USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 13 HIS :FLIP no HD1:sc= -0.308 F(o=-0.96,f=-0.31) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -176:sc= 0 (180deg=-0.0195) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -51:sc= 0.00758 USER MOD Single : A 12 CYS SG : rot 31:sc= 0.056 USER MOD Single : A 14 TYR OH : rot 90:sc= 0 USER MOD Single : A 18 THR OG1 : rot -69:sc= 0.089 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 34 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.35) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 36 TYR OH : rot 81:sc= 0.818 USER MOD Single : A 42 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0135) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0995 K(o=-0.099,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.051 USER MOD Single : A 62 CYS SG : rot -33:sc= 0.531 USER MOD Single : A 67 MET CE :methyl -168:sc= -1.08 (180deg=-1.32) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0238 F(o=-0.63,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.812 5.978 3.904 1.00 0.00 N ATOM 2 CA LEU A 1 10.392 6.329 3.831 1.00 0.00 C ATOM 3 C LEU A 1 9.653 5.366 2.944 1.00 0.00 C ATOM 4 O LEU A 1 10.196 4.867 1.959 1.00 0.00 O ATOM 5 CB LEU A 1 10.195 7.766 3.271 1.00 0.00 C ATOM 6 CG LEU A 1 10.836 8.913 4.095 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.638 10.274 3.401 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.349 8.954 5.555 1.00 0.00 C ATOM 0 H1 LEU A 1 12.292 6.612 4.574 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.910 4.994 4.228 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.243 6.078 2.963 1.00 0.00 H new ATOM 0 HA LEU A 1 9.996 6.279 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.603 7.800 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.125 7.959 3.189 1.00 0.00 H new ATOM 0 HG LEU A 1 11.904 8.701 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.098 11.059 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.104 10.251 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.572 10.476 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.835 9.778 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.269 9.098 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.599 8.015 6.048 1.00 0.00 H new ATOM 22 N CYS A 2 8.338 5.139 3.260 1.00 0.00 N ATOM 23 CA CYS A 2 7.340 4.325 2.594 1.00 0.00 C ATOM 24 C CYS A 2 7.167 4.997 1.271 1.00 0.00 C ATOM 25 O CYS A 2 7.128 6.222 1.218 1.00 0.00 O ATOM 26 CB CYS A 2 6.022 4.216 3.417 1.00 0.00 C ATOM 27 SG CYS A 2 4.702 3.246 2.611 1.00 0.00 S ATOM 0 H CYS A 2 7.936 5.585 4.085 1.00 0.00 H new ATOM 0 HA CYS A 2 7.643 3.284 2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.248 3.765 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.648 5.221 3.614 1.00 0.00 H new ATOM 32 N LEU A 3 7.093 4.217 0.173 1.00 0.00 N ATOM 33 CA LEU A 3 7.044 4.792 -1.145 1.00 0.00 C ATOM 34 C LEU A 3 5.673 4.685 -1.739 1.00 0.00 C ATOM 35 O LEU A 3 5.470 4.821 -2.945 1.00 0.00 O ATOM 36 CB LEU A 3 8.035 4.079 -2.070 1.00 0.00 C ATOM 37 CG LEU A 3 9.508 4.354 -1.696 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.476 3.415 -2.434 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.909 5.827 -1.909 1.00 0.00 C ATOM 0 H LEU A 3 7.067 3.198 0.194 1.00 0.00 H new ATOM 0 HA LEU A 3 7.307 5.845 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.850 3.005 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.860 4.398 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 3 9.587 4.147 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.500 3.644 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.248 2.381 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.367 3.553 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.954 5.964 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.775 6.092 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.282 6.468 -1.290 1.00 0.00 H new ATOM 51 N VAL A 4 4.703 4.442 -0.850 1.00 0.00 N ATOM 52 CA VAL A 4 3.316 4.244 -1.160 1.00 0.00 C ATOM 53 C VAL A 4 2.523 5.299 -0.480 1.00 0.00 C ATOM 54 O VAL A 4 1.905 6.130 -1.142 1.00 0.00 O ATOM 55 CB VAL A 4 2.812 2.841 -0.729 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.364 2.558 -1.159 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.814 1.755 -1.144 1.00 0.00 C ATOM 0 H VAL A 4 4.892 4.378 0.150 1.00 0.00 H new ATOM 0 HA VAL A 4 3.194 4.307 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 4 2.765 2.825 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.074 1.561 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.700 3.297 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.289 2.614 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.442 0.779 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.937 1.768 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.776 1.946 -0.667 1.00 0.00 H new ATOM 67 N CYS A 5 2.495 5.248 0.869 1.00 0.00 N ATOM 68 CA CYS A 5 1.711 6.149 1.670 1.00 0.00 C ATOM 69 C CYS A 5 2.642 7.097 2.358 1.00 0.00 C ATOM 70 O CYS A 5 2.289 7.683 3.375 1.00 0.00 O ATOM 71 CB CYS A 5 0.687 5.470 2.629 1.00 0.00 C ATOM 72 SG CYS A 5 1.316 4.453 4.021 1.00 0.00 S ATOM 0 H CYS A 5 3.026 4.569 1.414 1.00 0.00 H new ATOM 0 HA CYS A 5 1.052 6.702 1.001 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.060 6.255 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.039 4.836 2.024 1.00 0.00 H new ATOM 77 N SER A 6 3.844 7.288 1.752 1.00 0.00 N ATOM 78 CA SER A 6 4.826 8.339 2.020 1.00 0.00 C ATOM 79 C SER A 6 4.978 8.765 3.461 1.00 0.00 C ATOM 80 O SER A 6 4.760 9.916 3.840 1.00 0.00 O ATOM 81 CB SER A 6 4.627 9.534 1.063 1.00 0.00 C ATOM 82 OG SER A 6 4.097 9.128 -0.196 1.00 0.00 O ATOM 0 H SER A 6 4.161 6.660 1.014 1.00 0.00 H new ATOM 0 HA SER A 6 5.789 7.874 1.812 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.955 10.258 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.581 10.038 0.909 1.00 0.00 H new ATOM 0 HG SER A 6 3.984 9.913 -0.772 1.00 0.00 H new ATOM 88 N ASP A 7 5.330 7.758 4.282 1.00 0.00 N ATOM 89 CA ASP A 7 5.375 7.827 5.723 1.00 0.00 C ATOM 90 C ASP A 7 6.743 7.305 6.071 1.00 0.00 C ATOM 91 O ASP A 7 7.511 6.967 5.180 1.00 0.00 O ATOM 92 CB ASP A 7 4.238 6.886 6.232 1.00 0.00 C ATOM 93 CG ASP A 7 3.974 6.884 7.745 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.596 7.960 8.281 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.147 5.808 8.375 1.00 0.00 O ATOM 0 H ASP A 7 5.600 6.841 3.926 1.00 0.00 H new ATOM 0 HA ASP A 7 5.227 8.815 6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.314 7.163 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.476 5.867 5.926 1.00 0.00 H new ATOM 100 N GLU A 8 7.072 7.172 7.383 1.00 0.00 N ATOM 101 CA GLU A 8 8.314 6.624 7.898 1.00 0.00 C ATOM 102 C GLU A 8 8.293 5.131 7.619 1.00 0.00 C ATOM 103 O GLU A 8 7.368 4.449 8.061 1.00 0.00 O ATOM 104 CB GLU A 8 8.548 6.897 9.411 1.00 0.00 C ATOM 105 CG GLU A 8 7.328 7.479 10.165 1.00 0.00 C ATOM 106 CD GLU A 8 7.661 7.727 11.640 1.00 0.00 C ATOM 107 OE1 GLU A 8 8.522 8.606 11.917 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.054 7.044 12.508 1.00 0.00 O ATOM 0 H GLU A 8 6.438 7.462 8.127 1.00 0.00 H new ATOM 0 HA GLU A 8 9.144 7.121 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.843 5.964 9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.385 7.588 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.018 8.413 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.487 6.790 10.089 1.00 0.00 H new ATOM 115 N ALA A 9 9.300 4.595 6.871 1.00 0.00 N ATOM 116 CA ALA A 9 9.359 3.183 6.523 1.00 0.00 C ATOM 117 C ALA A 9 10.119 2.436 7.580 1.00 0.00 C ATOM 118 O ALA A 9 10.934 3.012 8.300 1.00 0.00 O ATOM 119 CB ALA A 9 9.918 2.860 5.124 1.00 0.00 C ATOM 0 H ALA A 9 10.079 5.143 6.505 1.00 0.00 H new ATOM 0 HA ALA A 9 8.321 2.854 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.916 1.781 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.296 3.335 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.938 3.236 5.044 1.00 0.00 H new ATOM 125 N SER A 10 9.826 1.114 7.687 1.00 0.00 N ATOM 126 CA SER A 10 10.390 0.230 8.678 1.00 0.00 C ATOM 127 C SER A 10 10.928 -0.985 7.960 1.00 0.00 C ATOM 128 O SER A 10 10.716 -2.122 8.381 1.00 0.00 O ATOM 129 CB SER A 10 9.342 -0.140 9.759 1.00 0.00 C ATOM 130 OG SER A 10 9.933 -0.739 10.910 1.00 0.00 O