0.00 N ATOM 347 CA HIS A 141 0.848 -7.672 4.513 1.00 0.00 C ATOM 348 C HIS A 141 0.751 -6.472 5.416 1.00 0.00 C ATOM 349 O HIS A 141 1.019 -5.351 4.992 1.00 0.00 O ATOM 350 CB HIS A 141 2.166 -8.404 4.880 1.00 0.00 C ATOM 351 CG HIS A 141 2.446 -9.670 4.120 1.00 0.00 C ATOM 352 ND1 HIS A 141 3.512 -9.841 3.268 1.00 0.00 N ATOM 353 CD2 HIS A 141 1.844 -10.875 4.251 1.00 0.00 C ATOM 354 CE1 HIS A 141 3.536 -11.113 2.894 1.00 0.00 C ATOM 355 NE2 HIS A 141 2.541 -11.761 3.480 1.00 0.00 N ATOM 0 H HIS A 141 1.623 -6.979 2.692 1.00 0.00 H new ATOM 0 HA HIS A 141 0.081 -8.441 4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 141 2.997 -7.717 4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 141 2.145 -8.639 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 141 0.975 -11.095 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 141 4.255 -11.552 2.217 1.00 0.00 H new ATOM 0 HE2 HIS A 141 2.331 -12.753 3.374 1.00 0.00 H new ATOM 363 N LYS A 142 0.296 -6.666 6.672 1.00 0.00 N ATOM 364 CA LYS A 142 -0.006 -5.570 7.564 1.00 0.00 C ATOM 365 C LYS A 142 1.233 -4.936 8.145 1.00 0.00 C ATOM 366 O LYS A 142 1.175 -3.860 8.732 1.00 0.00 O ATOM 367 CB LYS A 142 -0.931 -6.013 8.722 1.00 0.00 C ATOM 368 CG LYS A 142 -0.329 -7.114 9.612 1.00 0.00 C ATOM 369 CD LYS A 142 -1.296 -7.627 10.689 1.00 0.00 C ATOM 370 CE LYS A 142 -0.741 -8.811 11.495 1.00 0.00 C ATOM 371 NZ LYS A 142 0.499 -8.443 12.217 1.00 0.00 N ATOM 0 H LYS A 142 0.135 -7.588 7.077 1.00 0.00 H new ATOM 0 HA LYS A 142 -0.519 -4.829 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -1.164 -5.146 9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -1.873 -6.370 8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -0.020 -7.950 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 142 0.569 -6.729 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -1.533 -6.811 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -2.230 -7.927 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -1.492 -9.150 12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -0.538 -9.646 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 0.810 -9.243 12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 1.244 -8.208 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 0.315 -7.619 12.824 1.00 0.00 H new ATOM 385 N ASN A 143 2.390 -5.599 7.959 1.00 0.00 N ATOM 386 CA ASN A 143 3.694 -5.129 8.361 1.00 0.00 C ATOM 387 C ASN A 143 4.292 -4.424 7.174 1.00 0.00 C ATOM 388 O ASN A 143 5.014 -3.437 7.311 1.00 0.00 O ATOM 389 CB ASN A 143 4.626 -6.301 8.752 1.00 0.00 C ATOM 390 CG ASN A 143 4.006 -7.062 9.934 1.00 0.00 C ATOM 391 OD1 ASN A 143 3.948 -6.538 11.053 1.00 0.00 O ATOM 392 ND2 ASN A 143 3.526 -8.315 9.666 1.00 0.00 N ATOM 0 H ASN A 143 2.424 -6.512 7.505 1.00 0.00 H new ATOM 0 HA ASN A 143 3.592 -4.476 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 143 4.764 -6.971 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 143 5.612 -5.923 9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 143 3.094 -8.865 10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 143 3.600 -8.699 8.724 1.00 0.00 H new ATOM 399 N CYS A 144 3.968 -4.947 5.971 1.00 0.00 N ATOM 400 CA CYS A 144 4.413 -4.508 4.676 1.00 0.00 C ATOM 401 C CYS A 144 3.425 -3.540 4.071 1.00 0.00 C ATOM 402 O CYS A 144 3.209 -3.597 2.861 1.00 0.00 O ATOM 403 CB CYS A 144 4.468 -5.673 3.663 1.00 0.00 C ATOM 404 SG CYS A 144 5.568 -7.059 4.055 1.00 0.00 S ATOM 0 H CYS A 144 3.339 -5.747 5.900 1.00 0.00 H new ATOM 0 HA CYS A 144 5.395 -4.065 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 144 3.458 -6.066 3.545 1.00 0.00 H new ATOM 0 HB3 CYS A 144 4.767 -5.267 2.697 1.00 0.00 H new ATOM 409 N PHE A 145 2.729 -2.688 4.871 1.00 0.00 N ATOM 410 CA PHE A 145 1.612 -1.898 4.389 1.00 0.00 C ATOM 411 C PHE A 145 2.180 -0.693 3.674 1.00 0.00 C ATOM 412 O PHE A 145 2.274 0.403 4.219 1.00 0.00 O ATOM 413 CB PHE A 145 0.699 -1.501 5.577 1.00 0.00 C ATOM 414 CG PHE A 145 -0.685 -1.071 