USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 325 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 195 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.4!) USER MOD Set 1.2: A 202 THR OG1 : rot -90:sc= 0.0277 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.7!) USER MOD Single : A 198 ASN :FLIP amide:sc= -1.16 F(o=-8!,f=-1.2) USER MOD Single : A 203 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.043) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN :FLIP amide:sc= -1.79! C(o=-6.6!,f=-1.8!) USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-14!) USER MOD Single : A 229 LYS NZ :NH3+ 145:sc= -0.0956 (180deg=-1.38!) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -172:sc= -0.827 (180deg=-0.958) USER MOD Single : A 233 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.8!) USER MOD Single : A 235 THR OG1 : rot 52:sc= 0.985 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 8.908 -8.521 13.927 1.00 0.00 N ATOM 19 CA CYS A 189 9.182 -7.700 12.713 1.00 0.00 C ATOM 20 C CYS A 189 10.495 -8.155 12.072 1.00 0.00 C ATOM 21 O CYS A 189 10.637 -8.163 10.866 1.00 0.00 O ATOM 22 CB CYS A 189 9.299 -6.229 13.114 1.00 0.00 C ATOM 23 SG CYS A 189 7.731 -5.662 13.820 1.00 0.00 S ATOM 0 HA CYS A 189 8.367 -7.824 11.999 1.00 0.00 H new ATOM 0 HB2 CYS A 189 10.102 -6.103 13.840 1.00 0.00 H new ATOM 0 HB3 CYS A 189 9.557 -5.625 12.244 1.00 0.00 H new ATOM 28 N ALA A 190 11.451 -8.540 12.872 1.00 0.00 N ATOM 29 CA ALA A 190 12.759 -9.006 12.327 1.00 0.00 C ATOM 30 C ALA A 190 13.186 -8.149 11.128 1.00 0.00 C ATOM 31 O ALA A 190 13.976 -7.235 11.258 1.00 0.00 O ATOM 32 CB ALA A 190 12.635 -10.465 11.888 1.00 0.00 C ATOM 0 H ALA A 190 11.382 -8.552 13.890 1.00 0.00 H new ATOM 0 HA ALA A 190 13.514 -8.913 13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 190 13.590 -10.807 11.489 1.00 0.00 H new ATOM 0 HB2 ALA A 190 12.358 -11.080 12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 190 11.869 -10.549 11.117 1.00 0.00 H new ATOM 38 N SER A 191 12.689 -8.448 9.958 1.00 0.00 N ATOM 39 CA SER A 191 13.094 -7.665 8.754 1.00 0.00 C ATOM 40 C SER A 191 12.372 -6.314 8.719 1.00 0.00 C ATOM 41 O SER A 191 12.530 -5.547 7.789 1.00 0.00 O ATOM 42 CB SER A 191 12.739 -8.455 7.494 1.00 0.00 C ATOM 43 OG SER A 191 11.391 -8.184 7.133 1.00 0.00 O ATOM 0 H SER A 191 12.021 -9.199 9.784 1.00 0.00 H new ATOM 0 HA SER A 191 14.169 -7.489 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 191 13.408 -8.181 6.678 1.00 0.00 H new ATOM 0 HB3 SER A 191 12.873 -9.522 7.670 1.00 0.00 H new ATOM 0 HG SER A 191 11.161 -8.688 6.324 1.00 0.00 H new ATOM 49 N CYS A 192 11.585 -6.011 9.714 1.00 0.00 N ATOM 50 CA CYS A 192 10.861 -4.706 9.714 1.00 0.00 C ATOM 51 C CYS A 192 11.249 -3.903 10.963 1.00 0.00 C ATOM 52 O CYS A 192 10.482 -3.785 11.896 1.00 0.00 O ATOM 53 CB CYS A 192 9.351 -4.965 9.723 1.00 0.00 C ATOM 54 SG CYS A 192 8.702 -4.848 8.039 1.00 0.00 S ATOM 0 H CYS A 192 11.411 -6.606 10.524 1.00 0.00 H new ATOM 0 HA CYS A 192 11.130 -4.140 8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 192 9.144 -5.953 10.135 1.00 0.00 H new ATOM 0 HB3 CYS A 192 8.852 -4.240 10.366 1.00 0.00 H new ATOM 59 N PRO A 193 12.436 -3.354 10.978 1.00 0.00 N ATOM 60 CA PRO A 193 12.938 -2.552 12.130 1.00 0.00 C ATOM 61 C PRO A 193 12.328 -1.147 12.175 1.00 0.00 C ATOM 62 O PRO A 193 11.565 -0.819 13.061 1.00 0.00 O ATOM 63 CB PRO A 193 14.442 -2.465 11.877 1.00 0.00 C ATOM 64 CG PRO A 193 14.598 -2.588 10.397 1.00 0.00 C ATOM 65 CD PRO A 193 13.432 -3.443 9.899 1.00 0.00 C ATOM 0 HA PRO A 193 12.676 -3.009 13.084 1.00 0.00 H new ATOM 0 HB2 PRO A 193 14.848 -1.520 12.239 1.00 0.00 H new ATOM 0 HB3 PRO A 193 14.975 -3.261 12.397 1.00 0.00 H new ATOM 0 HG2 PRO A 193 14.587 -1.606 9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 193 15.552 -3.052 10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 193 13.034 -3.065 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 193 13.740 -4.474 9.724 1.00 0.00 H new ATOM 73 N ASN A 194 12.660 -0.316 11.227 1.00 0.00 N ATOM 74 CA ASN A 194 12.102 1.065 11.219 1.00 0.00 C ATOM 75 C ASN A 194 10.737 1.057 10.530 1.00 0.00 C ATOM 76 O ASN A 194 10.131 2.088 10.318 1.00 0.00 O ATOM 77 CB ASN A 194 13.054 1.994 10.469 1.00 0.00 C ATOM 78 CG ASN A 194 14.386 2.065 11.219 1.00 0.00 C ATOM 79 OD1 ASN A 194 14.476 1.653 12.358 1.00 0.00 O ATOM 80 ND2 ASN A 194 15.431 2.573 10.625 1.00 0.00 N ATOM 0 H ASN A 194 13.293 -0.533 10.458 1.00 0.00 H new ATOM 0 HA ASN A 194 11.987 1.419 12.243 1.00 0.00 H new ATOM 0 HB2 ASN A 194 13.214 1.628 9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 194 12.618 2.989 10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 194 16.323 2.624 11.117 1.00 0.00 H new ATOM 0 HD22 ASN A 194 15.356 2.919 9.668 1.00 0.00 H new ATOM 87 N ASN A 195 10.246 -0.103 10.181 1.00 0.00 N ATOM 88 CA ASN A 195 8.916 -0.181 9.510 1.00 0.00 C ATOM 89 C ASN A 195 7.882 -0.718 10.501 1.00 0.00 C ATOM 90 O ASN A 195 7.604 -0.107 11.512 1.00 0.00 O ATOM 91 CB ASN A 195 9.003 -1.118 8.304 1.00 0.00 C ATOM 92 CG ASN A 195 7.757 -0.949 7.435 1.00 0.00 C ATOM 93 OD1 ASN A 195 7.074 0.054 7.519 1.00 0.00 O ATOM 94 ND2 ASN A 195 7.429 -1.894 6.598 1.00 0.00 N ATOM 0 H ASN A 195 10.709 -0.999 10.332 1.00 0.00 H new ATOM 0 HA ASN A 195 8.619 0.812 9.173 1.00 0.00 H new ATOM 0 HB2 ASN A 195 9.898 -0.897 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 195 9.088 -2.152 8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 195 6.599 -1.792 6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.002 -2.735 6.528 1.00 0.00 H new ATOM 101 N CYS A 196 7.313 -1.860 10.221 1.00 0.00 N ATOM 102 CA CYS A 196 6.302 -2.437 11.149 1.00 0.00 C ATOM 103 C CYS A 196 5.408 -1.318 11.692 1.00 0.00 C ATOM 104 O CYS A 196 5.640 -0.793 12.763 1.00 0.00 O ATOM 105 CB CYS A 196 7.021 -3.130 12.313 1.00 0.00 C ATOM 106 SG CYS A 196 6.716 -4.914 12.240 1.00 0.00 S ATOM 0 H CYS A 196 7.506 -2.417 9.389 1.00 0.00 H new ATOM 0 HA CYS A 196 5.688 -3.162 10.615 1.00 0.00 H new ATOM 0 HB2 CYS A 196 8.092 -2.932 12.262 1.00 0.00 H new ATOM 0 HB3 CYS A 196 6.667 -2.729 13.263 1.00 0.00 H new ATOM 111 N GLU A 197 4.385 -0.945 10.970 1.00 0.00 N ATOM 112 CA GLU A 197 3.494 0.140 11.471 1.00 0.00 C ATOM 113 C GLU A 197 2.889 -0.293 12.806 1.00 0.00 C ATOM 114 O GLU A 197 2.795 0.477 13.741 1.00 0.00 O ATOM 115 CB GLU A 197 2.368 0.393 10.462 1.00 0.00 C ATOM 116 CG GLU A 197 1.581 1.637 10.884 1.00 0.00 C ATOM 117 CD GLU A 197 0.419 1.872 9.915 1.00 0.00 C