ATOM 0 H SER A 10 9.172 0.645 7.060 1.00 0.00 H new ATOM 0 HA SER A 10 11.204 0.723 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.801 0.758 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.610 -0.826 9.332 1.00 0.00 H new ATOM 0 HG SER A 10 10.512 -1.479 10.633 1.00 0.00 H new ATOM 136 N GLY A 11 11.662 -0.747 6.843 1.00 0.00 N ATOM 137 CA GLY A 11 12.326 -1.773 6.066 1.00 0.00 C ATOM 138 C GLY A 11 11.559 -2.069 4.817 1.00 0.00 C ATOM 139 O GLY A 11 10.351 -1.852 4.745 1.00 0.00 O ATOM 0 H GLY A 11 11.799 0.191 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.335 -1.448 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.425 -2.680 6.662 1.00 0.00 H new ATOM 143 N CYS A 12 12.272 -2.608 3.797 1.00 0.00 N ATOM 144 CA CYS A 12 11.729 -2.966 2.503 1.00 0.00 C ATOM 145 C CYS A 12 11.292 -4.409 2.541 1.00 0.00 C ATOM 146 O CYS A 12 11.957 -5.249 3.147 1.00 0.00 O ATOM 147 CB CYS A 12 12.735 -2.720 1.340 1.00 0.00 C ATOM 148 SG CYS A 12 14.415 -3.409 1.602 1.00 0.00 S ATOM 0 H CYS A 12 13.270 -2.804 3.875 1.00 0.00 H new ATOM 0 HA CYS A 12 10.874 -2.321 2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.322 -3.149 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.822 -1.646 1.177 1.00 0.00 H new ATOM 0 HG CYS A 12 14.336 -4.478 2.338 1.00 0.00 H new ATOM 154 N HIS A 13 10.144 -4.717 1.889 1.00 0.00 N ATOM 155 CA HIS A 13 9.615 -6.058 1.837 1.00 0.00 C ATOM 156 C HIS A 13 8.683 -6.077 0.668 1.00 0.00 C ATOM 157 O HIS A 13 7.879 -5.165 0.489 1.00 0.00 O ATOM 158 CB HIS A 13 8.878 -6.516 3.121 1.00 0.00 C ATOM 159 CG HIS A 13 9.496 -7.755 3.713 1.00 0.00 C ATOM 160 ND1 HIS A 13 9.202 -9.060 3.461 1.00 0.00 N flip ATOM 161 CD2 HIS A 13 10.560 -7.662 4.594 1.00 0.00 C flip ATOM 162 CE1 HIS A 13 10.093 -9.799 4.203 1.00 0.00 C flip ATOM 163 NE2 HIS A 13 10.883 -8.913 4.861 1.00 0.00 N flip ATOM 0 H HIS A 13 9.577 -4.029 1.393 1.00 0.00 H new ATOM 0 HA HIS A 13 10.443 -6.761 1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.899 -5.713 3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.830 -6.708 2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.023 -6.765 4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.153 -10.876 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.639 -9.183 5.490 1.00 0.00 H new ATOM 171 N TYR A 14 8.802 -7.151 -0.158 1.00 0.00 N ATOM 172 CA TYR A 14 8.049 -7.436 -1.377 1.00 0.00 C ATOM 173 C TYR A 14 8.644 -6.667 -2.525 1.00 0.00 C ATOM 174 O TYR A 14 8.047 -6.422 -3.564 1.00 0.00 O ATOM 175 CB TYR A 14 6.514 -7.362 -1.277 1.00 0.00 C ATOM 176 CG TYR A 14 6.071 -8.117 -0.040 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.441 -9.439 0.284 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.307 -7.414 0.876 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.091 -10.008 1.515 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.921 -7.975 2.092 1.00 0.00 C ATOM 181 CZ TYR A 14 5.330 -9.270 2.429 1.00 0.00 C ATOM 182 OH TYR A 14 4.985 -9.819 3.683 1.00 0.00 O ATOM 0 H TYR A 14 9.482 -7.886 0.039 1.00 0.00 H new ATOM 0 HA TYR A 14 8.170 -8.502 -1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.188 -6.323 -1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.056 -7.793 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.004 -10.023 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.002 -6.405 0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.407 -11.012 1.758 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.305 -7.409 2.775 1.00 0.00 H new ATOM 0 HH TYR A 14 5.680 -9.600 4.338 1.00 0.00 H new ATOM 192 N GLY A 15 9.914 -6.317 -2.314 1.00 0.00 N ATOM 193 CA GLY A 15 10.836 -5.728 -3.255 1.00 0.00 C ATOM 194 C GLY A 15 11.008 -4.246 -3.158 1.00 0.00 C ATOM 195 O GLY A 15 11.951 -3.717 -3.747 1.00 0.00 O ATOM 0 H GLY A 15 10.349 -6.454 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.811 -6.197 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.501 -5.970 -4.263 1.00 0.00 H new ATOM 199 N VAL A 16 10.116 -3.527 -2.428 1.00 0.00 N ATOM 200 CA VAL A 16 10.133 -2.079 -2.392 1.00 0.00 C ATOM 201 C VAL A 16 10.130 -1.647 -0.958 1.00 0.00 C ATOM 202 O VAL A 16 9.600 -2.331 -0.085 1.00 0.00 O ATOM 203 CB VAL A 16 8.883 -1.458 -3.082 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.989 0.036 -3.419 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.454 -2.206 -4.353 1.00 0.00 C ATOM 0 H VAL A 16 9.381 -3.949 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 16 11.021 -1.739 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 16 8.124 -1.570 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.067 0.368 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.149 0.605 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.827 0.197 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.578 -1.721 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.269 -2.191 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.211 -3.239 -4.103 1.00 0.00 H new ATOM 215 N LEU A 17 10.659 -0.415 -0.740 1.00 0.00 N ATOM 216 CA LEU A 17 10.751 0.287 0.525 1.00 0.00 C ATOM 217 C LEU A 17 9.355 0.743 0.860 1.00 0.00 C ATOM 218 O LEU A 17 8.748 1.511 0.115 1.00 0.00 O ATOM 219 CB LEU A 17 11.767 1.450 0.517 1.00 0.00 C ATOM 220 CG LEU A 17 12.058 2.113 1.888 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.546 1.115 2.957 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.044 3.286 1.738 1.00 0.00 C ATOM 0 H LEU A 17 11.052 0.132 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 17 11.140 -0.382 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.708 1.081 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.403 2.218 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 17 11.104 2.501 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.731 1.645 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.784 0.352 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.468 0.642 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.230 3.732 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.983 2.921 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.618 4.036 1.072 1.00 0.00 H new ATOM 234 N THR A 18 8.821 0.228 1.981 1.00 0.00 N ATOM 235 CA THR A 18 7.462 0.456 2.391 1.00 0.00 C ATOM 236 C THR A 18 7.501 0.558 3.869 1.00 0.00 C ATOM 237 O THR A 18 8.521 0.296 4.501 1.00 0.00 O ATOM 238 CB THR A 18 6.517 -0.746 2.025 1.00 0.00 C ATOM 239 OG1 THR A 18 7.220 -1.987 2.006 1.00 0.00 O ATOM 240 CG2 THR A 18 5.783 -0.560 0.697 1.00 0.00 C ATOM 0 H THR A 18 9.346 -0.365 2.624 1.00 0.00 H new ATOM 0 HA THR A 18 7.076 1.345 1.892 1.00 0.00 H new ATOM 0 HB THR A 18 5.768 -0.766 2.817 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.843 -1.999 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.149 -1.426 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.166 0.338 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.510 -0.459 -0.109 1.00 0.00 H new ATOM 248 N CYS A 19 6.332 0.915 4.461 1.00 0.00 N ATOM 249 CA CYS A 19 6.192 1.061 5.892 1.00 0.00 C ATOM 250 C CYS A 19 5.983 -0.302 6.524 1.00 0.00 C ATOM 251 O CYS A 19 6.170 -1.340 5.887 1.00 0.00 O ATOM 252 CB CYS A 19 5.187 2.144 6.390 1.00 0.00 C ATOM 253 SG CYS A 19 3.427 1.961 5.931 1.00 0.00 S ATOM 0 H CYS A 19 5.475 1.104 3.941 1.00 0.00 H new ATOM 0 HA CYS A 19 7.135 1.481 6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.246 2.179 7.478 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.529 3.111 6.021 1.00 0.00 H new ATOM 258 N GLY A 20 5.578 -0.315 7.815 1.00 0.00 N ATOM 259 CA GLY A 20 5.318 -1.518 8.577 1.00 0.00 C ATOM 260 C GLY A 20 3.980 -2.074 8.182 1.00 0.00 C ATOM 261 O GLY A 20 3.836 -3.277 7.978 1.00 0.00 O ATOM 0 H GLY A 20 5.425 0.539 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.100 -2.255 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.333 -1.297 9.644 1.00 0.00 H new ATOM 265 N SER A 21 2.992 -1.163 8.003 1.00 0.00 N ATOM 266 CA SER A 21 1.616 -1.451 7.662 1.00 0.00 C ATOM 267 C SER A 21 1.434 -1.903 6.228 1.00 0.00 C ATOM 268 O SER A 21 0.602 -2.771 5.997 1.00 0.00 O ATOM 269 CB SER A 21 0.699 -0.234 7.939 1.00 0.00 C ATOM 270 OG SER A 21 -0.683 -0.579 7.954 1.00 0.00 O ATOM 0 H SER A 21 3.164 -0.162 8.102 1.00 0.00 H new ATOM 0 HA SER A 21 1.327 -2.282 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.969 0.208 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.871 