USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 373 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 40 CYS SG : rot 42:sc=-0.00745 USER MOD Set 1.2: A 43 CYS SG : rot -57:sc= -0.681! USER MOD Set 1.3: A 55 HIS : no HD1:sc= -1.76 X(o=-2.7,f=-2.7) USER MOD Set 1.4: A 58 CYS SG : rot 133:sc= -0.199 USER MOD Set 2.1: A 14 ASN : amide:sc= 0 X(o=0.92,f=0.97) USER MOD Set 2.2: A 39 SER OG : rot -70:sc= 0.925 USER MOD Set 3.1: A 13 CYS SG : rot 70:sc= -0.257 USER MOD Set 3.2: A 16 CYS SG : rot -49:sc= -0.513 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -1.59! C(o=-2.3!,f=-4.5!) USER MOD Set 3.4: A 32 CYS SG : rot -166:sc= 0.0726 USER MOD Single : A 8 MET CE :methyl 141:sc= -2.93! (180deg=-4.46!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 36:sc= 0.305 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc=-0.00798 (180deg=-0.119) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.8!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc=-0.00183 USER MOD Single : A 37 CYS SG : rot -140:sc= -0.382 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0678 (180deg=-0.42) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 7.637 14.704 3.526 1.00 0.00 N ATOM 67 CA MET A 8 7.504 13.939 2.292 1.00 0.00 C ATOM 68 C MET A 8 6.191 13.161 2.273 1.00 0.00 C ATOM 69 O MET A 8 5.556 12.971 3.311 1.00 0.00 O ATOM 70 CB MET A 8 8.682 12.977 2.134 1.00 0.00 C ATOM 71 CG MET A 8 9.042 12.690 0.685 1.00 0.00 C ATOM 72 SD MET A 8 10.378 11.488 0.526 1.00 0.00 S ATOM 73 CE MET A 8 9.691 10.099 1.424 1.00 0.00 C ATOM 0 HA MET A 8 7.502 14.640 1.458 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.552 13.395 2.640 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.443 12.038 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.160 12.319 0.162 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.335 13.619 0.196 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.947 9.172 0.912 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.100 10.080 2.434 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.607 10.198 1.474 1.00 0.00 H new ATOM 83 N VAL A 9 5.790 12.714 1.087 1.00 0.00 N ATOM 84 CA VAL A 9 4.554 11.957 0.934 1.00 0.00 C ATOM 85 C VAL A 9 4.765 10.486 1.274 1.00 0.00 C ATOM 86 O VAL A 9 5.747 9.874 0.850 1.00 0.00 O ATOM 87 CB VAL A 9 4.002 12.067 -0.499 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.743 11.228 -0.653 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.730 13.521 -0.855 1.00 0.00 C ATOM 0 H VAL A 9 6.303 12.863 0.218 1.00 0.00 H new ATOM 0 HA VAL A 9 3.832 12.387 1.627 1.00 0.00 H new ATOM 0 HB VAL A 9 4.753 11.682 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.368 11.319 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.974 10.184 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.984 11.580 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.340 13.580 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.998 13.935 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.656 14.091 -0.788 1.00 0.00 H new ATOM 99 N PHE A 10 3.838 9.922 2.040 1.00 0.00 N ATOM 100 CA PHE A 10 3.922 8.521 2.438 1.00 0.00 C ATOM 101 C PHE A 10 2.833 7.696 1.758 1.00 0.00 C ATOM 102 O PHE A 10 2.017 8.226 1.004 1.00 0.00 O ATOM 103 CB PHE A 10 3.801 8.392 3.958 1.00 0.00 C ATOM 104 CG PHE A 10 4.932 9.038 4.706 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.046 10.418 4.760 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.881 8.265 5.356 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.086 11.015 5.448 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.922 8.857 6.046 1.00 0.00 C ATOM 109 CZ PHE A 10 7.025 10.234 6.091 1.00 0.00 C ATOM 0 H PHE A 10 3.019 10.413 2.398 1.00 0.00 H new ATOM 0 HA PHE A 10 4.893 8.138 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.861 8.840 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.757 7.336 4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.314 11.034 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.806 7.188 5.323 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.164 12.092 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.654 8.244 6.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.839 10.698 6.628 1.00 0.00 H new ATOM 119 N PHE A 11 2.829 6.396 2.030 1.00 0.00 N ATOM 120 CA PHE A 11 1.842 5.496 1.443 1.00 0.00 C ATOM 121 C PHE A 11 1.654 4.255 2.311 1.00 0.00 C ATOM 122 O PHE A 11 2.504 3.927 3.140 1.00 0.00 O ATOM 123 CB PHE A 11 2.269 5.086 0.033 1.00 0.00 C ATOM 124 CG PHE A 11 2.547 6.252 -0.873 1.00 0.00 C ATOM 125 CD1 PHE A 11 3.738 6.953 -0.775 1.00 0.00 C ATOM 126 CD2 PHE A 11 1.617 6.647 -1.820 1.00 0.00 C ATOM 127 CE1 PHE A 11 3.997 8.026 -1.607 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.870 7.719 -2.655 1.00 0.00 C ATOM 129 CZ PHE A 11 3.061 8.410 -2.547 1.00 0.00 C ATOM 0 H PHE A 11 3.497 5.942 2.652 1.00 0.00 H new ATOM 0 HA PHE A 11 0.891 6.026 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.163 4.466 0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.486 4.470 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.472 6.658 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.683 6.111 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.930 8.563 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.137 8.016 -3.391 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.260 9.249 -3.197 1.00 0.00 H new ATOM 139 N THR A 12 0.534 3.567 2.115 1.00 0.00 N ATOM 140 CA THR A 12 0.232 2.363 2.880 1.00 0.00 C ATOM 141 C THR A 12 -0.083 1.191 1.958 1.00 0.00 C ATOM 142 O THR A 12 -1.186 1.089 1.420 1.00 0.00 O ATOM 143 CB THR A 12 -0.957 2.586 3.832 1.00 0.00 C ATOM 144 OG1 THR A 12 -0.585 3.491 4.878 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.422 1.270 4.436 1.00 0.00 C ATOM 0 H THR A 12 -0.180 3.823 1.433 1.00 0.00 H new ATOM 0 HA THR A 12 1.120 2.131 