ATOM 118 OE1 GLU A 197 0.209 1.033 9.055 1.00 0.00 O ATOM 119 OE2 GLU A 197 -0.240 2.889 10.049 1.00 0.00 O ATOM 0 H GLU A 197 4.130 -1.340 10.065 1.00 0.00 H new ATOM 0 HA GLU A 197 4.071 1.056 11.602 1.00 0.00 H new ATOM 0 HB2 GLU A 197 2.783 0.532 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 197 1.706 -0.472 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 197 1.201 1.511 11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 197 2.238 2.507 10.896 1.00 0.00 H new ATOM 127 N ASN A 198 2.492 -1.531 12.900 1.00 0.00 N ATOM 128 CA ASN A 198 1.904 -2.044 14.169 1.00 0.00 C ATOM 129 C ASN A 198 2.196 -3.538 14.262 1.00 0.00 C ATOM 130 O ASN A 198 1.363 -4.323 14.672 1.00 0.00 O ATOM 131 CB ASN A 198 0.391 -1.812 14.171 1.00 0.00 C ATOM 132 CG ASN A 198 -0.264 -2.702 13.113 1.00 0.00 C ATOM 133 OD1 ASN A 198 0.469 -3.210 12.161 1.00 0.00 O flip ATOM 134 ND2 ASN A 198 -1.456 -2.935 13.151 1.00 0.00 N flip ATOM 0 H ASN A 198 2.550 -2.215 12.146 1.00 0.00 H new ATOM 0 HA ASN A 198 2.338 -1.522 15.021 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -0.021 -2.036 15.155 1.00 0.00 H new ATOM 0 HB3 ASN A 198 0.173 -0.764 13.965 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -2.030 -2.538 13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -1.883 -3.527 12.439 1.00 0.00 H new ATOM 141 N GLY A 199 3.371 -3.937 13.859 1.00 0.00 N ATOM 142 CA GLY A 199 3.732 -5.382 13.891 1.00 0.00 C ATOM 143 C GLY A 199 3.573 -5.950 12.483 1.00 0.00 C ATOM 144 O GLY A 199 4.005 -7.047 12.185 1.00 0.00 O ATOM 0 H GLY A 199 4.102 -3.319 13.506 1.00 0.00 H new ATOM 0 HA2 GLY A 199 4.758 -5.509 14.238 1.00 0.00 H new ATOM 0 HA3 GLY A 199 3.090 -5.918 14.591 1.00 0.00 H new ATOM 148 N LEU A 200 2.961 -5.196 11.612 1.00 0.00 N ATOM 149 CA LEU A 200 2.767 -5.660 10.213 1.00 0.00 C ATOM 150 C LEU A 200 3.672 -4.849 9.288 1.00 0.00 C ATOM 151 O LEU A 200 3.870 -3.666 9.482 1.00 0.00 O ATOM 152 CB LEU A 200 1.310 -5.436 9.807 1.00 0.00 C ATOM 153 CG LEU A 200 0.383 -6.145 10.794 1.00 0.00 C ATOM 154 CD1 LEU A 200 -1.065 -5.999 10.326 1.00 0.00 C ATOM 155 CD2 LEU A 200 0.751 -7.626 10.857 1.00 0.00 C ATOM 0 H LEU A 200 2.584 -4.270 11.814 1.00 0.00 H new ATOM 0 HA LEU A 200 3.013 -6.719 10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 200 1.088 -4.369 9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 200 1.141 -5.815 8.799 1.00 0.00 H new ATOM 0 HG LEU A 200 0.491 -5.699 11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -1.727 -6.504 11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -1.327 -4.942 10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -1.175 -6.447 9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 200 0.092 -8.135 11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 200 0.640 -8.071 9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 200 1.784 -7.730 11.188 1.00 0.00 H new ATOM 167 N CYS A 201 4.219 -5.464 8.277 1.00 0.00 N ATOM 168 CA CYS A 201 5.101 -4.708 7.345 1.00 0.00 C ATOM 169 C CYS A 201 4.246 -4.066 6.254 1.00 0.00 C ATOM 170 O CYS A 201 3.396 -4.700 5.662 1.00 0.00 O ATOM 171 CB CYS A 201 6.114 -5.659 6.702 1.00 0.00 C ATOM 172 SG CYS A 201 7.262 -6.267 7.964 1.00 0.00 S ATOM 0 H CYS A 201 4.095 -6.452 8.056 1.00 0.00 H new ATOM 0 HA