5.185 1.00 0.00 C ATOM 415 CD1 PHE A 145 -1.598 -2.008 4.675 1.00 0.00 C ATOM 416 CD2 PHE A 145 -1.119 0.246 5.418 1.00 0.00 C ATOM 417 CE1 PHE A 145 -2.913 -1.633 4.377 1.00 0.00 C ATOM 418 CE2 PHE A 145 -2.435 0.621 5.126 1.00 0.00 C ATOM 419 CZ PHE A 145 -3.326 -0.315 4.595 1.00 0.00 C ATOM 0 H PHE A 145 2.941 -2.545 5.858 1.00 0.00 H new ATOM 0 HA PHE A 145 0.993 -2.464 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 145 0.623 -2.348 6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 145 1.175 -0.690 6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -1.282 -3.028 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -0.432 0.973 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.607 -2.359 3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -2.762 1.634 5.311 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.336 -0.020 4.352 1.00 0.00 H new ATOM 429 N ARG A 146 2.613 -0.913 2.411 1.00 0.00 N ATOM 430 CA ARG A 146 3.510 -0.042 1.710 1.00 0.00 C ATOM 431 C ARG A 146 2.731 0.993 0.976 1.00 0.00 C ATOM 432 O ARG A 146 1.737 0.712 0.310 1.00 0.00 O ATOM 433 CB ARG A 146 4.431 -0.814 0.735 1.00 0.00 C ATOM 434 CG ARG A 146 5.523 0.024 0.064 1.00 0.00 C ATOM 435 CD ARG A 146 6.398 -0.791 -0.896 1.00 0.00 C ATOM 436 NE ARG A 146 7.549 0.069 -1.322 1.00 0.00 N ATOM 437 CZ ARG A 146 8.670 -0.434 -1.923 1.00 0.00 C ATOM 438 NH1 ARG A 146 8.780 -1.763 -2.213 1.00 0.00 N ATOM 439 NH2 ARG A 146 9.695 0.411 -2.237 1.00 0.00 N ATOM 0 H ARG A 146 2.327 -1.724 1.863 1.00 0.00 H new ATOM 0 HA ARG A 146 4.154 0.437 2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.906 -1.630 1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.813 -1.265 -0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.059 0.844 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.154 0.470 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.760 -1.695 -0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.818 -1.108 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 146 7.494 1.074 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 146 8.018 -2.400 -1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 146 9.624 -2.119 -2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 146 9.620 1.406 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 146 10.536 0.048 -2.685 1.00 0.00 H new ATOM 453 N CYS A 147 3.220 2.240 1.102 1.00 0.00 N ATOM 454 CA CYS A 147 2.714 3.428 0.486 1.00 0.00 C ATOM 455 C CYS A 147 3.088 3.370 -0.976 1.00 0.00 C ATOM 456 O CYS A 147 4.173 2.921 -1.327 1.00 0.00 O ATOM 457 CB CYS A 147 3.377 4.632 1.174 1.00 0.00 C ATOM 458 SG CYS A 147 2.720 6.191 0.587 1.00 0.00 S ATOM 0 H CYS A 147 4.036 2.431 1.683 1.00 0.00 H new ATOM 0 HA CYS A 147 1.632 3.518 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 147 3.229 4.560 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 147 4.452 4.603 0.997 1.00 0.00 H new ATOM 463 N ALA A 148 2.181 3.793 -1.882 1.00 0.00 N ATOM 464 CA ALA A 148 2.409 3.621 -3.301 1.00 0.00 C ATOM 465 C ALA A 148 3.173 4.790 -3.866 1.00 0.00 C ATOM 466 O ALA A 148 3.727 4.691 -4.959 1.00 0.00 O ATOM 467 CB ALA A 148 1.106 3.426 -4.087 1.00 0.00 C ATOM 0 H ALA A 148 1.300 4.248 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 148 3.001 2.712 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 148 1.335 3.302 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 148 0.589 2.539 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 148 0.467 4.299 -3.954 1.00 0.00 H new ATOM 473 N LYS A 149 3.242 5.914 -3.114 1.00 0.00 N ATOM 474 CA LYS A 149 3.992 7.083 -3.499 1.00 0.00 C ATOM 475 C LYS A 149 5.385 6.942 -2.956 1.00 0.00 C ATOM 476 O LYS A 149 6.335 6.818 -3.729 1.00 0.00 O ATOM 477 CB LYS A 149 3.350 8.398 -2.989 1.00 0.00 C ATOM 478 CG LYS A 149 4.114 9.686 -3.342 1.00 0.00 C ATOM 479 CD LYS A 149 3.305 10.955 -3.024 1.00 0.00 C ATOM 480 CE LYS A 149 4.078 12.264 -3.234 1.00 0.00 C ATOM 481 NZ LYS A 149 4.472 12.444 -4.650 1.00 0.00 