0.526 7.177 1.00 0.00 H new ATOM 0 HG SER A 21 -1.218 0.222 8.134 1.00 0.00 H new ATOM 276 N CYS A 22 2.201 -1.339 5.242 1.00 0.00 N ATOM 277 CA CYS A 22 2.074 -1.591 3.804 1.00 0.00 C ATOM 278 C CYS A 22 2.449 -2.994 3.437 1.00 0.00 C ATOM 279 O CYS A 22 1.923 -3.555 2.480 1.00 0.00 O ATOM 280 CB CYS A 22 2.785 -0.575 2.887 1.00 0.00 C ATOM 281 SG CYS A 22 1.761 0.925 2.695 1.00 0.00 S ATOM 0 H CYS A 22 2.946 -0.675 5.455 1.00 0.00 H new ATOM 0 HA CYS A 22 1.010 -1.450 3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.755 -0.311 3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.973 -1.024 1.911 1.00 0.00 H new ATOM 286 N LYS A 23 3.321 -3.598 4.272 1.00 0.00 N ATOM 287 CA LYS A 23 3.767 -4.969 4.219 1.00 0.00 C ATOM 288 C LYS A 23 2.594 -5.904 4.473 1.00 0.00 C ATOM 289 O LYS A 23 2.236 -6.730 3.639 1.00 0.00 O ATOM 290 CB LYS A 23 4.927 -5.238 5.213 1.00 0.00 C ATOM 291 CG LYS A 23 5.579 -6.635 5.131 1.00 0.00 C ATOM 292 CD LYS A 23 6.657 -6.877 6.203 1.00 0.00 C ATOM 293 CE LYS A 23 7.112 -8.344 6.266 1.00 0.00 C ATOM 294 NZ LYS A 23 8.216 -8.513 7.207 1.00 0.00 N ATOM 0 H LYS A 23 3.749 -3.090 5.046 1.00 0.00 H new ATOM 0 HA LYS A 23 4.160 -5.161 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.701 -4.488 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.552 -5.093 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.804 -7.395 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.025 -6.761 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.519 -6.242 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.268 -6.579 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.275 -8.975 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.421 -8.675 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.503 -9.512 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.021 -7.928 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.911 -8.219 8.157 1.00 0.00 H new ATOM 308 N VAL A 24 1.942 -5.717 5.643 1.00 0.00 N ATOM 309 CA VAL A 24 0.833 -6.497 6.177 1.00 0.00 C ATOM 310 C VAL A 24 -0.430 -6.335 5.378 1.00 0.00 C ATOM 311 O VAL A 24 -1.195 -7.277 5.189 1.00 0.00 O ATOM 312 CB VAL A 24 0.548 -6.157 7.673 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.479 -7.091 8.345 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.840 -6.101 8.510 1.00 0.00 C ATOM 0 H VAL A 24 2.206 -4.960 6.274 1.00 0.00 H new ATOM 0 HA VAL A 24 1.149 -7.537 6.104 1.00 0.00 H new ATOM 0 HB VAL A 24 0.100 -5.164 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.622 -6.789 9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.429 -7.028 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.113 -8.117 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.593 -5.861 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.341 -7.068 8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.501 -5.334 8.108 1.00 0.00 H new ATOM 324 N PHE A 25 -0.639 -5.100 4.885 1.00 0.00 N ATOM 325 CA PHE A 25 -1.719 -4.608 4.066 1.00 0.00 C ATOM 326 C PHE A 25 -1.788 -5.406 2.800 1.00 0.00 C ATOM 327 O PHE A 25 -2.786 -6.058 2.522 1.00 0.00 O ATOM 328 CB PHE A 25 -1.434 -3.121 3.737 1.00 0.00 C ATOM 329 CG PHE A 25 -2.375 -2.448 2.771 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.774 -2.487 2.906 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.812 -1.839 1.639 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.593 -1.951 1.903 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.625 -1.306 0.643 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.017 -1.366 0.767 1.00 0.00 C ATOM 0 H PHE A 25 0.029 -4.355 5.084 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.670 -4.700 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.445 -2.558 4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.424 -3.050 3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.218 -2.931 3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.738 -1.783 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.667 -1.989 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.180 -0.845 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.647 -0.962 -0.012 1.00 0.00 H new ATOM 344 N PHE A 26 -0.654 -5.370 2.071 1.00 0.00 N ATOM 345 CA PHE A 26 -0.397 -5.975 0.789 1.00 0.00 C ATOM 346 C PHE A 26 -0.428 -7.481 0.847 1.00 0.00 C ATOM 347 O PHE A 26 -0.988 -8.136 -0.018 1.00 0.00 O ATOM 348 CB PHE A 26 0.957 -5.451 0.237 1.00 0.00 C ATOM 349 CG PHE A 26 1.325 -5.945 -1.138 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.610 -5.526 -2.274 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.427 -6.795 -1.307 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.008 -5.929 -3.554 1.00 0.00 C ATOM 353 CE2 PHE A 26 2.829 -7.192 -2.585 1.00 0.00 C ATOM 354 CZ PHE A 26 2.114 -6.778 -3.709 1.00 0.00 C ATOM 0 H PHE A 26 0.165 -4.867 2.413 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.197 -5.687 0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.926 -4.362 0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.748 -5.735 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.254 -4.888 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.970 -7.146 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.464 -5.587 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.698 -7.823 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.410 -7.109 -4.693 1.00 0.00 H new ATOM 364 N LYS A 27 0.146 -8.066 1.909 1.00 0.00 N ATOM 365 CA LYS A 27 0.303 -9.502 2.088 1.00 0.00 C ATOM 366 C LYS A 27 -1.020 -10.201 2.352 1.00 0.00 C ATOM 367 O LYS A 27 -1.177 -11.379 2.036 1.00 0.00 O ATOM 368 CB LYS A 27 1.457 -9.831 3.067 1.00 0.00 C ATOM 369 CG LYS A 27 1.753 -11.319 3.356 1.00 0.00 C ATOM 370 CD LYS A 27 1.024 -11.920 4.579 1.00 0.00 C ATOM 371 CE LYS A 27 1.332 -11.251 5.936 1.00 0.00 C ATOM 372 NZ LYS A 27 2.750 -11.335 6.287 1.00 0.00 N ATOM 0 H LYS A 27 0.524 -7.527 2.688 1.00 0.00 H new ATOM 0 HA LYS A 27 0.626 -9.937 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.368 -9.378 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.240 -9.342 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.486 -11.902 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.827 -11.435 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.050 -11.864 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.281 -12.977 4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.030 -10.204 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.738 -11.727 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.908 -10.873 7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.034 -12.334 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.317 -10.858 5.557 1.00 0.00 H new ATOM 386 N ARG A 28 -2.015 -9.450 2.888 1.00 0.00 N ATOM 387 CA ARG A 28 -3.362 -9.912 3.157 1.00 0.00 C ATOM 388 C ARG A 28 -4.233 -9.588 1.968 1.00 0.00 C ATOM 389 O ARG A 28 -5.083 -10.384 1.579 1.00 0.00 O ATOM 390 CB ARG A 28 -3.954 -9.235 4.419 1.00 0.00 C ATOM 391 CG ARG A 28 -3.582 -9.858 5.785 1.00 0.00 C ATOM 392 CD ARG A 28 -2.118 -10.309 5.978 1.00 0.00 C ATOM 393 NE ARG A 28 -1.725 -10.236 7.435 1.00 0.00 N ATOM 394 CZ ARG A 28 -2.188 -11.107 8.388 1.00 0.00 C ATOM 395 NH1 ARG A 28 -2.665 -12.344 8.065 1.00 0.00 N ATOM 396 NH2 ARG A 28 -2.160 -10.723 9.699 1.00 0.00 N ATOM 0 H ARG A 28 -1.876 -8.473 3.147 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.329 -10.987 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.638 -8.192 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.040 -9.239 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.817 -9.132 6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.226 -10.722 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.995 -11.329 5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.456 -9.677 5.386 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.081 -9.500 7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.684 -12.645 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.002 -12.968 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.799 -9.803 9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.500 -11.356 10.423 1.00 0.00 H new ATOM 410 N ALA A 29 -3.997 -8.408 1.353 1.00 0.00 N ATOM 411 CA ALA A 29 -4.745 -7.816 0.254 1.00 0.00 C ATOM 412 C ALA A 29 -4.561 -8.520 -1.068 1.00 0.00 C ATOM 413 O ALA A 29 -5.397 -8.404 -1.962 1.00 0.00 O ATOM 414 CB ALA A 