CYS A 201 5.635 -3.936 7.899 1.00 0.00 H new ATOM 0 HB2 CYS A 201 5.596 -6.496 6.234 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.663 -5.143 5.914 1.00 0.00 H new ATOM 177 N THR A 202 4.466 -2.811 5.977 1.00 0.00 N ATOM 178 CA THR A 202 3.669 -2.133 4.918 1.00 0.00 C ATOM 179 C THR A 202 4.297 -2.440 3.558 1.00 0.00 C ATOM 180 O THR A 202 3.758 -2.108 2.522 1.00 0.00 O ATOM 181 CB THR A 202 3.676 -0.622 5.160 1.00 0.00 C ATOM 182 OG1 THR A 202 4.999 -0.125 5.020 1.00 0.00 O ATOM 183 CG2 THR A 202 3.169 -0.329 6.571 1.00 0.00 C ATOM 0 H THR A 202 5.163 -2.226 6.438 1.00 0.00 H new ATOM 0 HA THR A 202 2.640 -2.492 4.940 1.00 0.00 H new ATOM 0 HB THR A 202 3.027 -0.136 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 202 5.453 -0.155 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 202 3.174 0.747 6.743 1.00 0.00 H new ATOM 0 HG22 THR A 202 2.153 -0.709 6.679 1.00 0.00 H new ATOM 0 HG23 THR A 202 3.818 -0.816 7.299 1.00 0.00 H new ATOM 191 N ASN A 203 5.434 -3.084 3.562 1.00 0.00 N ATOM 192 CA ASN A 203 6.111 -3.431 2.281 1.00 0.00 C ATOM 193 C ASN A 203 5.687 -4.835 1.850 1.00 0.00 C ATOM 194 O ASN A 203 6.328 -5.469 1.035 1.00 0.00 O ATOM 195 CB ASN A 203 7.629 -3.388 2.475 1.00 0.00 C ATOM 196 CG ASN A 203 8.046 -1.982 2.913 1.00 0.00 C ATOM 197 OD1 ASN A 203 8.770 -1.823 3.874 1.00 0.00 O ATOM 198 ND2 ASN A 203 7.612 -0.950 2.243 1.00 0.00 N ATOM 0 H ASN A 203 5.925 -3.386 4.404 1.00 0.00 H new ATOM 0 HA ASN A 203 5.827 -2.713 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 203 7.932 -4.119 3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 203 8.133 -3.656 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 203 7.881 -0.008 2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 203 7.004 -1.085 1.436 1.00 0.00 H new ATOM 239 N PHE A 207 2.066 -3.283 -4.597 1.00 0.00 N ATOM 240 CA PHE A 207 1.772 -1.974 -5.238 1.00 0.00 C ATOM 241 C PHE A 207 2.468 -0.850 -4.480 1.00 0.00 C ATOM 242 O PHE A 207 2.891 -1.011 -3.352 1.00 0.00 O ATOM 243 CB PHE A 207 0.268 -1.728 -5.207 1.00 0.00 C ATOM 244 CG PHE A 207 -0.387 -2.440 -6.353 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.138 -2.024 -7.662 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.241 -3.516 -6.105 1.00 0.00 C ATOM 247 CE1 PHE A 207 -0.747 -2.687 -8.732 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.851 -4.181 -7.170 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.604 -3.768 -8.486 1.00 0.00 C ATOM 0 HA PHE A 207 2.132 -1.994 -6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 207 -0.148 -2.080 -4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.064 -0.659 -5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.524 -1.191 -7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.430 -3.834 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.557 -2.367 -9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.513 -5.013 -6.980 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.074 -4.283 -9.311 1.00 0.00 H new ATOM 259 N GLU A 208 2.570 0.296 -5.089 1.00 0.00 N ATOM 260 CA GLU A 208 3.214 1.446 -4.407 1.00 0.00 C ATOM 261 C GLU A 208 2.333 2.681 -4.585 1.00 0.00 C ATOM 262 O GLU A 208 1.777 2.910 -5.640 1.00 0.00 O ATOM 263 CB GLU A 208 4.595 1.702 -5.003 1.00 0.00 C