3.468 1.00 0.00 H new ATOM 0 HB THR A 12 -1.778 3.014 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.348 3.629 5.478 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.263 1.454 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.733 0.594 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.604 0.818 4.997 1.00 0.00 H new ATOM 153 N CYS A 13 0.892 0.306 1.779 1.00 0.00 N ATOM 154 CA CYS A 13 0.719 -0.861 0.922 1.00 0.00 C ATOM 155 C CYS A 13 -0.585 -1.584 1.244 1.00 0.00 C ATOM 156 O CYS A 13 -0.986 -1.675 2.404 1.00 0.00 O ATOM 157 CB CYS A 13 1.900 -1.819 1.086 1.00 0.00 C ATOM 158 SG CYS A 13 1.787 -3.320 0.060 1.00 0.00 S ATOM 0 H CYS A 13 1.811 0.375 2.216 1.00 0.00 H new ATOM 0 HA CYS A 13 0.678 -0.519 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.820 -1.290 0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.974 -2.112 2.133 1.00 0.00 H new ATOM 0 HG CYS A 13 1.948 -3.004 -1.191 1.00 0.00 H new ATOM 163 N ASN A 14 -1.242 -2.096 0.209 1.00 0.00 N ATOM 164 CA ASN A 14 -2.502 -2.811 0.381 1.00 0.00 C ATOM 165 C ASN A 14 -2.282 -4.320 0.328 1.00 0.00 C ATOM 166 O ASN A 14 -3.105 -5.095 0.817 1.00 0.00 O ATOM 167 CB ASN A 14 -3.502 -2.392 -0.698 1.00 0.00 C ATOM 168 CG ASN A 14 -4.263 -1.135 -0.324 1.00 0.00 C ATOM 169 OD1 ASN A 14 -4.000 -0.055 -0.854 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.212 -1.269 0.595 1.00 0.00 N ATOM 0 H ASN A 14 -0.923 -2.029 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.906 -2.554 1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.972 -2.227 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.209 -3.204 -0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.757 -0.458 0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.396 -2.183 1.008 1.00 0.00 H new ATOM 177 N ALA A 15 -1.167 -4.730 -0.267 1.00 0.00 N ATOM 178 CA ALA A 15 -0.838 -6.145 -0.382 1.00 0.00 C ATOM 179 C ALA A 15 -0.620 -6.771 0.992 1.00 0.00 C ATOM 180 O ALA A 15 -1.238 -7.782 1.330 1.00 0.00 O ATOM 181 CB ALA A 15 0.397 -6.331 -1.250 1.00 0.00 C ATOM 0 H ALA A 15 -0.476 -4.102 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.680 -6.651 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.631 -7.393 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.207 -5.928 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.240 -5.805 -0.801 1.00 0.00 H new ATOM 187 N CYS A 16 0.261 -6.165 1.780 1.00 0.00 N ATOM 188 CA CYS A 16 0.562 -6.663 3.117 1.00 0.00 C ATOM 189 C CYS A 16 -0.004 -5.731 4.184 1.00 0.00 C ATOM 190 O CYS A 16 -0.570 -6.182 5.179 1.00 0.00 O ATOM 191 CB CYS A 16 2.074 -6.809 3.301 1.00 0.00 C ATOM 192 SG CYS A 16 2.987 -5.234 3.235 1.00 0.00 S ATOM 0 H CYS A 16 0.780 -5.327 1.516 1.00 0.00 H new ATOM 0 HA CYS A 16 0.093 -7.641 3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.268 -7.289 4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.461 -7.473 2.528 1.00 0.00 H new ATOM 0 HG CYS A 16 2.617 -4.562 2.186 1.00 0.00 H new ATOM 197 N GLY A 17 0.154 -4.429 3.969 1.00 0.00 N ATOM 198 CA GLY A 17 -0.346 -3.454 4.921 1.00 0.00 C ATOM 199 C GLY A 17 0.748 -2.899 5.811 1.00 0.00 C ATOM 200 O GLY A 17 0.746 -3.124 7.021 1.00 0.00 O ATOM 0 H GLY A 17 0.619 -4.032 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.822 -2.635 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.114 -3.917 5.540 1.00 0.00 H new ATOM 204 N GLU A 18 1.686 -2.172 5.211 1.00 0.00 N ATOM 205 CA GLU A 18 2.792 -1.586 5.959 1.00 0.00 C ATOM 206 C GLU A 18 3.062 -0.156 5.499 1.00 0.00 C ATOM 207 O GLU A 18 2.909 0.167 4.321 1.00 0.00 O ATOM 208 CB GLU A 18 4.055 -2.434 5.794 1.00 0.00 C ATOM 209 CG GLU A 18 4.184 -3.541 6.826 1.00 0.00 C ATOM 210 CD GLU A 18 5.577 -4.140 6.869 1.00 0.00 C ATOM 211 OE1 GLU A 18 6.229 -4.201 5.806 1.00 0.00 O ATOM 212 OE2 GLU A 18 6.014 -4.546 7.966 1.00 0.00 O ATOM 0 H GLU A 18 1.702 -1.975 4.210 1.00 0.00 H new ATOM 0 HA GLU A 18 2.513 -1.564 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.058 -2.876 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.929 -1.786 5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.932 -3.146 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.462 -4.326 6.603 1.00 0.00 H new ATOM 219 N SER A 19 3.465 0.695 6.437 1.00 0.00 N ATOM 220 CA SER A 19 3.752 2.091 6.130 1.00 0.00 C ATOM 221 C SER A 19 5.086 2.223 5.401 1.00 0.00 C ATOM 222 O SER A 19 6.126 1.796 5.903 1.00 0.00 O ATOM 223 CB SER A 19 3.775 2.923 7.413 1.00 0.00 C ATOM 224 OG SER A 19 4.724 2.416 8.334 1.00 0.00 O ATOM 0 H SER A 19 3.600 0.442 7.416 1.00 0.00 H new ATOM 0 HA SER A 19 2.962 2.464 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.014 3.959 7.174 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.785 2.921 7.869 1.00 0.00 H new ATOM 0 HG SER A 19 5.503 2.076 7.847 1.00 0.00 H new ATOM 230 N VAL A 20 5.048 2.819 4.214 1.00 0.00 N ATOM 231 CA VAL A 20 6.253 3.009 3.415 1.00 0.00 C ATOM 232 C VAL A 20 6.296 4.408 2.810 1.00 0.00 C ATOM 233 O VAL A 20 5.283 4.924 2.338 1.00 0.00 O ATOM 234 CB VAL A 20 6.346 1.969 2.283 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.633 2.154 1.492 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.255 0.559 2.846 1.00 0.00 C ATOM 0 H VAL A 20 4.196 3.179 3.784 1.00 0.00 H new ATOM 0 HA VAL A 20 7.102 2.880 4.087 1.00 0.00 H new ATOM 0 HB VAL A 20 5.506 2.120 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.681 1.410 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.652 3.153 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.489 2.031 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.322 -0.163 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.073 0.393 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.304 0.435 3.363 1.00 0.00 H new ATOM 246 N LYS A 21 7.477 5.017 2.827 1.00 0.00 N ATOM 247 CA LYS A 21 7.655 6.357 2.278 1.00 0.00 C ATOM 248 C LYS A 21 7.616 6.330 