29 -4.385 -6.336 0.061 1.00 0.00 C ATOM 0 H ALA A 29 -3.221 -7.813 1.642 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.789 -7.925 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.962 -5.926 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.616 -5.784 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.321 -6.246 -0.158 1.00 0.00 H new ATOM 420 N VAL A 30 -3.434 -9.256 -1.206 1.00 0.00 N ATOM 421 CA VAL A 30 -3.027 -9.967 -2.395 1.00 0.00 C ATOM 422 C VAL A 30 -3.463 -11.395 -2.233 1.00 0.00 C ATOM 423 O VAL A 30 -4.247 -11.917 -3.026 1.00 0.00 O ATOM 424 CB VAL A 30 -1.485 -9.881 -2.626 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.967 -10.789 -3.754 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.980 -8.449 -2.881 1.00 0.00 C ATOM 0 H VAL A 30 -2.766 -9.362 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.492 -9.516 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.079 -10.239 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.112 -10.670 -3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.198 -11.828 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.447 -10.513 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.099 -8.465 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.465 -8.045 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.216 -7.822 -2.021 1.00 0.00 H new ATOM 436 N GLU A 31 -2.922 -12.043 -1.179 1.00 0.00 N ATOM 437 CA GLU A 31 -3.122 -13.439 -0.846 1.00 0.00 C ATOM 438 C GLU A 31 -4.198 -13.535 0.197 1.00 0.00 C ATOM 439 O GLU A 31 -4.013 -14.060 1.295 1.00 0.00 O ATOM 440 CB GLU A 31 -1.821 -14.138 -0.378 1.00 0.00 C ATOM 441 CG GLU A 31 -0.699 -14.198 -1.443 1.00 0.00 C ATOM 442 CD GLU A 31 -1.019 -15.174 -2.583 1.00 0.00 C ATOM 443 OE1 GLU A 31 -1.833 -14.806 -3.472 1.00 0.00 O ATOM 444 OE2 GLU A 31 -0.445 -16.296 -2.580 1.00 0.00 O ATOM 0 H GLU A 31 -2.308 -11.570 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.430 -13.967 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.441 -13.617 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.063 -15.154 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.542 -13.202 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.234 -14.496 -0.966 1.00 0.00 H new ATOM 451 N GLY A 32 -5.381 -13.026 -0.191 1.00 0.00 N ATOM 452 CA GLY A 32 -6.572 -13.058 0.615 1.00 0.00 C ATOM 453 C GLY A 32 -7.660 -12.416 -0.179 1.00 0.00 C ATOM 454 O GLY A 32 -8.764 -12.953 -0.264 1.00 0.00 O ATOM 0 H GLY A 32 -5.518 -12.576 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.836 -14.084 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.416 -12.526 1.554 1.00 0.00 H new ATOM 458 N GLN A 33 -7.367 -11.225 -0.771 1.00 0.00 N ATOM 459 CA GLN A 33 -8.245 -10.417 -1.586 1.00 0.00 C ATOM 460 C GLN A 33 -9.224 -9.668 -0.719 1.00 0.00 C ATOM 461 O GLN A 33 -10.203 -10.236 -0.235 1.00 0.00 O ATOM 462 CB GLN A 33 -8.926 -11.148 -2.773 1.00 0.00 C ATOM 463 CG GLN A 33 -9.122 -10.270 -4.030 1.00 0.00 C ATOM 464 CD GLN A 33 -10.328 -9.318 -3.924 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.402 -9.706 -3.452 1.00 0.00 O ATOM 466 NE2 GLN A 33 -10.132 -8.047 -4.392 1.00 0.00 N ATOM 0 H GLN A 33 -6.446 -10.799 -0.670 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.598 -9.699 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.327 -12.018 -3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.898 -11.519 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.219 -9.684 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.252 -10.915 -4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.225 -7.778 -4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.893 -7.369 -4.361 1.00 0.00 H new ATOM 475 N HIS A 34 -8.962 -8.353 -0.517 1.00 0.00 N ATOM 476 CA HIS A 34 -9.785 -7.475 0.284 1.00 0.00 C ATOM 477 C HIS A 34 -10.454 -6.548 -0.687 1.00 0.00 C ATOM 478 O HIS A 34 -9.949 -6.317 -1.785 1.00 0.00 O ATOM 479 CB HIS A 34 -8.993 -6.690 1.350 1.00 0.00 C ATOM 480 CG HIS A 34 -8.493 -7.606 2.435 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.829 -7.404 3.764 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.744 -8.733 2.305 1.00 0.00 C ATOM 483 CE1 HIS A 34 -8.277 -8.417 4.405 1.00 0.00 C ATOM 484 NE2 HIS A 34 -7.611 -9.253 3.569 1.00 0.00 N ATOM 0 H HIS A 34 -8.152 -7.885 -0.923 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.502 -8.060 0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.150 -6.182 0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.628 -5.918 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.336 -9.138 1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.347 -8.564 5.473 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.109 -10.102 3.829 1.00 0.00 H new ATOM 492 N ASN A 35 -11.629 -5.999 -0.295 1.00 0.00 N ATOM 493 CA ASN A 35 -12.430 -5.118 -1.121 1.00 0.00 C ATOM 494 C ASN A 35 -12.146 -3.714 -0.674 1.00 0.00 C ATOM 495 O ASN A 35 -12.306 -3.378 0.499 1.00 0.00 O ATOM 496 CB ASN A 35 -13.951 -5.382 -0.996 1.00 0.00 C ATOM 497 CG ASN A 35 -14.282 -6.813 -1.458 1.00 0.00 C ATOM 498 OD1 ASN A 35 -14.061 -7.163 -2.623 1.00 0.00 O ATOM 499 ND2 ASN A 35 -14.814 -7.645 -0.511 1.00 0.00 N ATOM 0 H ASN A 35 -12.038 -6.171 0.624 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.166 -5.291 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.268 -5.243 0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.503 -4.661 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.049 -8.608 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.975 -7.302 0.436 1.00 0.00 H new ATOM 506 N TYR A 36 -11.715 -2.862 -1.634 1.00 0.00 N ATOM 507 CA TYR A 36 -11.385 -1.482 -1.415 1.00 0.00 C ATOM 508 C TYR A 36 -12.081 -0.809 -2.574 1.00 0.00 C ATOM 509 O TYR A 36 -13.215 -0.354 -2.424 1.00 0.00 O ATOM 510 CB TYR A 36 -9.855 -1.207 -1.345 1.00 0.00 C ATOM 511 CG TYR A 36 -8.974 -2.361 -1.791 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.683 -2.572 -3.154 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.404 -3.233 -0.843 1.00 0.00 C ATOM 514 CE1 TYR A 36 -7.910 -3.664 -3.563 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.598 -4.303 -1.248 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.380 -4.541 -2.609 1.00 0.00 C ATOM 517 OH TYR A 36 -6.647 -5.676 -3.015 1.00 0.00 O ATOM 0 H TYR A 36 -11.592 -3.151 -2.605 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.709 -1.106 -0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.629 -0.337 -1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.595 -0.946 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.062 -1.881 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.591 -3.074 0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.722 -3.830 -4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.144 -4.946 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.726 -5.414 -3.222 1.00 0.00 H new ATOM 527 N LEU A 37 -11.415 -0.761 -3.759 1.00 0.00 N ATOM 528 CA LEU A 37 -11.887 -0.263 -5.042 1.00 0.00 C ATOM 529 C LEU A 37 -11.970 1.247 -5.103 1.00 0.00 C ATOM 530 O LEU A 37 -12.688 1.888 -4.335 1.00 0.00 O ATOM 531 CB LEU A 37 -13.197 -0.900 -5.587 1.00 0.00 C ATOM 532 CG LEU A 37 -13.083 -2.378 -6.051 1.00 0.00 C ATOM 533 CD1 LEU A 37 -12.795 -3.384 -4.920 1.00 0.00 C ATOM 534 CD2 LEU A 37 -14.331 -2.800 -6.851 1.00 0.00 C ATOM 0 H LEU A 37 -10.456 -1.102 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.100 -0.601 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.959 -0.840 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.549 -0.301 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.206 -2.409 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.732 -4.390 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.850 -3.130 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.599 -3.345 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.228 -3.839 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.217 -2.697 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.432 -2.163 -7.730 1.00 0.00 H new ATOM 546 N CYS A 38 -11.221 1.837 -6.067 1.00 0.00 N ATOM 547 CA CYS A 38 -11.174 3.253 -6.344 1.00 0.00 C ATOM 548 C CYS A 38 -10.731 3.302 -7.773 1.00 0.00 C ATOM 549 O CYS A 38 -9.776 3.973 -8.165 1.00 0.00 O ATOM 550 CB CYS A 38 -10.228 4.020 -5.405 1.00 0.00 C ATOM 551 SG CYS A 38 -10.409 5.824 -5.292 1.00 0.00 S ATOM 0 H CYS A 38 -10.616 1.297 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.133 3.744 -6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.349 3.610 -4.402 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.205 3.807 -5.716 1.00 0.00 H new ATOM 556 N ALA A 39 -11.497 2.540 -8.569 1.00 0.00 N ATOM 557 CA ALA A 39 -11.389 2.355 -9.986 1.00 0.00 C ATOM 558 C ALA A 39 -12.525 3.086 -10.641 1.00 0.00 C ATOM 559 O ALA A 39 -12.500 3.351 -11.843 1.00 0.00 O ATOM 560 CB ALA A 39 -11.458 0.871 -10.374 1.00 0.00 C ATOM 0 H ALA A 39 -12.270 1.999 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.424 2.741 -10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.373 0.774 -11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.641 0.331 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.410 0.453 -10.046 1.00 0.00 H new ATOM 566 N GLY A 40 -13.548 3.432 -9.822 1.00 0.00 N ATOM 567 CA GLY A 40 -14.749 4.129 -10.222 1.00 0.00 C ATOM 568 C GLY A 40 -14.632 5.593 -9.915 1.00 0.00 C ATOM 569 O GLY A 40 -15.463 6.381 -10.367 1.00 0.00 O ATOM 0 H GLY A 40 -13.537 3.214 -8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.921 3.987 -11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.610 3.710 -9.702 1.00 0.00 H new ATOM 573 N ARG A 41 -13.586 5.993 -9.142 1.00 0.00 N ATOM 574 CA ARG A 41 -13.318 7.360 -8.788 1.00 0.00 C ATOM 575 C ARG A 41 -11.948 7.621 -9.334 1.00 0.00 C ATOM 576 O ARG A 41 -11.805 8.170 -10.426 1.00 0.00 O ATOM 577 CB ARG A 41 -13.429 7.652 -7.271 1.00 0.00 C ATOM 578 CG ARG A 41 -14.832 7.403 -6.672 1.00 0.00 C ATOM 579 CD ARG A 41 -15.960 8.305 -7.218 1.00 0.00 C ATOM 580 NE ARG A 41 -15.754 9.751 -6.823 1.00 0.00 N ATOM 581 CZ ARG A 41 -15.973 10.219 -5.551 1.00 0.00 C ATOM 582 NH1 ARG A 41 -16.774 9.558 -4.664 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.399 11.399 -5.173 1.00 0.00 N ATOM 0 H ARG A 41 -12.908 5.338 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.067 8.031 -9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.706 7.032 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.150 8.691 -7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.104 6.363 -6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.775 7.537 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.997 8.225 -8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.921 7.957 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.438 10.409 -7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.231 8.689 -4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.915 9.934 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.818 11.918 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.551 11.762 -4.232 1.00 0.00 H new ATOM 597 N ASN A 42 -10.909 7.220 -8.557 1.00 0.00 N ATOM 598 CA ASN A 42 -9.480 7.360 -8.800 1.00 0.00 C ATOM 599 C ASN A 42 -9.167 8.845 -8.708 1.00 0.00 C ATOM 600 O ASN A 42 -8.793 9.493 -9.687 1.00 0.00 O ATOM 601 CB ASN A 42 -8.964 6.663 -10.101 1.00 0.00 C ATOM 602 CG ASN A 42 -7.431 6.681 -10.279 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.893 7.286 -11.214 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.745 5.982 -9.331 1.00 0.00 N ATOM 0 H ASN A 42 -11.084 6.750 -7.669 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.921 6.814 -8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.304 5.627 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.422 7.149 -10.963 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.727 5.937 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.250 5.504 -8.585 1.00 0.00 H new ATOM 611 N ASP A 43 -9.368 9.394 -7.490 1.00 0.00 N ATOM 612 CA ASP A 43 -9.188 10.792 -7.161 1.00 0.00 C ATOM 613 C ASP A 43 -8.076 10.989 -6.182 1.00 0.00 C ATOM 614 O ASP A 43 -7.097 11.672 -6.478 1.00 0.00 O ATOM 615 CB ASP A 43 -10.443 11.507 -6.540 1.00 0.00 C ATOM 616 CG ASP A 43 -11.394 10.735 -5.588 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.285 9.493 -5.432 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.263 11.428 -4.993 1.00 0.00 O ATOM 0 H ASP A 43 -9.672 8.839 -6.690 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.977 11.240 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.081 12.379 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.047 11.876 -7.369 1.00 0.00 H new ATOM 623 N CYS A 44 -8.254 10.422 -4.967 1.00 0.00 N ATOM 624 CA CYS A 44 -7.454 10.609 -3.794 1.00 0.00 C ATOM 625 C CYS A 44 -5.990 10.256 -3.944 1.00 0.00 C ATOM 626 O CYS A 44 -5.618 9.312 -4.637 1.00 0.00 O ATOM 627 CB CYS A 44 -8.035 9.859 -2.541 1.00 0.00 C ATOM 628 SG CYS A 44 -9.240 8.506 -2.866 1.00 0.00 S ATOM 0 H CYS A 44 -9.026 9.778 -4.797 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.504 11.687 -3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.200 9.442 -1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.517 10.595 -1.898 1.00 0.00 H new ATOM 633 N ILE A 45 -5.136 11.048 -3.244 1.00 0.00 N ATOM 634 CA ILE A 45 -3.702 10.865 -3.142 1.00 0.00 C ATOM 635 C ILE A 45 -3.583 10.080 -1.868 1.00 0.00 C ATOM 636 O ILE A 45 -4.384 10.261 -0.955 1.00 0.00 O ATOM 637 CB ILE A 45 -2.893 12.200 -3.065 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.135 13.086 -4.314 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.376 12.020 -2.796 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.674 12.477 -5.648 1.00 0.00 C ATOM 0 H ILE A 45 -5.463 11.860 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.284 10.378 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.285 12.714 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.200 13.306 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.622 14.037 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.895 12.997 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.233 11.509 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.932 11.427 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.887 13.173 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.602 12.283 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.205 11.542 -5.824 1.00 0.00 H new ATOM 652 N ILE A 46 -2.584 9.175 -1.804 1.00 0.00 N ATOM 653 CA ILE A 46 -2.362 8.308 -0.678 1.00 0.00 C ATOM 654 C ILE A 46 -1.046 8.731 -0.121 1.00 0.00 C ATOM 655 O ILE A 46 -0.024 8.731 -0.807 1.00 0.00 O ATOM 656 CB ILE A 46 -2.493 6.808 -1.090 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.704 6.134 -0.414 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.258 5.902 -0.973 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.025 6.865 -0.656 1.00 0.00 C ATOM 0 H ILE A 46 -1.910 9.041 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.114 8.395 0.107 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.635 6.899 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.792 5.111 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.523 6.073 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.515 4.893 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.459 6.293 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.923 5.876 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.832 6.334 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.957 7.880 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.229 6.903 -1.726 1.00 0.00 H new ATOM 671 N ASP A 47 -1.081 9.129 1.167 1.00 0.00 N ATOM 672 CA ASP A 47 0.080 9.575 1.875 1.00 0.00 C ATOM 673 C ASP A 47 -0.197 9.304 3.332 1.00 0.00 C ATOM 674 O ASP A 47 -1.093 8.536 3.673 1.00 0.00 O ATOM 675 CB ASP A 47 0.586 11.005 1.525 1.00 0.00 C ATOM 676 CG ASP A 47 -0.419 12.132 1.809 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.467 12.181 1.113 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.145 12.952 2.724 1.00 0.00 O ATOM 0 H ASP A 47 -1.934 9.141 1.726 1.00 0.00 H new ATOM 0 HA ASP A 47 0.958 9.015 1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.498 11.200 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.852 11.032 0.468 1.00 0.00 H new ATOM 683 N LYS A 48 0.602 9.945 4.217 1.00 0.00 N ATOM 684 CA LYS A 48 0.673 9.828 5.659 1.00 0.00 C ATOM 685 C LYS A 48 -0.595 10.197 6.407 1.00 0.00 C ATOM 686 O LYS A 48 -0.705 9.947 7.607 1.00 0.00 O ATOM 687 CB LYS A 48 1.889 10.688 6.098 1.00 0.00 C ATOM 688 CG LYS A 48 2.095 10.985 7.595 1.00 0.00 C ATOM 689 CD LYS A 48 3.448 11.660 7.892 1.00 0.00 C ATOM 690 CE LYS A 48 3.601 12.176 9.334 1.00 0.00 C ATOM 691 NZ LYS A 48 2.738 13.330 