ATOM 264 CG GLU A 208 5.274 2.829 -4.228 1.00 0.00 C ATOM 265 CD GLU A 208 6.637 3.130 -4.851 1.00 0.00 C ATOM 266 OE1 GLU A 208 6.974 2.485 -5.830 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.318 4.000 -4.338 1.00 0.00 O ATOM 0 H GLU A 208 2.233 0.485 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 208 3.330 1.225 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 208 5.199 0.796 -4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.506 1.970 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.650 3.723 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.395 2.544 -3.183 1.00 0.00 H new ATOM 275 N ASP A 209 2.196 3.474 -3.560 1.00 0.00 N ATOM 276 CA ASP A 209 1.342 4.687 -3.673 1.00 0.00 C ATOM 277 C ASP A 209 2.095 5.780 -4.427 1.00 0.00 C ATOM 278 O ASP A 209 3.081 6.310 -3.955 1.00 0.00 O ATOM 279 CB ASP A 209 0.989 5.186 -2.273 1.00 0.00 C ATOM 280 CG ASP A 209 0.122 4.141 -1.568 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.014 4.232 -0.361 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.387 3.269 -2.251 1.00 0.00 O ATOM 0 H ASP A 209 2.637 3.335 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 209 0.430 4.439 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.898 5.368 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.456 6.135 -2.336 1.00 0.00 H new ATOM 288 N LEU A 210 1.627 6.131 -5.592 1.00 0.00 N ATOM 289 CA LEU A 210 2.300 7.201 -6.376 1.00 0.00 C ATOM 290 C LEU A 210 2.169 8.528 -5.625 1.00 0.00 C ATOM 291 O LEU A 210 2.997 9.409 -5.746 1.00 0.00 O ATOM 292 CB LEU A 210 1.653 7.297 -7.759 1.00 0.00 C ATOM 293 CG LEU A 210 2.191 6.167 -8.636 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.932 4.821 -7.955 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.487 6.194 -9.993 1.00 0.00 C ATOM 0 H LEU A 210 0.805 5.721 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 210 3.358 6.969 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.569 7.225 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.873 8.264 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 210 3.263 6.301 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.316 4.016 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.435 4.800 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 210 0.860 4.687 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 210 1.871 5.388 -10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.415 6.062 -9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.673 7.151 -10.480 1.00 0.00 H new ATOM 307 N LEU A 211 1.135 8.670 -4.838 1.00 0.00 N ATOM 308 CA LEU A 211 0.948 9.929 -4.062 1.00 0.00 C ATOM 309 C LEU A 211 1.124 9.632 -2.570 1.00 0.00 C ATOM 310 O LEU A 211 0.731 8.590 -2.086 1.00 0.00 O ATOM 311 CB LEU A 211 -0.455 10.485 -4.308 1.00 0.00 C ATOM 312 CG LEU A 211 -0.661 10.707 -5.807 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.009 11.387 -6.043 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.456 11.600 -6.350 1.00 0.00 C ATOM 0 H LEU A 211 0.410 7.966 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 211 1.686 10.665 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.204 9.792 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.585 11.424 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.642 