0.754 1.00 0.00 C ATOM 249 O LYS A 21 7.634 5.263 0.140 1.00 0.00 O ATOM 250 CB LYS A 21 8.981 6.953 2.755 1.00 0.00 C ATOM 251 CG LYS A 21 9.141 6.951 4.266 1.00 0.00 C ATOM 252 CD LYS A 21 10.538 7.383 4.679 1.00 0.00 C ATOM 253 CE LYS A 21 10.529 8.075 6.034 1.00 0.00 C ATOM 254 NZ LYS A 21 11.854 7.993 6.707 1.00 0.00 N ATOM 0 H LYS A 21 8.325 4.604 3.215 1.00 0.00 H new ATOM 0 HA LYS A 21 6.835 6.981 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.803 6.392 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.061 7.977 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.405 7.621 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.939 5.952 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.193 6.512 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.949 8.057 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.251 9.121 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.770 7.619 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.807 8.476 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.108 6.995 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.574 8.451 6.112 1.00 0.00 H new ATOM 268 N LYS A 22 7.564 7.511 0.147 1.00 0.00 N ATOM 269 CA LYS A 22 7.525 7.624 -1.306 1.00 0.00 C ATOM 270 C LYS A 22 8.754 6.974 -1.935 1.00 0.00 C ATOM 271 O LYS A 22 8.636 6.162 -2.853 1.00 0.00 O ATOM 272 CB LYS A 22 7.445 9.095 -1.722 1.00 0.00 C ATOM 273 CG LYS A 22 7.113 9.295 -3.190 1.00 0.00 C ATOM 274 CD LYS A 22 6.740 10.738 -3.486 1.00 0.00 C ATOM 275 CE LYS A 22 7.970 11.581 -3.786 1.00 0.00 C ATOM 276 NZ LYS A 22 8.534 11.280 -5.131 1.00 0.00 N ATOM 0 H LYS A 22 7.548 8.404 0.640 1.00 0.00 H new ATOM 0 HA LYS A 22 6.636 7.103 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.689 9.595 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.398 9.578 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.969 9.007 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.288 8.640 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.058 10.772 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.208 11.160 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.709 12.638 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.729 11.400 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.199 12.031 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.034 10.369 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.763 11.229 -5.827 1.00 0.00 H new ATOM 290 N ILE A 23 9.930 7.335 -1.435 1.00 0.00 N ATOM 291 CA ILE A 23 11.179 6.784 -1.946 1.00 0.00 C ATOM 292 C ILE A 23 11.403 5.365 -1.437 1.00 0.00 C ATOM 293 O ILE A 23 12.115 4.577 -2.060 1.00 0.00 O ATOM 294 CB ILE A 23 12.384 7.657 -1.549 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.556 7.666 -0.028 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.209 9.074 -2.075 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.641 8.604 0.452 1.00 0.00 C ATOM 0 H ILE A 23 10.045 8.007 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 23 11.095 6.768 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 23 13.283 7.233 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.611 7.950 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.785 6.655 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.069 9.678 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.130 9.051 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.302 9.509 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.707 8.558 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.596 8.308 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.403 9.623 0.145 1.00 0.00 H new ATOM 309 N GLN A 24 10.790 5.046 -0.301 1.00 0.00 N ATOM 310 CA GLN A 24 10.923 3.720 0.291 1.00 0.00 C ATOM 311 C GLN A 24 10.134 2.686 -0.506 1.00 0.00 C ATOM 312 O GLN A 24 10.187 1.491 -0.216 1.00 0.00 O ATOM 313 CB GLN A 24 10.441 3.737 1.743 1.00 0.00 C ATOM 314 CG GLN A 24 11.486 4.245 2.724 1.00 0.00 C ATOM 315 CD GLN A 24 12.433 3.155 3.185 1.00 0.00 C ATOM 316 OE1 GLN A 24 12.080 2.321 4.019 1.00 0.00 O ATOM 317 NE2 GLN A 24 13.645 3.155 2.642 1.00 0.00 N ATOM 0 H GLN A 24 10.197 5.687 0.227 1.00 0.00 H new ATOM 0 HA GLN A 24 11.977 3.443 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.552 4.364 1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.144 2.728 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.059 5.045 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.986 4.677 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.896 3.865 1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.325 2.445 2.913 1.00 0.00 H new ATOM 326 N VAL A 25 9.402 3.155 -1.512 1.00 0.00 N ATOM 327 CA VAL A 25 8.603 2.271 -2.352 1.00 0.00 C ATOM 328 C VAL A 25 9.486 1.283 -3.107 1.00 0.00 C ATOM 329 O VAL A 25 9.331 0.070 -2.973 1.00 0.00 O ATOM 330 CB VAL A 25 7.762 3.069 -3.366 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.199 2.147 -4.437 1.00 0.00 C ATOM 332 CG2 VAL A 25 6.645 3.820 -2.657 1.00 0.00 C ATOM 0 H VAL A 25 9.346 4.142 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 25 7.935 1.723 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 25 8.409 3.799 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.608 2.729 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.019 1.659 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.567 1.391 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.061 4.378 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.998 3.109 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.074 4.511 -1.932 1.00 0.00 H new ATOM 342 N GLU A 26 10.412 1.812 -3.900 1.00 0.00 N ATOM 343 CA GLU A 26 11.320 0.976 -4.677 1.00 0.00 C ATOM 344 C GLU A 26 11.862 -0.171 -3.829 1.00 0.00 C ATOM 345 O GLU A 26 11.900 -1.320 -4.270 1.00 0.00 O ATOM 346 CB GLU A 26 12.479 1.813 -5.223 1.00 0.00 C ATOM 347 CG GLU A 26 13.676 1.877 -4.289 1.00 0.00 C ATOM 