9.595 1.00 0.00 N ATOM 0 H LYS A 48 1.281 10.628 3.881 1.00 0.00 H new ATOM 0 HA LYS A 48 0.794 8.777 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.790 10.193 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.819 11.644 5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.289 11.629 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.028 10.054 8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.248 10.948 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.582 12.495 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.359 11.376 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.640 12.452 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.932 13.700 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.927 14.071 8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.741 13.039 9.533 1.00 0.00 H new ATOM 705 N ILE A 49 -1.579 10.785 5.699 1.00 0.00 N ATOM 706 CA ILE A 49 -2.820 11.271 6.243 1.00 0.00 C ATOM 707 C ILE A 49 -3.960 10.558 5.574 1.00 0.00 C ATOM 708 O ILE A 49 -4.881 10.056 6.218 1.00 0.00 O ATOM 709 CB ILE A 49 -2.922 12.812 6.007 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.809 13.606 6.740 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.324 13.405 6.268 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.715 13.373 8.256 1.00 0.00 C ATOM 0 H ILE A 49 -1.508 10.931 4.692 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.862 11.080 7.315 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.753 12.934 4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.849 13.350 6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.970 14.669 6.563 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.306 14.479 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.048 12.933 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.609 13.222 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.905 13.976 8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.655 13.659 8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.517 12.319 8.451 1.00 0.00 H new ATOM 724 N ARG A 50 -3.909 10.555 4.231 1.00 0.00 N ATOM 725 CA ARG A 50 -4.945 10.102 3.329 1.00 0.00 C ATOM 726 C ARG A 50 -5.000 8.609 3.132 1.00 0.00 C ATOM 727 O ARG A 50 -5.822 8.112 2.365 1.00 0.00 O ATOM 728 CB ARG A 50 -4.817 10.806 1.963 1.00 0.00 C ATOM 729 CG ARG A 50 -4.943 12.340 2.060 1.00 0.00 C ATOM 730 CD ARG A 50 -4.862 13.056 0.696 1.00 0.00 C ATOM 731 NE ARG A 50 -5.061 14.543 0.879 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.112 15.356 1.448 1.00 0.00 C ATOM 733 NH1 ARG A 50 -2.787 15.030 1.447 1.00 0.00 N ATOM 734 NH2 ARG A 50 -4.506 16.529 2.030 1.00 0.00 N ATOM 0 H ARG A 50 -3.087 10.892 3.730 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.883 10.374 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.854 10.554 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.587 10.426 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.892 12.588 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.153 12.720 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.894 12.865 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.622 12.659 0.022 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.938 14.960 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.476 14.160 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.107 15.656 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.492 16.789 2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.814 17.144 2.457 1.00 0.00 H new ATOM 748 N ARG A 51 -4.167 7.852 3.887 1.00 0.00 N ATOM 749 CA ARG A 51 -4.080 6.393 3.844 1.00 0.00 C ATOM 750 C ARG A 51 -5.323 5.727 4.400 1.00 0.00 C ATOM 751 O ARG A 51 -5.712 4.640 3.977 1.00 0.00 O ATOM 752 CB ARG A 51 -2.816 5.789 4.513 1.00 0.00 C ATOM 753 CG ARG A 51 -2.738 5.744 6.059 1.00 0.00 C ATOM 754 CD ARG A 51 -2.858 7.097 6.780 1.00 0.00 C ATOM 755 NE ARG A 51 -2.861 6.828 8.263 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.178 7.780 9.198 1.00 0.00 C ATOM 757 NH1 ARG A 51 -3.852 8.921 8.875 1.00 0.00 N ATOM 758 NH2 ARG A 51 -2.832 7.563 10.502 1.00 0.00 N ATOM 0 H ARG A 51 -3.521 8.265 4.560 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.996 6.175 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.705 4.768 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.953 6.351 4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.529 5.089 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.790 5.287 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.026 7.748 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.773 7.609 6.482 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.615 5.893 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.138 9.089 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.070 9.607 9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.347 6.705 10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.059 8.259 11.212 1.00 0.00 H new ATOM 772 N LYS A 52 -5.959 6.415 5.382 1.00 0.00 N ATOM 773 CA LYS A 52 -7.112 6.030 6.136 1.00 0.00 C ATOM 774 C LYS A 52 -8.376 6.475 5.440 1.00 0.00 C ATOM 775 O LYS A 52 -9.478 6.123 5.857 1.00 0.00 O ATOM 776 CB LYS A 52 -7.007 6.686 7.532 1.00 0.00 C ATOM 777 CG LYS A 52 -7.882 6.061 8.629 1.00 0.00 C ATOM 778 CD LYS A 52 -7.706 6.740 10.002 1.00 0.00 C ATOM 779 CE LYS A 52 -8.577 6.143 11.123 1.00 0.00 C ATOM 780 NZ LYS A 52 -8.150 4.794 11.497 1.00 0.00 N ATOM 0 H LYS A 52 -5.622 7.334 5.669 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.153 4.945 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.967 6.645 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.271 7.740 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.928 6.124 8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.639 5.002 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.659 6.671 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.940 7.800 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.534 6.791 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.617 6.116 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.765 4.433 12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.215 4.167 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.166 4.822 11.833 1.00 0.00 H new ATOM 794 N ASN A 53 -8.229 7.256 4.339 1.00 0.00 N ATOM 795 CA ASN A 53 -9.308 7.801 3.545 1.00 0.00 C ATOM 796 C ASN A 53 -9.665 6.815 2.466 1.00 0.00 C ATOM 797 O ASN A 53 -10.801 6.805 1.992 1.00 0.00 O ATOM 798 CB ASN A 53 -8.994 9.153 2.831 1.00 0.00 C ATOM 799 CG ASN A 53 -8.652 10.289 3.820 1.00 0.00 C ATOM 800 OD1 ASN A 53 -8.522 10.105 5.033 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.496 11.523 3.243 1.00 0.00 N ATOM 0 H ASN A 53 -7.310 7.521 3.984 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.114 7.989 4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.158 9.011 2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.853 9.448 2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.264 12.331 3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.612 11.633 2.236 1.00 0.00 H new ATOM 808 N CYS A 54 -8.686 5.968 2.047 1.00 0.00 N ATOM 809 CA CYS A 54 -8.883 5.039 0.961 1.00 0.00 C ATOM 810 C CYS A 54 -7.775 4.002 1.069 1.00 0.00 C ATOM 811 O CYS A 54 -6.606 4.375 1.019 1.00 0.00 O ATOM 812 CB CYS A 54 -8.833 5.800 -0.389 1.00 0.00 C ATOM 813 SG CYS A 54 -9.036 4.864 -1.918 1.00 0.00 S ATOM 0 H CYS A 54 -7.756 5.929 2.464 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.855 4.548 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.607 6.567 -0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.875 6.317 -0.442 1.00 0.00 H new ATOM 818 N PRO A 55 -8.112 2.691 1.167 1.00 0.00 N ATOM 819 CA PRO A 55 -7.147 1.599 1.098 1.00 0.00 C ATOM 820 C PRO A 55 -7.203 0.928 -0.273 1.00 0.00 C ATOM 821 O PRO A 55 -7.026 -0.286 -0.354 1.00 0.00 O ATOM 822 CB PRO A 55 -7.612 0.681 2.221 1.00 0.00 C ATOM 823 CG PRO A 55 -9.140 0.810 2.199 1.00 0.00 C ATOM 824 CD PRO A 55 -9.390 2.248 1.726 1.00 0.00 C ATOM 0 HA PRO A 55 -6.107 1.903 1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.296 -0.348 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.200 0.987 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.591 0.084 1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.569 0.635 3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.182 2.285 