9.745 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.155 11.545 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.808 10.754 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.027 12.348 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.309 11.758 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.437 12.561 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.420 11.119 -6.184 1.00 0.00 H new ATOM 326 N SER A 212 1.710 10.538 -1.838 1.00 0.00 N ATOM 327 CA SER A 212 1.909 10.301 -0.378 1.00 0.00 C ATOM 328 C SER A 212 0.629 10.647 0.379 1.00 0.00 C ATOM 329 O SER A 212 0.574 10.571 1.591 1.00 0.00 O ATOM 330 CB SER A 212 3.053 11.180 0.129 1.00 0.00 C ATOM 331 OG SER A 212 2.586 12.517 0.278 1.00 0.00 O ATOM 0 H SER A 212 2.060 11.431 -2.185 1.00 0.00 H new ATOM 0 HA SER A 212 2.153 9.252 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.422 10.803 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.888 11.150 -0.571 1.00 0.00 H new ATOM 0 HG SER A 212 3.316 13.084 0.605 1.00 0.00 H new ATOM 337 N ASN A 213 -0.401 11.031 -0.325 1.00 0.00 N ATOM 338 CA ASN A 213 -1.675 11.383 0.353 1.00 0.00 C ATOM 339 C ASN A 213 -2.753 10.369 -0.033 1.00 0.00 C ATOM 340 O ASN A 213 -3.931 10.661 -0.018 1.00 0.00 O ATOM 341 CB ASN A 213 -2.104 12.792 -0.074 1.00 0.00 C ATOM 342 CG ASN A 213 -2.666 12.761 -1.499 1.00 0.00 C ATOM 343 OD1 ASN A 213 -2.545 11.678 -2.216 1.00 0.00 O flip ATOM 344 ND2 ASN A 213 -3.222 13.736 -1.964 1.00 0.00 N flip ATOM 0 H ASN A 213 -0.412 11.115 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.536 11.362 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.857 13.176 0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -1.252 13.471 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -3.318 14.584 -1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -3.593 13.707 -2.914 1.00 0.00 H new ATOM 351 N CYS A 214 -2.358 9.175 -0.382 1.00 0.00 N ATOM 352 CA CYS A 214 -3.361 8.147 -0.768 1.00 0.00 C ATOM 353 C CYS A 214 -4.316 7.898 0.396 1.00 0.00 C ATOM 354 O CYS A 214 -5.518 7.841 0.218 1.00 0.00 O ATOM 355 CB CYS A 214 -2.646 6.848 -1.138 1.00 0.00 C ATOM 356 SG CYS A 214 -1.998 6.999 -2.817 1.00 0.00 S ATOM 0 H CYS A 214 -1.386 8.869 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.930 8.502 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.835 6.650 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.335 6.006 -1.074 1.00 0.00 H new ATOM 361 N GLU A 215 -3.807 7.764 1.589 1.00 0.00 N ATOM 362 CA GLU A 215 -4.718 7.540 2.741 1.00 0.00 C ATOM 363 C GLU A 215 -5.659 8.739 2.831 1.00 0.00 C ATOM 364 O GLU A 215 -6.831 8.606 3.122 1.00 0.00 O ATOM 365 CB GLU A 215 -3.912 7.422 4.036 1.00 0.00 C ATOM 366 CG GLU A 215 -4.840 6.966 5.166 1.00 0.00 C ATOM 367 CD GLU A 215 -4.077 6.973 6.492 1.00 0.00 C ATOM 368 OE1 GLU A 215 -2.903 7.303 6.476 1.00 0.00 O ATOM 369 OE2 GLU A 215 -4.681 6.648 7.502 1.00 0.00 O ATOM 0 H GLU A 215 -2.812 7.799 1.813 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.281 6.617 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -3.097 6.709 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.459 8.382 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.705 7.627 