N ATOM 0 H LYS A 149 2.766 6.013 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 149 4.000 7.147 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 149 2.341 8.471 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 149 3.253 8.339 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 149 5.054 9.710 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 149 4.367 9.676 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 149 2.412 10.969 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 149 2.968 10.907 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 149 3.462 13.106 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 149 4.968 12.266 -2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 4.992 13.338 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 5.080 11.653 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 3.621 12.467 -5.247 1.00 0.00 H new ATOM 495 N CYS A 150 5.540 6.972 -1.609 1.00 0.00 N ATOM 496 CA CYS A 150 6.835 7.140 -0.992 1.00 0.00 C ATOM 497 C CYS A 150 7.485 5.815 -0.649 1.00 0.00 C ATOM 498 O CYS A 150 8.711 5.735 -0.584 1.00 0.00 O ATOM 499 CB CYS A 150 6.788 8.128 0.212 1.00 0.00 C ATOM 500 SG CYS A 150 6.013 7.535 1.754 1.00 0.00 S ATOM 0 H CYS A 150 4.769 6.880 -0.947 1.00 0.00 H new ATOM 0 HA CYS A 150 7.483 7.604 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 150 7.810 8.427 0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 150 6.258 9.025 -0.108 1.00 0.00 H new ATOM 505 N GLY A 151 6.685 4.736 -0.459 1.00 0.00 N ATOM 506 CA GLY A 151 7.194 3.393 -0.267 1.00 0.00 C ATOM 507 C GLY A 151 7.486 3.055 1.157 1.00 0.00 C ATOM 508 O GLY A 151 8.110 2.031 1.426 1.00 0.00 O ATOM 0 H GLY A 151 5.667 4.794 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.468 2.680 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 151 8.105 3.273 -0.853 1.00 0.00 H new ATOM 512 N LYS A 152 7.052 3.905 2.117 1.00 0.00 N ATOM 513 CA LYS A 152 7.226 3.647 3.526 1.00 0.00 C ATOM 514 C LYS A 152 6.276 2.551 3.933 1.00 0.00 C ATOM 515 O LYS A 152 5.091 2.609 3.614 1.00 0.00 O ATOM 516 CB LYS A 152 6.947 4.909 4.377 1.00 0.00 C ATOM 517 CG LYS A 152 7.190 4.732 5.884 1.00 0.00 C ATOM 518 CD LYS A 152 6.996 6.036 6.675 1.00 0.00 C ATOM 519 CE LYS A 152 7.116 5.859 8.196 1.00 0.00 C ATOM 520 NZ LYS A 152 8.470 5.395 8.582 1.00 0.00 N ATOM 0 H LYS A 152 6.574 4.783 1.914 1.00 0.00 H new ATOM 0 HA LYS A 152 8.260 3.351 3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 152 7.576 5.722 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.912 5.213 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 152 6.510 3.973 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 152 8.203 4.363 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 152 7.735 6.765 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 152 6.014 6.449 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 152 6.899 6.805 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 152 6.372 5.141 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 8.528 5.318 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 8.653 4.465 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 9.180 6.076 8.245 1.00 0.00 H new ATOM 534 N SER A 153 6.802 1.513 4.631 1.00 0.00 N ATOM 535 CA SER A 153 6.018 0.403 5.120 1.00 0.00 C ATOM 536 C SER A 153 5.432 0.805 6.446 1.00 0.00 C ATOM 537 O SER A 153 6.099 1.425 7.274 1.00 0.00 O ATOM 538 CB SER A 153 6.808 -0.924 5.244 1.00 0.00 C ATOM 539 OG SER A 153 8.007 -0.777 5.998 1.00 0.00 O ATOM 0 H SER A 153 7.793 1.444 4.860 1.00 0.00 H new ATOM 0 HA SER A 153 5.238 0.192 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 153 6.176 -1.676 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 153 7.052 -1.292 4.248 1.00 0.00 H new ATOM 0 HG SER A 153 8.469 -1.640 6.050 1.00 0.00 H new ATOM 545 N LEU A 154 4.128 0.503 6.624 1.00 0.00 N ATOM 546 CA LEU A 154 3.310 1.075 7.663 1.00 0.00 C ATOM 547 C LEU A 154 2.607 -0.077 8.324 1.00 0.00 C ATOM 