348 CD GLU A 26 14.841 2.643 -4.886 1.00 0.00 C ATOM 349 OE1 GLU A 26 14.631 3.794 -5.324 1.00 0.00 O ATOM 350 OE2 GLU A 26 15.961 2.093 -4.915 1.00 0.00 O ATOM 0 H GLU A 26 10.553 2.815 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 26 10.761 0.555 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.797 1.398 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.125 2.826 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.377 2.349 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.998 0.864 -4.047 1.00 0.00 H new ATOM 357 N LYS A 27 12.281 0.149 -2.610 1.00 0.00 N ATOM 358 CA LYS A 27 12.821 -0.853 -1.698 1.00 0.00 C ATOM 359 C LYS A 27 11.744 -1.852 -1.287 1.00 0.00 C ATOM 360 O LYS A 27 11.993 -3.056 -1.218 1.00 0.00 O ATOM 361 CB LYS A 27 13.407 -0.179 -0.456 1.00 0.00 C ATOM 362 CG LYS A 27 13.937 -1.160 0.576 1.00 0.00 C ATOM 363 CD LYS A 27 14.709 -0.451 1.676 1.00 0.00 C ATOM 364 CE LYS A 27 16.162 -0.232 1.285 1.00 0.00 C ATOM 365 NZ LYS A 27 16.973 -1.470 1.451 1.00 0.00 N ATOM 0 H LYS A 27 12.257 1.095 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 27 13.612 -1.393 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.215 0.486 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.640 0.442 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.106 -1.714 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.584 -1.889 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.240 0.509 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.662 -1.040 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.213 0.099 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.586 0.565 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.957 -1.280 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.945 -1.772 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.584 -2.223 0.849 1.00 0.00 H new ATOM 379 N HIS A 28 10.545 -1.345 -1.017 1.00 0.00 N ATOM 380 CA HIS A 28 9.429 -2.193 -0.615 1.00 0.00 C ATOM 381 C HIS A 28 9.136 -3.246 -1.680 1.00 0.00 C ATOM 382 O HIS A 28 9.207 -4.446 -1.416 1.00 0.00 O ATOM 383 CB HIS A 28 8.182 -1.345 -0.363 1.00 0.00 C ATOM 384 CG HIS A 28 7.068 -2.099 0.297 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.012 -2.321 1.657 1.00 0.00 N ATOM 386 CD2 HIS A 28 5.964 -2.683 -0.224 1.00 0.00 C ATOM 387 CE1 HIS A 28 5.921 -3.010 1.943 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.268 -3.242 0.819 1.00 0.00 N ATOM 0 H HIS A 28 10.322 -0.351 -1.069 1.00 0.00 H new ATOM 0 HA HIS A 28 9.706 -2.702 0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.452 -0.493 0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.826 -0.945 -1.313 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.683 -2.705 -1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.615 -3.329 2.929 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.389 -3.753 0.739 1.00 0.00 H new ATOM 396 N VAL A 29 8.806 -2.788 -2.883 1.00 0.00 N ATOM 397 CA VAL A 29 8.502 -3.690 -3.988 1.00 0.00 C ATOM 398 C VAL A 29 9.461 -4.875 -4.009 1.00 0.00 C ATOM 399 O VAL A 29 9.048 -6.017 -4.213 1.00 0.00 O ATOM 400 CB VAL A 29 8.574 -2.962 -5.343 1.00 0.00 C ATOM 401 CG1 VAL A 29 8.012 -3.839 -6.451 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.833 -1.635 -5.275 1.00 0.00 C ATOM 0 H VAL A 29 8.742 -1.797 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 29 7.485 -4.051 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 29 9.620 -2.757 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.071 -3.308 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.590 -4.761 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.971 -4.078 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.894 -1.134 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.787 -1.815 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.286 -1.004 -4.510 1.00 0.00 H new ATOM 412 N SER A 30 10.743 -4.596 -3.795 1.00 0.00 N ATOM 413 CA SER A 30 11.762 -5.639 -3.792 1.00 0.00 C ATOM 414 C SER A 30 11.367 -6.782 -2.862 1.00 0.00 C ATOM 415 O SER A 30 11.527 -7.955 -3.199 1.00 0.00 O ATOM 416 CB SER A 30 13.112 -5.061 -3.364 1.00 0.00 C ATOM 417 OG SER A 30 14.124 -6.053 -3.395 1.00 0.00 O ATOM 0 H SER A 30 11.100 -3.657 -3.621 1.00 0.00 H new ATOM 0 HA SER A 30 11.848 -6.032 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.385 -4.238 -4.025 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.032 -4.649 -2.358 1.00 0.00 H new ATOM 0 HG SER A 30 14.977 -5.658 -3.119 1.00 0.00 H new ATOM 423 N ASN A 31 10.849 -6.431 -1.690 1.00 0.00 N ATOM 424 CA ASN A 31 10.431 -7.427 -0.709 1.00 0.00 C ATOM 425 C ASN A 31 8.994 -7.870 -0.964 1.00 0.00 C ATOM 426 O ASN A 31 8.714 -9.063 -1.092 1.00 0.00 O ATOM 427 CB ASN A 31 10.560 -6.863 0.707 1.00 0.00 C ATOM 428 CG ASN A 31 10.377 -7.928 1.772 1.00 0.00 C ATOM 429 OD1 ASN A 31 9.322 -8.556 1.863 1.00 0.00 O ATOM 430 ND2 ASN A 31 11.407 -8.135 2.584 1.00 0.00 N ATOM 0 H ASN A 31 10.708 -5.465 -1.396 1.00 0.00 H new ATOM 0 HA ASN A 31 11.083 -8.295 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.540 -6.401 0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.818 -6.077 0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.343 -8.838 3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.262 -7.591 2.472 1.00 0.00 H new ATOM 437 N CYS A 32 8.086 -6.903 -1.036 1.00 0.00 N ATOM 438 CA CYS A 32 6.677 -7.192 -1.275 1.00 0.00 C ATOM 439 C CYS A 32 6.419 -7.452 -2.757 1.00 0.00 C ATOM 440 O CYS A 32 6.634 -6.579 -3.597 1.00 0.00 O ATOM 441 CB CYS A 32 5.807 -6.031 -0.791 1.00 0.00 C ATOM 442 SG CYS A 32 4.097 -6.505 -0.378 1.00 0.00 S ATOM 0 H CYS A 32 8.301 -5.911 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 32 6.416 -8.090 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.272 -5.585 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.783 -5.262 -1.563 1.00 0.00 H new ATOM 0 HG