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -5.218 5.965 4.958 1.00 0.00 H new ATOM 377 N SER A 216 -5.153 9.913 2.561 1.00 0.00 N ATOM 378 CA SER A 216 -6.015 11.124 2.607 1.00 0.00 C ATOM 379 C SER A 216 -7.119 10.984 1.560 1.00 0.00 C ATOM 380 O SER A 216 -8.279 11.236 1.821 1.00 0.00 O ATOM 381 CB SER A 216 -5.171 12.360 2.291 1.00 0.00 C ATOM 382 OG SER A 216 -4.159 12.505 3.280 1.00 0.00 O ATOM 0 H SER A 216 -4.179 10.083 2.311 1.00 0.00 H new ATOM 0 HA SER A 216 -6.454 11.229 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.719 12.263 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.802 13.249 2.267 1.00 0.00 H new ATOM 0 HG SER A 216 -3.616 13.295 3.079 1.00 0.00 H new ATOM 388 N LEU A 217 -6.762 10.565 0.375 1.00 0.00 N ATOM 389 CA LEU A 217 -7.781 10.382 -0.696 1.00 0.00 C ATOM 390 C LEU A 217 -8.704 9.239 -0.301 1.00 0.00 C ATOM 391 O LEU A 217 -9.877 9.230 -0.608 1.00 0.00 O ATOM 392 CB LEU A 217 -7.076 10.044 -2.009 1.00 0.00 C ATOM 393 CG LEU A 217 -6.136 11.191 -2.375 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.395 10.858 -3.669 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.955 12.467 -2.569 1.00 0.00 C ATOM 0 H LEU A 217 -5.805 10.341 0.103 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.361 11.296 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.515 9.115 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.808 9.889 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.410 11.337 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.726 11.679 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.814 9.946 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -6.116 10.712 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -6.290 13.290 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.679 12.317 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.481 12.706 -1.645 1.00 0.00 H new ATOM 407 N LYS A 218 -8.169 8.273 0.382 1.00 0.00 N ATOM 408 CA LYS A 218 -8.988 7.113 0.813 1.00 0.00 C ATOM 409 C LYS A 218 -10.170 7.599 1.649 1.00 0.00 C ATOM 410 O LYS A 218 -11.304 7.224 1.428 1.00 0.00 O ATOM 411 CB LYS A 218 -8.114 6.213 1.672 1.00 0.00 C ATOM 412 CG LYS A 218 -8.825 4.885 1.900 1.00 0.00 C ATOM 413 CD LYS A 218 -7.802 3.851 2.345 1.00 0.00 C ATOM 414 CE LYS A 218 -8.397 2.457 2.200 1.00 0.00 C ATOM 415 NZ LYS A 218 -8.551 1.848 3.548 1.00 0.00 N ATOM 0 H LYS A 218 -7.189 8.237 0.663 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.362 6.575 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.155 6.045 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -7.905 6.695 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.601 4.998 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.318 4.559 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -6.897 3.937 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -7.515 4.030 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -9.364 2.512 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -7.752 1.836 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -8.957 0.895 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -7.621 1.784 4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -9.183 2.438 4.126 1.00 0.00 H new ATOM 429 N THR A 219 -9.901 8.433 2.609 1.00 0.00 