548 O LEU A 154 2.884 -1.240 8.023 1.00 0.00 O ATOM 549 CB LEU A 154 2.272 2.076 7.080 1.00 0.00 C ATOM 550 CG LEU A 154 2.911 3.231 6.265 1.00 0.00 C ATOM 551 CD1 LEU A 154 1.937 3.832 5.238 1.00 0.00 C ATOM 552 CD2 LEU A 154 3.522 4.322 7.163 1.00 0.00 C ATOM 0 H LEU A 154 3.626 -0.157 6.030 1.00 0.00 H new ATOM 0 HA LEU A 154 3.922 1.635 8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 154 1.576 1.533 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 154 1.689 2.499 7.898 1.00 0.00 H new ATOM 0 HG LEU A 154 3.732 2.781 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 154 2.432 4.636 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.624 3.058 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.063 4.228 5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 154 3.955 5.105 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.745 4.750 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 154 4.300 3.885 7.789 1.00 0.00 H new ATOM 564 N GLU A 155 1.684 0.248 9.261 1.00 0.00 N ATOM 565 CA GLU A 155 0.999 -0.703 10.101 1.00 0.00 C ATOM 566 C GLU A 155 -0.401 -0.903 9.574 1.00 0.00 C ATOM 567 O GLU A 155 -0.592 -1.544 8.542 1.00 0.00 O ATOM 568 CB GLU A 155 0.975 -0.256 11.584 1.00 0.00 C ATOM 569 CG GLU A 155 2.388 -0.161 12.191 1.00 0.00 C ATOM 570 CD GLU A 155 2.293 0.265 13.656 1.00 0.00 C ATOM 571 OE1 GLU A 155 1.700 -0.502 14.460 1.00 0.00 O ATOM 572 OE2 GLU A 155 2.814 1.363 13.990 1.00 0.00 O ATOM 0 H GLU A 155 1.404 1.212 9.441 1.00 0.00 H new ATOM 0 HA GLU A 155 1.541 -1.648 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 155 0.484 0.714 11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 155 0.380 -0.962 12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 155 2.892 -1.124 12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 155 2.987 0.558 11.632 1.00 0.00 H new ATOM 579 N SER A 156 -1.425 -0.376 10.289 1.00 0.00 N ATOM 580 CA SER A 156 -2.820 -0.659 10.034 1.00 0.00 C ATOM 581 C SER A 156 -3.361 0.231 8.943 1.00 0.00 C ATOM 582 O SER A 156 -2.661 1.099 8.421 1.00 0.00 O ATOM 583 CB SER A 156 -3.682 -0.526 11.320 1.00 0.00 C ATOM 584 OG SER A 156 -3.591 0.772 11.898 1.00 0.00 O ATOM 0 H SER A 156 -1.280 0.266 11.068 1.00 0.00 H new ATOM 0 HA SER A 156 -2.881 -1.695 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 156 -4.723 -0.743 11.081 1.00 0.00 H new ATOM 0 HB3 SER A 156 -3.360 -1.270 12.049 1.00 0.00 H new ATOM 0 HG SER A 156 -4.149 0.812 12.702 1.00 0.00 H new ATOM 590 N THR A 157 -4.649 0.006 8.578 1.00 0.00 N ATOM 591 CA THR A 157 -5.340 0.744 7.548 1.00 0.00 C ATOM 592 C THR A 157 -5.907 1.981 8.183 1.00 0.00 C ATOM 593 O THR A 157 -6.871 1.924 8.945 1.00 0.00 O ATOM 594 CB THR A 157 -6.458 -0.048 6.881 1.00 0.00 C ATOM 595 OG1 THR A 157 -5.947 -1.278 6.376 1.00 0.00 O ATOM 596 CG2 THR A 157 -7.069 0.761 5.714 1.00 0.00 C ATOM 0 H THR A 157 -5.227 -0.712 9.014 1.00 0.00 H new ATOM 0 HA THR A 157 -4.626 0.978 6.759 1.00 0.00 H new ATOM 0 HB THR A 157 -7.230 -0.247 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 157 -5.161 -1.101 5.818 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.866 0.182 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 157 -7.476 1.698 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.296 0.975 4.976 1.00 0.00 H new ATOM 604 N THR A 158 -5.285 3.138 7.866 1.00 0.00 N ATOM 605 CA THR A 158 -5.753 4.443 8.255 1.00 0.00 C ATOM 606 C THR A 158 -5.591 5.186 6.958 1.00 0.00 C ATOM 607 O THR A 158 -6.247 4.846 5.975 1.00 0.00 O ATOM 608 CB THR A 158 -4.993 5.048 9.437 1.00 0.00 C ATOM 609 OG1 THR A 158 -4.942 4.113 10.508 1.00 0.00 O ATOM 610 CG2 THR A 158 -5.712 6.320 9.941 1.00 0.00 C ATOM 0 H THR A 158 -4.425 3.167 7.319 1.00 0.00 H new ATOM 0 HA THR A 158 -6.769 4.461 8.649 1.00 0.00 H new ATOM 0 HB THR A 158 -3.986 5.298 9.104 1.00 0.00 H new ATOM 0 HG1 THR A 158 -4.453 4.505 11.261 1.00 0.00 H new ATOM 0 HG21 THR A 158 -5.161 6.740 10.782 1.00 0.00 H new ATOM 0 HG22 THR A 158 -5.761 7.053 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 158 -6.722 6.064 10.261 1.00 0.00 H new ATOM 618 N LEU A 159 -4.676 6.179 6.926 1.00 0.00 N ATOM 619 CA LEU A 159 -4.130 6.824 5.754 1.00 0.00 C ATOM 620 C LEU A 159 -5.175 7.530 4.925 1.00 0.00 C ATOM 621 O LEU A 159 -6.218 7.937 5.437 1.00 0.00 O ATOM 622 CB LEU A 159 -3.273 5.879 4.869 1.00 0.00 C ATOM 623 CG LEU A 159 -2.283 4.966 5.630 1.00 0.00 C ATOM 624 CD1 LEU A 159 -1.511 4.103 4.617 1.00 0.00 C ATOM 625 CD2 LEU A 159 -1.329 5.737 6.563 1.00 0.00 C ATOM 0 H LEU A 159 -4.285 6.563 7.786 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.459 7.584 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.944 5.250 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -2.709 6.486 4.161 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.866 4.324 6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.811 3.457 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -2.213 3.490 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.961 4.749 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.663 5.034 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.739 6.442 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.910 6.281 7.308 1.00 0.00 H new ATOM 637 N THR A 160 -4.896 7.679 3.609 1.00 0.00 N ATOM 638 CA THR A 160 -5.853 8.103 2.623 1.00 0.00 C ATOM 639 C THR A 160 -5.803 7.021 1.572 1.00 0.00 C ATOM 640 O THR A 160 -4.740 6.498 1.236 1.00 0.00 O ATOM 641 CB THR A 160 -5.603 9.509 2.070 1.00 0.00 C ATOM 642 OG1 THR A 160 -6.598 9.890 1.124 1.00 0.00 O ATOM 643 CG2 THR A 160 -4.198 9.656 1.446 1.00 0.00 C ATOM 0 H THR A 160 -3.971 7.498 3.219 1.00 0.00 H new ATOM 0 HA THR A 160 -6.849 8.211 3.053 1.00 0.00 H new ATOM 0 HB THR A 160 -5.661 10.182 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 160 -6.407 10.793 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 160 -4.072 10.671 1.069 1.00 0.00 H new ATOM 0 HG22 THR A 160 -3.441 9.453 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 160 -4.089 8.948 0.625 1.00 0.00 H new ATOM 651 N GLU A 161 -6.993 6.638 1.064 1.00 0.00 N ATOM 652 CA GLU A 161 -7.164 5.619 0.060 1.00 0.00 C ATOM 653 C GLU A 161 -7.681 6.391 -1.117 1.00 0.00 C ATOM 654 O GLU A 161 -8.712 7.055 -1.020 1.00 0.00 O ATOM 655 CB GLU A 161 -8.221 4.553 0.450 1.00 0.00 C ATOM 656 CG GLU A 161 -7.736 3.478 1.448 1.00 0.00 C ATOM 657 CD GLU A 161 -7.308 4.057 2.795 1.00 0.00 C ATOM 658 OE1 GLU A 161 -8.169 4.668 3.482 1.00 0.00 O ATOM 659 OE2 GLU A 161 -6.111 3.890 3.154 1.00 0.00 O ATOM 0 H GLU A 161 -7.875 7.054 1.364 1.00 0.00 H new ATOM 0 HA GLU A 161 -6.236 5.072 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -9.084 5.061 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -8.563 4.055 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -8.535 2.754 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -6.898 2.936 1.010 1.00 0.00 H new ATOM 666 N LYS A 162 -6.950 6.350 -2.251 1.00 0.00 N ATOM 667 CA LYS A 162 -7.344 7.081 -3.439 1.00 0.00 C ATOM 668 C LYS A 162 -6.773 6.208 -4.487 1.00 0.00 C ATOM 669 O LYS A 162 -5.646 5.723 -4.268 1.00 0.00 O ATOM 670 CB LYS A 162 -6.699 8.486 -3.533 1.00 0.00 C ATOM 671 CG LYS A 162 -7.071 9.267 -4.806 1.00 0.00 C ATOM 672 CD LYS A 162 -6.433 10.664 -4.922 1.00 0.00 C ATOM 673 CE LYS A 162 -4.997 10.689 -5.480 1.00 0.00 C ATOM 674 NZ LYS A 162 -3.999 10.160 -4.521 1.00 0.00 N ATOM 0 H LYS A 162 -6.088 5.815 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 162 -8.417 7.268 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -6.997 9.069 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -5.615 8.380 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -6.778 8.677 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -8.155 9.375 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -7.064 11.281 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -6.430 11.127 -3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -4.959 10.102 