CYS A 32 3.366 -5.436 -0.261 1.00 0.00 H new ATOM 447 N ARG A 33 5.956 -8.658 -3.068 1.00 0.00 N ATOM 448 CA ARG A 33 5.670 -9.034 -4.448 1.00 0.00 C ATOM 449 C ARG A 33 4.195 -8.819 -4.774 1.00 0.00 C ATOM 450 O ARG A 33 3.832 -8.588 -5.927 1.00 0.00 O ATOM 451 CB ARG A 33 6.049 -10.496 -4.690 1.00 0.00 C ATOM 452 CG ARG A 33 7.515 -10.696 -5.038 1.00 0.00 C ATOM 453 CD ARG A 33 7.746 -10.619 -6.540 1.00 0.00 C ATOM 454 NE ARG A 33 9.076 -11.091 -6.913 1.00 0.00 N ATOM 455 CZ ARG A 33 9.378 -11.562 -8.118 1.00 0.00 C ATOM 456 NH1 ARG A 33 8.448 -11.622 -9.062 1.00 0.00 N ATOM 457 NH2 ARG A 33 10.612 -11.972 -8.382 1.00 0.00 N ATOM 0 H ARG A 33 5.771 -9.391 -2.384 1.00 0.00 H new ATOM 0 HA ARG A 33 6.266 -8.399 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.814 -11.076 -3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.435 -10.893 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.116 -9.937 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.850 -11.664 -4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.992 -11.215 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.620 -9.589 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 33 9.814 -11.057 -6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.499 -11.306 -8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.682 -11.984 -9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.330 -11.926 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.842 -12.333 -9.308 1.00 0.00 H new ATOM 471 N ASN A 34 3.350 -8.896 -3.751 1.00 0.00 N ATOM 472 CA ASN A 34 1.915 -8.710 -3.930 1.00 0.00 C ATOM 473 C ASN A 34 1.571 -7.231 -4.073 1.00 0.00 C ATOM 474 O ASN A 34 0.452 -6.876 -4.447 1.00 0.00 O ATOM 475 CB ASN A 34 1.151 -9.311 -2.748 1.00 0.00 C ATOM 476 CG ASN A 34 1.178 -10.827 -2.753 1.00 0.00 C ATOM 477 OD1 ASN A 34 0.554 -11.468 -3.599 1.00 0.00 O ATOM 478 ND2 ASN A 34 1.904 -11.409 -1.805 1.00 0.00 N ATOM 0 H ASN A 34 3.634 -9.086 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 34 1.619 -9.223 -4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.583 -8.946 -1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.117 -8.969 -2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.960 -12.426 -1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.405 -10.839 -1.124 1.00 0.00 H new ATOM 485 N CYS A 35 2.539 -6.373 -3.773 1.00 0.00 N ATOM 486 CA CYS A 35 2.339 -4.931 -3.868 1.00 0.00 C ATOM 487 C CYS A 35 2.018 -4.519 -5.301 1.00 0.00 C ATOM 488 O CYS A 35 2.881 -4.563 -6.177 1.00 0.00 O ATOM 489 CB CYS A 35 3.584 -4.189 -3.379 1.00 0.00 C ATOM 490 SG CYS A 35 3.728 -2.498 -4.001 1.00 0.00 S ATOM 0 H CYS A 35 3.470 -6.650 -3.462 1.00 0.00 H new ATOM 0 HA CYS A 35 1.493 -4.665 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.574 -4.164 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.469 -4.751 -3.677 1.00 0.00 H new ATOM 0 HG CYS A 35 4.811 -1.953 -3.531 1.00 0.00 H new ATOM 496 N GLU A 36 0.771 -4.122 -5.532 1.00 0.00 N ATOM 497 CA GLU A 36 0.335 -3.705 -6.860 1.00 0.00 C ATOM 498 C GLU A 36 -0.227 -2.287 -6.828 1.00 0.00 C ATOM 499 O GLU A 36 -0.197 -1.573 -7.831 1.00 0.00 O ATOM 500 CB GLU A 36 -0.719 -4.672 -7.402 1.00 0.00 C ATOM 501 CG GLU A 36 -0.141 -5.987 -7.900 1.00 0.00 C ATOM 502 CD GLU A 36 0.246 -5.936 -9.365 1.00 0.00 C ATOM 503 OE1 GLU A 36 -0.299 -5.080 -10.094 1.00 0.00 O ATOM 504 OE2 GLU A 36 1.094 -6.752 -9.782 1.00 0.00 O ATOM 0 H GLU A 36 0.045 -4.080 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 36 1.202 -3.718 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.447 -4.879 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.257 -4.189 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.736 -6.243 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.872 -6.781 -7.748 1.00 0.00 H new ATOM 511 N CYS A 37 -0.741 -1.887 -5.670 1.00 0.00 N ATOM 512 CA CYS A 37 -1.312 -0.555 -5.507 1.00 0.00 C ATOM 513 C CYS A 37 -0.832 0.088 -4.210 1.00 0.00 C ATOM 514 O CYS A 37 -0.452 -0.605 -3.265 1.00 0.00 O ATOM 515 CB CYS A 37 -2.840 -0.628 -5.519 1.00 0.00 C ATOM 516 SG CYS A 37 -3.533 -1.786 -4.316 1.00 0.00 S ATOM 0 H CYS A 37 -0.774 -2.466 -4.831 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.978 0.061 -6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.242 0.366 -5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.172 -0.916 -6.517 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.530 -2.425 -4.853 1.00 0.00 H new ATOM 522 N LEU A 38 -0.849 1.415 -4.172 1.00 0.00 N ATOM 523 CA LEU A 38 -0.414 2.153 -2.991 1.00 0.00 C ATOM 524 C LEU A 38 -1.416 3.244 -2.630 1.00 0.00 C ATOM 525 O LEU A 38 -1.831 4.027 -3.485 1.00 0.00 O ATOM 526 CB LEU A 38 0.965 2.770 -3.231 1.00 0.00 C ATOM 527 CG LEU A 38 2.123 1.785 -3.392 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.376 2.506 -3.863 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.386 1.053 -2.084 1.00 0.00 C ATOM 0 H LEU A 38 -1.159 2.003 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.353 1.453 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.913 3.388 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.193 3.435 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 38 1.847 1.050 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.189 1.789 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.182 2.983 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.656 3.264 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.213 0.356 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.641 1.775 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.492 0.503 -1.789 1.00 0.00 H new ATOM 541 N SER A 39 -1.800 3.291 -1.359 1.00 0.00 N ATOM 542 CA SER A 39 -2.756 4.285 -0.884 1.00 0.00 C ATOM 543 C SER A 39 -2.057 5.354 -0.049 1.00 0.00 C ATOM 544 O SER A 39 -1.517 5.068 1.020 1.00 0.00 O ATOM 545 CB SER A 39 -3.855 3.614 -0.059 1.00 