0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.702 2.887 2.552 1.00 0.00 H new ATOM 832 N ALA A 56 -7.437 1.671 -1.390 1.00 0.00 N ATOM 833 CA ALA A 56 -7.605 1.165 -2.736 1.00 0.00 C ATOM 834 C ALA A 56 -6.466 1.692 -3.551 1.00 0.00 C ATOM 835 O ALA A 56 -5.788 0.944 -4.252 1.00 0.00 O ATOM 836 CB ALA A 56 -8.895 1.647 -3.410 1.00 0.00 C ATOM 0 H ALA A 56 -7.513 2.687 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.643 0.077 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.958 1.231 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.755 1.318 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.891 2.735 -3.468 1.00 0.00 H new ATOM 842 N CYS A 57 -6.229 3.029 -3.431 1.00 0.00 N ATOM 843 CA CYS A 57 -5.179 3.801 -4.039 1.00 0.00 C ATOM 844 C CYS A 57 -3.823 3.336 -3.620 1.00 0.00 C ATOM 845 O CYS A 57 -2.944 3.181 -4.450 1.00 0.00 O ATOM 846 CB CYS A 57 -5.323 5.314 -3.762 1.00 0.00 C ATOM 847 SG CYS A 57 -6.711 6.143 -4.623 1.00 0.00 S ATOM 0 H CYS A 57 -6.833 3.614 -2.854 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.282 3.641 -5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.445 5.459 -2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.394 5.808 -4.047 1.00 0.00 H new ATOM 852 N ARG A 58 -3.657 3.025 -2.321 1.00 0.00 N ATOM 853 CA ARG A 58 -2.436 2.518 -1.726 1.00 0.00 C ATOM 854 C ARG A 58 -2.102 1.118 -2.183 1.00 0.00 C ATOM 855 O ARG A 58 -0.948 0.705 -2.103 1.00 0.00 O ATOM 856 CB ARG A 58 -2.354 2.612 -0.188 1.00 0.00 C ATOM 857 CG ARG A 58 -3.673 2.362 0.556 1.00 0.00 C ATOM 858 CD ARG A 58 -3.552 2.604 2.074 1.00 0.00 C ATOM 859 NE ARG A 58 -2.689 1.528 2.687 1.00 0.00 N ATOM 860 CZ ARG A 58 -2.551 1.378 4.042 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.450 1.905 4.926 1.00 0.00 N ATOM 862 NH2 ARG A 58 -1.489 0.664 4.521 1.00 0.00 N ATOM 0 H ARG A 58 -4.410 3.129 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.680 3.206 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.615 1.892 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.987 3.603 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.445 3.014 0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.997 1.336 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.117 3.586 2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.540 2.599 2.534 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.190 0.888 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.255 2.429 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.316 1.774 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.816 0.254 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.369 0.541 5.526 1.00 0.00 H new ATOM 876 N TYR A 59 -3.110 0.360 -2.695 1.00 0.00 N ATOM 877 CA TYR A 59 -2.931 -0.992 -3.198 1.00 0.00 C ATOM 878 C TYR A 59 -2.378 -0.880 -4.604 1.00 0.00 C ATOM 879 O TYR A 59 -1.420 -1.568 -4.951 1.00 0.00 O ATOM 880 CB TYR A 59 -4.246 -1.816 -3.175 1.00 0.00 C ATOM 881 CG TYR A 59 -4.059 -3.257 -3.618 1.00 0.00 C ATOM 882 CD1 TYR A 59 -3.501 -4.218 -2.752 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.434 -3.656 -4.915 1.00 0.00 C ATOM 884 CE1 TYR A 59 -3.337 -5.548 -3.170 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.259 -4.980 -5.337 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.710 -5.927 -4.465 1.00 0.00 C ATOM 887 OH TYR A 59 -3.559 -7.268 -4.881 1.00 0.00 O ATOM 0 H TYR A 59 -4.072 0.692 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.240 -1.532 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.657 -1.804 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.979 -1.336 -3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.197 -3.929 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.862 -2.932 -5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.923 -6.279 -2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.548 -5.270 -6.336 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.867 -7.360 -5.807 1.00 0.00 H new ATOM 897 N ARG A 60 -2.939 0.053 -5.424 1.00 0.00 N ATOM 898 CA ARG A 60 -2.534 0.272 -6.802 1.00 0.00 C ATOM 899 C ARG A 60 -1.200 0.992 -6.892 1.00 0.00 C ATOM 900 O ARG A 60 -0.450 0.806 -7.847 1.00 0.00 O ATOM 901 CB ARG A 60 -3.663 0.868 -7.687 1.00 0.00 C ATOM 902 CG ARG A 60 -3.896 2.392 -7.614 1.00 0.00 C ATOM 903 CD ARG A 60 -5.354 2.889 -7.757 1.00 0.00 C ATOM 904 NE ARG A 60 -5.904 2.721 -9.155 1.00 0.00 N ATOM 905 CZ ARG A 60 -6.377 1.534 -9.653 1.00 0.00 C ATOM 906 NH1 ARG A 60 -6.838 0.543 -8.835 1.00 0.00 N ATOM 907 NH2 ARG A 60 -6.432 1.359 -11.007 1.00 0.00 N ATOM 0 H ARG A 60 -3.693 0.671 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.358 -0.708 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.449 0.610 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.596 0.372 -7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.509 2.748 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.300 2.863 -8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.987 2.345 -7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.402 3.942 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.925 3.539 -9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.837 0.675 -7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.184 -0.329 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.124 2.105 -11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.781 0.482 -11.394 1.00 0.00 H new ATOM 921 N LYS A 61 -0.884 1.793 -5.835 1.00 0.00 N ATOM 922 CA LYS A 61 0.271 2.648 -5.662 1.00 0.00 C ATOM 923 C LYS A 61 1.510 1.850 -5.390 1.00 0.00 C ATOM 924 O LYS A 61 2.547 2.066 -6.010 1.00 0.00 O ATOM 925 CB LYS A 61 -0.004 3.681 -4.549 1.00 0.00 C ATOM 926 CG LYS A 61 1.103 4.678 -4.170 1.00 0.00 C ATOM 927 CD LYS A 61 1.123 5.984 -4.986 1.00 0.00 C ATOM 928 CE LYS A 61 1.411 5.786 -6.484 1.00 0.00 C ATOM 929 NZ LYS A 61 1.554 7.066 -7.174 1.00 0.00 N ATOM 0 H LYS A 61 -1.501 1.843 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 61 0.449 3.187 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.880 4.258 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.274 3.130 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.996 4.930 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.068 4.184 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.160 6.483 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.878 6.650 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.323 5.201 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.602 5.214 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.747 6.897 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.675 7.613 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.342 7.600 -6.755 1.00 0.00 H new ATOM 943 N CYS A 62 1.396 0.875 -4.458 1.00 0.00 N ATOM 944 CA CYS A 62 2.444 -0.027 -4.030 1.00 0.00 C ATOM 945 C CYS A 62 2.883 -0.933 -5.167 1.00 0.00 C ATOM 946 O CYS A 62 4.072 -1.164 -5.360 1.00 0.00 O ATOM 947 CB CYS A 62 2.108 -0.740 -2.686 1.00 0.00 C ATOM 948 SG CYS A 62 0.899 -2.106 -2.729 1.00 0.00 S ATOM 0 H CYS A 62 0.517 0.703 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 62 3.329 0.559 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.038 -1.128 -2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.738 0.013 -1.990 1.00 0.00 H new ATOM 0 HG CYS A 62 0.003 -1.864 -3.639 1.00 0.00 H new ATOM 954 N LEU A 63 1.906 -1.376 -6.007 1.00 0.00 N ATOM 955 CA LEU A 63 2.096 -2.189 -7.195 1.00 0.00 C ATOM 956 C LEU A 63 2.836 -1.413 -8.261 1.00 0.00 C ATOM 957 O LEU A 63 3.688 -1.968 -8.953 1.00 0.00 O ATOM 958 CB LEU A 63 0.767 -2.716 -7.785 1.00 0.00 C ATOM 959 CG LEU A 63 0.124 -3.872 -6.983 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.342 -4.091 -7.400 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.936 -5.177 -7.105 1.00 0.00 C ATOM 0 H LEU A 63 0.924 -1.153 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 63 2.685 -3.050 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.057 -1.891 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.946 -3.054 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 63 0.136 -3.580 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.767 -4.910 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.913 -3.181 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.386 -4.338 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.450 -5.963 