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -4.733 11.713 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -3.114 10.699 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -4.366 10.252 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -3.816 9.157 -4.728 1.00 0.00 H new ATOM 688 N GLU A 163 -7.508 5.844 -5.607 1.00 0.00 N ATOM 689 CA GLU A 163 -6.789 4.834 -6.336 1.00 0.00 C ATOM 690 C GLU A 163 -6.944 3.504 -5.645 1.00 0.00 C ATOM 691 O GLU A 163 -6.784 3.481 -4.432 1.00 0.00 O ATOM 692 CB GLU A 163 -5.421 5.108 -7.037 1.00 0.00 C ATOM 693 CG GLU A 163 -5.430 6.423 -7.838 1.00 0.00 C ATOM 694 CD GLU A 163 -4.059 6.675 -8.463 1.00 0.00 C ATOM 695 OE1 GLU A 163 -3.595 5.807 -9.249 1.00 0.00 O ATOM 696 OE2 GLU A 163 -3.461 7.744 -8.164 1.00 0.00 O ATOM 0 H GLU A 163 -8.412 6.177 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 163 -7.299 4.843 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -4.632 5.147 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -5.185 4.280 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -6.189 6.376 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -5.697 7.253 -7.184 1.00 0.00 H new ATOM 703 N GLY A 164 -7.653 2.473 -6.081 1.00 0.00 N ATOM 704 CA GLY A 164 -7.179 1.200 -5.480 1.00 0.00 C ATOM 705 C GLY A 164 -5.654 0.928 -5.111 1.00 0.00 C ATOM 706 O GLY A 164 -5.239 -0.228 -5.179 1.00 0.00 O ATOM 0 H GLY A 164 -8.434 2.456 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -7.749 1.061 -4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -7.478 0.405 -6.164 1.00 0.00 H new ATOM 710 N GLU A 165 -4.810 1.946 -4.666 1.00 0.00 N ATOM 711 CA GLU A 165 -3.605 1.792 -3.907 1.00 0.00 C ATOM 712 C GLU A 165 -3.723 2.791 -2.768 1.00 0.00 C ATOM 713 O GLU A 165 -4.583 3.679 -2.754 1.00 0.00 O ATOM 714 CB GLU A 165 -2.326 2.122 -4.706 1.00 0.00 C ATOM 715 CG GLU A 165 -2.110 1.195 -5.913 1.00 0.00 C ATOM 716 CD GLU A 165 -0.809 1.572 -6.619 1.00 0.00 C ATOM 717 OE1 GLU A 165 -0.733 2.713 -7.151 1.00 0.00 O ATOM 718 OE2 GLU A 165 0.125 0.727 -6.637 1.00 0.00 O ATOM 0 H GLU A 165 -5.011 2.926 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 165 -3.509 0.753 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -2.378 3.154 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -1.463 2.052 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -2.070 0.156 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -2.949 1.279 -6.604 1.00 0.00 H new ATOM 725 N ILE A 166 -2.835 2.654 -1.757 1.00 0.00 N ATOM 726 CA ILE A 166 -2.810 3.527 -0.606 1.00 0.00 C ATOM 727 C ILE A 166 -1.713 4.529 -0.817 1.00 0.00 C ATOM 728 O ILE A 166 -0.816 4.325 -1.631 1.00 0.00 O ATOM 729 CB ILE A 166 -2.608 2.789 0.710 1.00 0.00 C ATOM 730 CG1 ILE A 166 -1.315 1.934 0.718 1.00 0.00 C ATOM 731 CG2 ILE A 166 -3.882 1.950 0.935 1.00 0.00 C ATOM 732 CD1 ILE A 166 -1.097 1.147 2.012 1.00 0.00 C ATOM 0 H ILE A 166 -2.121 1.926 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 166 -3.783 4.011 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 166 -2.464 3.492 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 166 -1.348 1.236 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 166 -0.458 2.588 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 166 -3.793 1.396 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 166 -4.748 2.610 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 166 -4.007 1.250 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 166 -0.172 0.575 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 166 -1.030 1.839 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 166 -1.933 0.466 2.169 1.00 0.00 H new ATOM 744 N TYR A 167 -1.797 5.656 -0.085 1.00 0.00 N ATOM 745 CA TYR A 167 -0.861 6.749 -0.149 1.00 0.00 C ATOM 746 C TYR A 167 -0.915 7.299 1.242 1.00 0.00 C ATOM 747 O TYR A 167 -1.993 7.298 1.831 1.00 0.00 O ATOM 748 CB TYR A 167 -1.288 7.907 -1.090 1.00 0.00 C ATOM 749 CG TYR A 167 -1.323 7.451 -2.521 1.00 0.00 