0.00 C ATOM 546 OG SER A 39 -4.856 3.062 -0.897 1.00 0.00 O ATOM 0 H SER A 39 -1.464 2.652 -0.639 1.00 0.00 H new ATOM 0 HA SER A 39 -3.207 4.764 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.421 2.829 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.303 4.342 0.617 1.00 0.00 H new ATOM 0 HG SER A 39 -5.372 3.785 -1.310 1.00 0.00 H new ATOM 552 N CYS A 40 -2.073 6.587 -0.543 1.00 0.00 N ATOM 553 CA CYS A 40 -1.442 7.700 0.156 1.00 0.00 C ATOM 554 C CYS A 40 -2.160 7.995 1.469 1.00 0.00 C ATOM 555 O CYS A 40 -3.370 7.796 1.585 1.00 0.00 O ATOM 556 CB CYS A 40 -1.440 8.949 -0.728 1.00 0.00 C ATOM 557 SG CYS A 40 -0.533 10.361 -0.018 1.00 0.00 S ATOM 0 H CYS A 40 -2.517 6.841 -1.426 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.413 7.419 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.001 8.697 -1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.471 9.250 -0.915 1.00 0.00 H new ATOM 0 HG CYS A 40 0.568 9.939 0.529 1.00 0.00 H new ATOM 562 N ILE A 41 -1.407 8.469 2.455 1.00 0.00 N ATOM 563 CA ILE A 41 -1.971 8.793 3.760 1.00 0.00 C ATOM 564 C ILE A 41 -2.038 10.301 3.971 1.00 0.00 C ATOM 565 O ILE A 41 -2.826 10.791 4.781 1.00 0.00 O ATOM 566 CB ILE A 41 -1.151 8.162 4.900 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.308 8.618 4.821 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.240 6.644 4.841 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.137 8.199 6.015 1.00 0.00 C ATOM 0 H ILE A 41 -0.404 8.638 2.375 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.980 8.381 3.779 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.566 8.494 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.759 8.212 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.337 9.704 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.655 6.213 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.281 6.336 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.848 6.293 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.159 8.556 5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.711 8.627 6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.139 7.112 6.093 1.00 0.00 H new ATOM 581 N ASP A 42 -1.208 11.033 3.237 1.00 0.00 N ATOM 582 CA ASP A 42 -1.174 12.488 3.342 1.00 0.00 C ATOM 583 C ASP A 42 -2.455 13.102 2.786 1.00 0.00 C ATOM 584 O ASP A 42 -2.947 14.108 3.298 1.00 0.00 O ATOM 585 CB ASP A 42 0.039 13.046 2.597 1.00 0.00 C ATOM 586 CG ASP A 42 0.234 14.530 2.838 1.00 0.00 C ATOM 587 OD1 ASP A 42 -0.005 14.982 3.978 1.00 0.00 O ATOM 588 OD2 ASP A 42 0.627 15.239 1.888 1.00 0.00 O ATOM 0 H ASP A 42 -0.549 10.643 2.563 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.094 12.750 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.934 12.509 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.081 12.867 1.528 1.00 0.00 H new ATOM 593 N CYS A 43 -2.990 12.491 1.734 1.00 0.00 N ATOM 594 CA CYS A 43 -4.213 12.977 1.107 1.00 0.00 C ATOM 595 C CYS A 43 -5.248 11.862 0.994 1.00 0.00 C ATOM 596 O CYS A 43 -6.420 12.053 1.316 1.00 0.00 O ATOM 597 CB CYS A 43 -3.908 13.546 -0.280 1.00 0.00 C ATOM 598 SG CYS A 43 -3.480 12.285 -1.524 1.00 0.00 S ATOM 0 H CYS A 43 -2.595 11.658 1.298 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.624 13.767 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.775 14.106 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.083 14.254 -0.197 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.464 11.590 -1.106 1.00 0.00 H new ATOM 603 N GLY A 44 -4.805 10.695 0.535 1.00 0.00 N ATOM 604 CA GLY A 44 -5.705 9.566 0.388 1.00 0.00 C ATOM 605 C GLY A 44 -6.094 9.318 -1.056 1.00 0.00 C ATOM 606 O GLY A 44 -7.022 9.940 -1.573 1.00 0.00 O ATOM 0 H GLY A 44 -3.839 10.512 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.230 8.672 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.604 9.743 0.978 1.00 0.00 H new ATOM 610 N LYS A 45 -5.381 8.407 -1.710 1.00 0.00 N ATOM 611 CA LYS A 45 -5.655 8.078 -3.104 1.00 0.00 C ATOM 612 C LYS A 45 -4.933 6.798 -3.513 1.00 0.00 C ATOM 613 O LYS A 45 -3.733 6.650 -3.279 1.00 0.00 O ATOM 614 CB LYS A 45 -5.228 9.231 -4.015 1.00 0.00 C ATOM 615 CG LYS A 45 -6.055 9.341 -5.284 1.00 0.00 C ATOM 616 CD LYS A 45 -5.550 8.398 -6.363 1.00 0.00 C ATOM 617 CE LYS A 45 -6.606 8.157 -7.431 1.00 0.00 C ATOM 618 NZ LYS A 45 -7.775 7.406 -6.896 1.00 0.00 N ATOM 0 H LYS A 45 -4.609 7.883 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.728 7.918 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.301 10.167 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.180 9.101 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.098 9.114 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.023 10.367 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.654 8.816 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.263 7.448 -5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.942 9.113 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.165 7.601 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.278 6.943 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.446 6.686 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.419 8.064 -6.412 1.00 0.00 H new ATOM 632 N ASP A 46 -5.670 5.878 -4.125 1.00 0.00 N ATOM 633 CA ASP A 46 -5.098 4.612 -4.569 1.00 0.00 C ATOM 634 C ASP A 46 -4.354 4.785 -5.890 1.00 0.00 C ATOM 635 O ASP A 46 -4.822 5.480 -6.791 1.00 0.00 O ATOM 636 CB ASP A 46 -6.196 3.558 -4.722 1.00 0.00 C ATOM 637 CG ASP A 46 -6.902 3.264 -3.413 1.00 0.00 C ATOM 638 OD1 ASP A 46 -6.792 4.088 -2.482 1.00 0.00 O ATOM 639 OD2 ASP A 46 -7.564 2.208 -3.320 1.00 0.00 O ATOM 0 H ASP A 46 -6.664 5.985 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.387 4.278 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.925 3.901 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.761 2.638 -5.111 1.00 0.00 H new ATOM 644 N