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.989 -5.476 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.944 -5.016 -6.722 1.00 0.00 H new ATOM 973 N GLN A 64 2.553 -0.080 -8.356 1.00 0.00 N ATOM 974 CA GLN A 64 3.150 0.877 -9.263 1.00 0.00 C ATOM 975 C GLN A 64 4.615 1.077 -8.953 1.00 0.00 C ATOM 976 O GLN A 64 5.435 1.294 -9.846 1.00 0.00 O ATOM 977 CB GLN A 64 2.410 2.235 -9.215 1.00 0.00 C ATOM 978 CG GLN A 64 2.624 3.123 -10.456 1.00 0.00 C ATOM 979 CD GLN A 64 1.957 4.496 -10.275 1.00 0.00 C ATOM 980 OE1 GLN A 64 2.650 5.507 -10.112 1.00 0.00 O ATOM 981 NE2 GLN A 64 0.589 4.519 -10.307 1.00 0.00 N ATOM 0 H GLN A 64 1.855 0.355 -7.752 1.00 0.00 H new ATOM 0 HA GLN A 64 3.058 0.470 -10.270 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.343 2.049 -9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.738 2.782 -8.331 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.691 3.254 -10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.213 2.629 -11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.067 3.653 -10.445 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.091 5.402 -10.193 1.00 0.00 H new ATOM 990 N ALA A 65 4.947 0.952 -7.642 1.00 0.00 N ATOM 991 CA ALA A 65 6.251 1.117 -7.041 1.00 0.00 C ATOM 992 C ALA A 65 7.190 0.019 -7.463 1.00 0.00 C ATOM 993 O ALA A 65 8.375 0.253 -7.696 1.00 0.00 O ATOM 994 CB ALA A 65 6.194 1.228 -5.510 1.00 0.00 C ATOM 0 H ALA A 65 4.241 0.715 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 65 6.639 2.066 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.203 1.350 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.588 2.090 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.750 0.323 -5.096 1.00 0.00 H new ATOM 1000 N GLY A 66 6.631 -1.209 -7.567 1.00 0.00 N ATOM 1001 CA GLY A 66 7.323 -2.388 -8.031 1.00 0.00 C ATOM 1002 C GLY A 66 7.161 -3.520 -7.068 1.00 0.00 C ATOM 1003 O GLY A 66 7.951 -4.463 -7.105 1.00 0.00 O ATOM 0 H GLY A 66 5.658 -1.390 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.937 -2.679 -9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.382 -2.165 -8.160 1.00 0.00 H new ATOM 1007 N MET A 67 6.109 -3.481 -6.197 1.00 0.00 N ATOM 1008 CA MET A 67 5.852 -4.482 -5.167 1.00 0.00 C ATOM 1009 C MET A 67 5.439 -5.798 -5.797 1.00 0.00 C ATOM 1010 O MET A 67 4.845 -5.823 -6.875 1.00 0.00 O ATOM 1011 CB MET A 67 4.766 -4.088 -4.145 1.00 0.00 C ATOM 1012 CG MET A 67 5.158 -2.929 -3.205 1.00 0.00 C ATOM 1013 SD MET A 67 6.098 -3.438 -1.726 1.00 0.00 S ATOM 1014 CE MET A 67 4.771 -4.092 -0.662 1.00 0.00 C ATOM 0 H MET A 67 5.416 -2.732 -6.208 1.00 0.00 H new ATOM 0 HA MET A 67 6.795 -4.569 -4.627 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.861 -3.810 -4.685 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.521 -4.961 -3.541 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.752 -2.208 -3.767 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.251 -2.415 -2.885 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.154 -4.241 0.347 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.944 -3.383 -0.635 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.420 -5.044 -1.061 1.00 0.00 H new ATOM 1024 N ASN A 68 5.765 -6.921 -5.118 1.00 0.00 N ATOM 1025 CA ASN A 68 5.472 -8.249 -5.595 1.00 0.00 C ATOM 1026 C ASN A 68 5.748 -9.076 -4.390 1.00 0.00 C ATOM 1027 O ASN A 68 6.829 -9.020 -3.817 1.00 0.00 O ATOM 1028 CB ASN A 68 6.368 -8.750 -6.774 1.00 0.00 C ATOM 1029 CG ASN A 68 5.753 -9.826 -7.705 1.00 0.00 C ATOM 1030 OD1 ASN A 68 4.556 -10.390 -7.358 1.00 0.00 O flip ATOM 1031 ND2 ASN A 68 6.377 -10.149 -8.724 1.00 0.00 N flip ATOM 0 H ASN A 68 6.243 -6.907 -4.217 1.00 0.00 H new ATOM 0 HA ASN A 68 4.462 -8.296 -6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.642 -7.889 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.291 -9.150 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.267 -9.700 -8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.002 -10.864 -9.347 1.00 0.00 H new ATOM 1038 N LEU A 69 4.774 -9.905 -3.980 1.00 0.00 N ATOM 1039 CA LEU A 69 4.814 -10.713 -2.777 1.00 0.00 C ATOM 1040 C LEU A 69 5.340 -12.096 -3.130 1.00 0.00 C ATOM 1041 O LEU A 69 5.058 -13.114 -2.503 1.00 0.00 O ATOM 1042 CB LEU A 69 3.447 -10.553 -2.062 1.00 0.00 C ATOM 1043 CG LEU A 69 2.878 -11.637 -1.122 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.630 -11.709 0.213 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.375 -11.385 -0.919 1.00 0.00 C ATOM 0 H LEU A 69 3.909 -10.026 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 69 5.528 -10.398 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.503 -9.633 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.703 -10.392 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 69 3.019 -12.611 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.190 -12.487 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.679 -11.942 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.556 -10.749 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.965 -12.147 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.228 -10.400 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.865 -11.429 -1.882 1.00 0.00 H new ATOM 1057 N GLU A 70 6.202 -12.088 -4.170 1.00 0.00 N ATOM 1058 CA GLU A 70 6.971 -13.152 -4.740 1.00 0.00 C ATOM 1059 C GLU A 70 8.060 -12.395 -5.460 1.00 0.00 C ATOM 1060 O GLU A 70 8.291 -12.559 -6.658 1.00 0.00 O ATOM 1061 CB GLU A 70 6.221 -14.073 -5.731 1.00 0.00 C ATOM 1062 CG GLU A 70 5.025 -14.842 -5.129 1.00 0.00 C ATOM 1063 CD GLU A 70 4.420 -15.800 -6.160 1.00 0.00 C ATOM 1064 OE1 GLU A 70 5.106 -16.792 -6.526 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.262 -15.553 -6.592 1.00 0.00 O ATOM 0 H GLU A 70 6.377 -11.217 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 70 7.294 -13.850 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.863 -13.469 -6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.929 -14.794 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.351 -15.402 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.266 -14.136 -4.792 1.00 0.00 H new ATOM 1072 N ALA A 71 8.751 -11.522 -4.690 1.00 0.00 N ATOM 1073 CA ALA A 71 9.820 -10.648 -5.129 1.00 0.00 C ATOM 1074 C ALA A 71 11.112 -11.197 -4.596 1.00 0.00 C ATOM 1075 O ALA A 71 11.123 -12.066 -3.724 1.00 0.00 O ATOM 1076 CB ALA A 71 9.644 -9.199 -4.628 1.00 0.00 C ATOM 0 H ALA A 71 8.553 -11.417 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 71 9.810 -10.615 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.472 -8.587 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.705 -8.795 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.631 -9.190 -3.538 1.00 0.00 H new ATOM 1082 N ARG A 72 12.240 -10.679 -5.137 1.00 0.00 N ATOM 1083 CA ARG A 72 13.579 -11.071 -4.774 1.00 0.00 C ATOM 1084 C ARG A 72 14.405 -9.772 -4.795 1.00 0.00 C ATOM 1085 O ARG A 72 14.953 -9.406 -3.721 1.00 0.00 O ATOM 1086 CB ARG A 72 14.162 -12.131 -5.745 1.00 0.00 C ATOM 1087 CG ARG A 72 15.553 -12.692 -5.382 1.00 0.00 C ATOM 1088 CD ARG A 72 15.585 -13.436 -4.037 1.00 0.00 C ATOM 1089 NE ARG A 72 16.969 -13.997 -3.833 1.00 0.00 N ATOM 1090 CZ ARG A 72 17.366 -14.542 -2.640 1.00 0.00 C ATOM 1091 NH1 ARG A 72 16.745 -14.237 -1.462 1.00 0.00 N ATOM 1092 NH2 ARG A 72 18.423 -15.408 -2.631 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.492 -9.133 -5.879 1.00 0.00 O ATOM 0 H ARG A 72 12.218 -9.957 -5.857 1.00 0.00 H new ATOM 0 HA ARG A 72 13.597 -11.547 -3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.461 -12.964 -5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.219 -11.690 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.879 -13.370 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.270 -11.871 -5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.327 -12.758 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.847 -14.238 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 72 17.632 -13.970 -4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.960 -13.585 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.066 -14.661 -0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.901 -15.638 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.734 -15.824 -1.753 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.791 2.677 3.798 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.818 6.364 -3.683 1.00 0.00 ZN