C ATOM 750 CD1 TYR A 167 -0.123 7.150 -3.175 1.00 0.00 C ATOM 751 CD2 TYR A 167 -2.533 7.324 -3.226 1.00 0.00 C ATOM 752 CE1 TYR A 167 -0.116 6.748 -4.515 1.00 0.00 C ATOM 753 CE2 TYR A 167 -2.533 6.906 -4.564 1.00 0.00 C ATOM 754 CZ TYR A 167 -1.324 6.609 -5.208 1.00 0.00 C ATOM 755 OH TYR A 167 -1.318 6.158 -6.545 1.00 0.00 O ATOM 0 H TYR A 167 -2.550 5.817 0.584 1.00 0.00 H new ATOM 0 HA TYR A 167 0.101 6.394 -0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 167 -2.271 8.275 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 167 -0.593 8.740 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 167 0.811 7.229 -2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 167 -3.467 7.550 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 167 0.820 6.545 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 167 -3.466 6.813 -5.100 1.00 0.00 H new ATOM 0 HH TYR A 167 -2.148 5.671 -6.730 1.00 0.00 H new ATOM 765 N CYS A 168 0.225 7.735 1.848 1.00 0.00 N ATOM 766 CA CYS A 168 0.212 8.023 3.265 1.00 0.00 C ATOM 767 C CYS A 168 0.115 9.504 3.437 1.00 0.00 C ATOM 768 O CYS A 168 0.403 10.265 2.518 1.00 0.00 O ATOM 769 CB CYS A 168 1.340 7.344 4.088 1.00 0.00 C ATOM 770 SG CYS A 168 3.036 7.978 3.930 1.00 0.00 S ATOM 0 H CYS A 168 1.119 7.883 1.379 1.00 0.00 H new ATOM 0 HA CYS A 168 -0.669 7.557 3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 168 1.062 7.401 5.140 1.00 0.00 H new ATOM 0 HB3 CYS A 168 1.355 6.288 3.820 1.00 0.00 H new ATOM 775 N LYS A 169 -0.358 9.939 4.626 1.00 0.00 N ATOM 776 CA LYS A 169 -0.774 11.296 4.892 1.00 0.00 C ATOM 777 C LYS A 169 0.384 12.253 4.980 1.00 0.00 C ATOM 778 O LYS A 169 0.204 13.454 4.788 1.00 0.00 O ATOM 779 CB LYS A 169 -1.596 11.379 6.197 1.00 0.00 C ATOM 780 CG LYS A 169 -2.906 10.577 6.099 1.00 0.00 C ATOM 781 CD LYS A 169 -3.733 10.537 7.395 1.00 0.00 C ATOM 782 CE LYS A 169 -3.090 9.698 8.509 1.00 0.00 C ATOM 783 NZ LYS A 169 -3.976 9.619 9.694 1.00 0.00 N ATOM 0 H LYS A 169 -0.456 9.325 5.435 1.00 0.00 H new ATOM 0 HA LYS A 169 -1.393 11.591 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -0.999 11.001 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -1.824 12.422 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -3.519 11.004 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -2.669 9.555 5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -3.877 11.555 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -4.721 10.135 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -2.882 8.694 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -2.134 10.137 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -3.518 9.047 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -4.154 10.577 10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -4.878 9.178 9.424 1.00 0.00 H new ATOM 797 N GLY A 170 1.606 11.738 5.252 1.00 0.00 N ATOM 798 CA GLY A 170 2.798 12.542 5.382 1.00 0.00 C ATOM 799 C GLY A 170 3.293 12.996 4.038 1.00 0.00 C ATOM 800 O GLY A 170 3.682 14.152 3.880 1.00 0.00 O ATOM 0 H GLY A 170 1.771 10.740 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 170 2.589 13.409 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 170 3.576 11.967 5.884 1.00 0.00 H new ATOM 804 N CYS A 171 3.289 12.081 3.040 1.00 0.00 N ATOM 805 CA CYS A 171 3.808 12.340 1.717 1.00 0.00 C ATOM 806 C CYS A 171 2.772 13.000 0.839 1.00 0.00 C ATOM 807 O CYS A 171 3.117 13.614 -0.167 1.00 0.00 O ATOM 808 CB CYS A 171 4.320 11.048 1.025 1.00 0.00 C ATOM 809 SG CYS A 171 3.080 9.786 0.710 1.00 0.00 S ATOM 0 H CYS A 171 2.917 11.138 3.153 1.00 0.00 H new ATOM 0 HA CYS A 171 4.652 13.017 1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.779 11.324 0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.105 10.613 1.644 1.00 0.00 H new ATOM 814 N TYR A 172 1.473 12.871 1.201 1.00 0.00 N ATOM 815 CA TYR A 172 0.365 13.370 0.420 1.00 0.00 C ATOM 816 C TYR A 172 0.100 14.803 0.807 1.00 0.00 C ATOM 817 O TYR A 172 -0.452 15.570 0.022 