PHE A 47 -3.193 4.148 -5.996 1.00 0.00 N ATOM 645 CA PHE A 47 -2.383 4.233 -7.206 1.00 0.00 C ATOM 646 C PHE A 47 -1.950 2.845 -7.669 1.00 0.00 C ATOM 647 O PHE A 47 -1.038 2.245 -7.099 1.00 0.00 O ATOM 648 CB PHE A 47 -1.152 5.108 -6.961 1.00 0.00 C ATOM 649 CG PHE A 47 -1.486 6.539 -6.650 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.968 7.382 -7.638 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.318 7.040 -5.369 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.277 8.699 -7.355 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.626 8.356 -5.080 1.00 0.00 C ATOM 654 CZ PHE A 47 -2.105 9.187 -6.074 1.00 0.00 C ATOM 0 H PHE A 47 -2.792 3.568 -5.259 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.991 4.685 -7.989 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.577 4.690 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.512 5.076 -7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.104 7.006 -8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.942 6.395 -4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.652 9.346 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.492 8.734 -4.077 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.345 10.216 -5.850 1.00 0.00 H new ATOM 664 N TRP A 48 -2.611 2.340 -8.705 1.00 0.00 N ATOM 665 CA TRP A 48 -2.295 1.023 -9.244 1.00 0.00 C ATOM 666 C TRP A 48 -1.234 1.121 -10.335 1.00 0.00 C ATOM 667 O TRP A 48 -1.267 2.027 -11.167 1.00 0.00 O ATOM 668 CB TRP A 48 -3.557 0.361 -9.801 1.00 0.00 C ATOM 669 CG TRP A 48 -4.748 0.502 -8.902 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.451 1.645 -8.647 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.373 -0.535 -8.139 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.476 1.380 -7.771 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.450 0.050 -7.444 1.00 0.00 C ATOM 674 CE3 TRP A 48 -5.129 -1.902 -7.976 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -7.278 -0.686 -6.601 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -5.952 -2.630 -7.138 1.00 0.00 C ATOM 677 CH2 TRP A 48 -7.016 -2.021 -6.460 1.00 0.00 C ATOM 0 H TRP A 48 -3.369 2.823 -9.188 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.900 0.411 -8.433 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.790 0.798 -10.772 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.360 -0.698 -9.968 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.233 2.614 -9.071 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.148 2.063 -7.421 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.312 -2.380 -8.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.099 -0.219 -6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.772 -3.686 -7.003 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.642 -2.618 -5.813 1.00 0.00 H new ATOM 688 N GLY A 49 -0.292 0.182 -10.325 1.00 0.00 N ATOM 689 CA GLY A 49 0.765 0.182 -11.318 1.00 0.00 C ATOM 690 C GLY A 49 1.804 1.255 -11.060 1.00 0.00 C ATOM 691 O GLY A 49 2.026 1.651 -9.915 1.00 0.00 O ATOM 0 H GLY A 49 -0.243 -0.578 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.250 -0.794 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.331 0.332 -12.306 1.00 0.00 H new ATOM 695 N ASP A 50 2.444 1.726 -12.125 1.00 0.00 N ATOM 696 CA ASP A 50 3.466 2.760 -12.007 1.00 0.00 C ATOM 697 C ASP A 50 2.829 4.140 -11.870 1.00 0.00 C ATOM 698 O ASP A 50 3.254 5.097 -12.517 1.00 0.00 O ATOM 699 CB ASP A 50 4.392 2.731 -13.224 1.00 0.00 C ATOM 700 CG ASP A 50 3.637 2.871 -14.531 1.00 0.00 C ATOM 701 OD1 ASP A 50 2.706 2.073 -14.766 1.00 0.00 O ATOM 702 OD2 ASP A 50 3.978 3.778 -15.319 1.00 0.00 O ATOM 0 H ASP A 50 2.273 1.408 -13.079 1.00 0.00 H new ATOM 0 HA ASP A 50 4.051 2.559 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.121 3.537 -13.141 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.951 1.795 -13.229 1.00 0.00 H new ATOM 707 N ASP A 51 1.809 4.233 -11.024 1.00 0.00 N ATOM 708 CA ASP A 51 1.114 5.496 -10.801 1.00 0.00 C ATOM 709 C ASP A 51 1.719 6.248 -9.620 1.00 0.00 C ATOM 710 O ASP A 51 1.911 7.463 -9.678 1.00 0.00 O ATOM 711 CB ASP A 51 -0.374 5.246 -10.555 1.00 0.00 C ATOM 712 CG ASP A 51 -1.164 5.136 -11.844 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.736 4.378 -12.740 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.212 5.806 -11.957 1.00 0.00 O ATOM 0 H ASP A 51 1.445 3.450 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 51 1.229 6.109 -11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.495 4.329 -9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.781 6.057 -9.951 1.00 0.00 H new ATOM 719 N TYR A 52 2.017 5.519 -8.551 1.00 0.00 N ATOM 720 CA TYR A 52 2.597 6.118 -7.355 1.00 0.00 C ATOM 721 C TYR A 52 3.809 6.974 -7.707 1.00 0.00 C ATOM 722 O TYR A 52 3.944 8.105 -7.238 1.00 0.00 O ATOM 723 CB TYR A 52 2.999 5.030 -6.358 1.00 0.00 C ATOM 724 CG TYR A 52 3.997 4.039 -6.913 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.574 2.917 -7.615 1.00 0.00 C ATOM 726 CD2 TYR A 52 5.363 4.224 -6.735 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.482 2.008 -8.124 1.00 0.00 C ATOM 728 CE2 TYR A 52 6.278 3.321 -7.242 1.00 0.00 C ATOM 729 CZ TYR A 52 5.833 2.215 -7.935 1.00 0.00 C ATOM 730 OH TYR A 52 6.741 1.313 -8.440 1.00 0.00 O ATOM 0 H TYR A 52 1.867 4.512 -8.488 1.00 0.00 H new ATOM 0 HA TYR A 52 1.843 6.759 -6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.422 5.501 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.106 4.493 -6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.517 2.752 -7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.715 5.088 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.136 1.141 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.336 3.481 -7.096 1.00 0.00 H new ATOM 0 HH TYR A 52 7.650 1.606 -8.221 1.00 0.00 H new ATOM 740 N LYS A 53 4.691 6.427 -8.537 1.00 0.00 N ATOM 741 CA