1.00 0.00 O ATOM 818 CB TYR A 172 -0.906 12.504 0.641 1.00 0.00 C ATOM 819 CG TYR A 172 -1.997 12.802 -0.357 1.00 0.00 C ATOM 820 CD1 TYR A 172 -1.791 12.570 -1.728 1.00 0.00 C ATOM 821 CD2 TYR A 172 -3.238 13.305 0.069 1.00 0.00 C ATOM 822 CE1 TYR A 172 -2.800 12.847 -2.657 1.00 0.00 C ATOM 823 CE2 TYR A 172 -4.253 13.577 -0.857 1.00 0.00 C ATOM 824 CZ TYR A 172 -4.034 13.349 -2.223 1.00 0.00 C ATOM 825 OH TYR A 172 -5.055 13.628 -3.159 1.00 0.00 O ATOM 0 H TYR A 172 1.183 12.406 2.062 1.00 0.00 H new ATOM 0 HA TYR A 172 0.620 13.316 -0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -0.638 11.450 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -1.285 12.674 1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -0.845 12.174 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -3.411 13.483 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -2.628 12.674 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -5.204 13.962 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 172 -5.845 13.968 -2.690 1.00 0.00 H new ATOM 835 N ALA A 173 0.517 15.200 2.034 1.00 0.00 N ATOM 836 CA ALA A 173 0.420 16.559 2.509 1.00 0.00 C ATOM 837 C ALA A 173 1.576 17.359 1.972 1.00 0.00 C ATOM 838 O ALA A 173 1.411 18.518 1.595 1.00 0.00 O ATOM 839 CB ALA A 173 0.470 16.637 4.047 1.00 0.00 C ATOM 0 H ALA A 173 0.932 14.561 2.712 1.00 0.00 H new ATOM 0 HA ALA A 173 -0.536 16.955 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 173 0.394 17.678 4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -0.360 16.069 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 173 1.412 16.219 4.402 1.00 0.00 H new ATOM 845 N LYS A 174 2.779 16.738 1.929 1.00 0.00 N ATOM 846 CA LYS A 174 4.014 17.391 1.569 1.00 0.00 C ATOM 847 C LYS A 174 4.106 17.560 0.076 1.00 0.00 C ATOM 848 O LYS A 174 4.345 18.664 -0.410 1.00 0.00 O ATOM 849 CB LYS A 174 5.225 16.553 2.046 1.00 0.00 C ATOM 850 CG LYS A 174 6.598 17.193 1.784 1.00 0.00 C ATOM 851 CD LYS A 174 7.759 16.344 2.322 1.00 0.00 C ATOM 852 CE LYS A 174 9.132 16.973 2.050 1.00 0.00 C ATOM 853 NZ LYS A 174 10.221 16.122 2.581 1.00 0.00 N ATOM 0 H LYS A 174 2.897 15.750 2.152 1.00 0.00 H new ATOM 0 HA LYS A 174 4.028 18.369 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 174 5.123 16.371 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 174 5.193 15.582 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 174 6.727 17.340 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 174 6.629 18.179 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 174 7.634 16.205 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 174 7.721 15.355 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 174 9.266 17.113 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 174 9.181 17.960 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 11.139 16.570 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 10.104 16.009 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 10.186 15.188 2.124 1.00 0.00 H new ATOM 867 N ASN A 175 3.899 16.447 -0.669 1.00 0.00 N ATOM 868 CA ASN A 175 4.008 16.352 -2.108 1.00 0.00 C ATOM 869 C ASN A 175 5.412 16.745 -2.590 1.00 0.00 C ATOM 870 O ASN A 175 6.398 16.106 -2.134 1.00 0.00 O ATOM 871 CB ASN A 175 2.946 17.152 -2.905 1.00 0.00 C ATOM 872 CG ASN A 175 1.531 16.730 -2.485 1.00 0.00 C ATOM 873 OD1 ASN A 175 0.790 17.529 -1.901 1.00 0.00 O ATOM 874 ND2 ASN A 175 1.165 15.450 -2.799 1.00 0.00 N ATOM 0 H ASN A 175 3.639 15.558 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 175 3.815 15.300 -2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 175 3.080 18.220 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 175 3.081 16.983 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 175 0.236 15.109 -2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 175 1.821 14.836 -3.282 1.00 0.00 H new TER 881 ASN A 175 HETATM 882 ZN ZN A 195 4.899 -8.551 2.274 1.00 0.00 ZN HETATM 883 ZN ZN A 196 3.561 7.932 1.771 1.00 0.00 ZN