LYS A 53 5.892 7.138 -8.956 1.00 0.00 C ATOM 742 C LYS A 53 5.538 8.488 -9.572 1.00 0.00 C ATOM 743 O LYS A 53 6.384 9.377 -9.671 1.00 0.00 O ATOM 744 CB LYS A 53 6.683 6.298 -9.962 1.00 0.00 C ATOM 745 CG LYS A 53 5.865 5.859 -11.164 1.00 0.00 C ATOM 746 CD LYS A 53 6.737 5.676 -12.395 1.00 0.00 C ATOM 747 CE LYS A 53 7.612 4.437 -12.279 1.00 0.00 C ATOM 748 NZ LYS A 53 8.128 3.996 -13.604 1.00 0.00 N ATOM 0 H LYS A 53 4.596 5.492 -8.933 1.00 0.00 H new ATOM 0 HA LYS A 53 6.508 7.311 -8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.541 6.874 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.074 5.415 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.355 4.923 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.093 6.601 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.106 5.596 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.366 6.556 -12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.450 4.645 -11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.039 3.629 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.720 3.149 -13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.329 3.773 -14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.697 4.758 -14.026 1.00 0.00 H new ATOM 762 N SER A 54 4.283 8.634 -9.985 1.00 0.00 N ATOM 763 CA SER A 54 3.818 9.875 -10.593 1.00 0.00 C ATOM 764 C SER A 54 3.263 10.824 -9.536 1.00 0.00 C ATOM 765 O SER A 54 3.259 12.042 -9.719 1.00 0.00 O ATOM 766 CB SER A 54 2.746 9.582 -11.645 1.00 0.00 C ATOM 767 OG SER A 54 2.658 10.634 -12.590 1.00 0.00 O ATOM 0 H SER A 54 3.570 7.908 -9.910 1.00 0.00 H new ATOM 0 HA SER A 54 4.669 10.355 -11.076 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.980 8.648 -12.156 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.781 9.446 -11.157 1.00 0.00 H new ATOM 0 HG SER A 54 1.967 10.422 -13.252 1.00 0.00 H new ATOM 773 N HIS A 55 2.795 10.258 -8.429 1.00 0.00 N ATOM 774 CA HIS A 55 2.237 11.053 -7.340 1.00 0.00 C ATOM 775 C HIS A 55 3.346 11.622 -6.460 1.00 0.00 C ATOM 776 O HIS A 55 3.888 10.929 -5.600 1.00 0.00 O ATOM 777 CB HIS A 55 1.286 10.204 -6.496 1.00 0.00 C ATOM 778 CG HIS A 55 0.508 10.997 -5.491 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.426 11.949 -5.843 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.527 10.973 -4.138 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.945 12.478 -4.750 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.385 11.902 -3.701 1.00 0.00 N ATOM 0 H HIS A 55 2.791 9.252 -8.262 1.00 0.00 H new ATOM 0 HA HIS A 55 1.681 11.883 -7.776 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.590 9.687 -7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.861 9.438 -5.976 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.145 10.341 -3.517 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.699 13.250 -4.719 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.596 12.113 -2.726 1.00 0.00 H new ATOM 790 N VAL A 56 3.678 12.890 -6.682 1.00 0.00 N ATOM 791 CA VAL A 56 4.722 13.554 -5.910 1.00 0.00 C ATOM 792 C VAL A 56 4.125 14.553 -4.925 1.00 0.00 C ATOM 793 O VAL A 56 4.375 14.481 -3.722 1.00 0.00 O ATOM 794 CB VAL A 56 5.719 14.285 -6.827 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.933 14.748 -6.034 1.00 0.00 C ATOM 796 CG2 VAL A 56 6.137 13.389 -7.982 1.00 0.00 C ATOM 0 H VAL A 56 3.239 13.478 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 56 5.251 12.777 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 56 5.227 15.165 -7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.627 15.263 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.614 15.429 -5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.429 13.885 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.842 13.922 -8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.611 12.489 -7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.258 13.113 -8.565 1.00 0.00 H new ATOM 806 N LYS A 57 3.334 15.486 -5.444 1.00 0.00 N ATOM 807 CA LYS A 57 2.699 16.501 -4.612 1.00 0.00 C ATOM 808 C LYS A 57 1.196 16.261 -4.512 1.00 0.00 C ATOM 809 O LYS A 57 0.471 16.385 -5.499 1.00 0.00 O ATOM 810 CB LYS A 57 2.967 17.897 -5.180 1.00 0.00 C ATOM 811 CG LYS A 57 4.230 18.542 -4.639 1.00 0.00 C ATOM 812 CD LYS A 57 5.476 17.947 -5.272 1.00 0.00 C ATOM 813 CE LYS A 57 6.724 18.729 -4.890 1.00 0.00 C ATOM 814 NZ LYS A 57 7.160 18.432 -3.497 1.00 0.00 N ATOM 0 H LYS A 57 3.117 15.560 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 57 3.127 16.434 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.040 17.830 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.116 18.540 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.201 19.615 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.272 18.411 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.585 16.909 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.367 17.941 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.530 18.487 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.528 19.797 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.013 18.984 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.400 18.687 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.371 17.418 -3.408 1.00 0.00 H new ATOM 828 N CYS A 58 0.735 15.917 -3.314 1.00 0.00 N ATOM 829 CA CYS A 58 -0.681 15.660 -3.084 1.00 0.00 C ATOM 830 C CYS A 58 -1.542 16.740 -3.734 1.00 0.00 C ATOM 831 O CYS A 58 -2.541 16.440 -4.390 1.00 0.00 O ATOM 832 CB CYS A 58 -0.973 15.595 -1.584 1.00 0.00 C ATOM 833 SG CYS A 58 -0.290 14.123 -0.757 1.00 0.00 S ATOM 0 H CYS A 58 1.322 15.810 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.928 14.700 -3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.568 16.487 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.052 15.615 -1.434 1.00 0.00 H new ATOM 0 HG CYS A 58 0.324 14.482 0.331 1.00 0.00 H new