N ATOM 430 CA THR A 219 -10.986 8.958 3.478 1.00 0.00 C ATOM 431 C THR A 219 -11.932 9.847 2.661 1.00 0.00 C ATOM 432 O THR A 219 -13.108 9.946 2.953 1.00 0.00 O ATOM 433 CB THR A 219 -10.360 9.764 4.618 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.435 8.944 5.318 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.451 10.233 5.578 1.00 0.00 C ATOM 0 H THR A 219 -8.967 8.777 2.831 1.00 0.00 H new ATOM 0 HA THR A 219 -11.562 8.128 3.888 1.00 0.00 H new ATOM 0 HB THR A 219 -9.845 10.633 4.208 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.030 9.457 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.001 10.807 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.163 10.860 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 219 -11.969 9.367 5.991 1.00 0.00 H new ATOM 443 N SER A 220 -11.436 10.509 1.650 1.00 0.00 N ATOM 444 CA SER A 220 -12.322 11.397 0.841 1.00 0.00 C ATOM 445 C SER A 220 -12.836 10.659 -0.400 1.00 0.00 C ATOM 446 O SER A 220 -14.009 10.708 -0.716 1.00 0.00 O ATOM 447 CB SER A 220 -11.540 12.636 0.404 1.00 0.00 C ATOM 448 OG SER A 220 -11.306 13.464 1.537 1.00 0.00 O ATOM 0 H SER A 220 -10.462 10.474 1.350 1.00 0.00 H new ATOM 0 HA SER A 220 -13.174 11.692 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.593 12.342 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 220 -12.099 13.185 -0.354 1.00 0.00 H new ATOM 0 HG SER A 220 -10.803 14.259 1.263 1.00 0.00 H new ATOM 454 N ALA A 221 -11.975 9.982 -1.107 1.00 0.00 N ATOM 455 CA ALA A 221 -12.426 9.251 -2.326 1.00 0.00 C ATOM 456 C ALA A 221 -12.758 7.804 -1.958 1.00 0.00 C ATOM 457 O ALA A 221 -13.909 7.421 -1.889 1.00 0.00 O ATOM 458 CB ALA A 221 -11.314 9.272 -3.380 1.00 0.00 C ATOM 0 H ALA A 221 -10.980 9.903 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.314 9.735 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.646 8.737 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.081 10.304 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.423 8.790 -2.978 1.00 0.00 H new ATOM 464 N GLY A 222 -11.761 6.997 -1.715 1.00 0.00 N ATOM 465 CA GLY A 222 -12.028 5.576 -1.349 1.00 0.00 C ATOM 466 C GLY A 222 -11.126 4.655 -2.175 1.00 0.00 C ATOM 467 O GLY A 222 -10.922 4.862 -3.354 1.00 0.00 O ATOM 0 H GLY A 222 -10.776 7.259 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.845 5.423 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.075 5.334 -1.530 1.00 0.00 H new ATOM 471 N CYS A 223 -10.590 3.633 -1.562 1.00 0.00 N ATOM 472 CA CYS A 223 -9.709 2.688 -2.309 1.00 0.00 C ATOM 473 C CYS A 223 -10.526 2.013 -3.411 1.00 0.00 C ATOM 474 O CYS A 223 -9.996 1.563 -4.407 1.00 0.00 O ATOM 475 CB CYS A 223 -9.161 1.636 -1.336 1.00 0.00 C ATOM 476 SG CYS A 223 -9.586 -0.031 -1.908 1.00 0.00 S ATOM 0 H CYS A 223 -10.724 3.412 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 223 -8.874 3.225 -2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -8.079 1.735 -1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.572 1.802 -0.340 1.00 0.00 H new ATOM 481 N LYS A 224 -11.818 1.955 -3.246 1.00 0.00 N ATOM 482 CA LYS A 224 -12.674 1.324 -4.287 1.00 0.00 C ATOM 483 C LYS A 224 -12.873 2.324 -5.428 1.00 0.00 C ATOM 484 O LYS A 224 -13.573 2.062 -6.388 1.00 0.00 O ATOM 485 CB LYS A 224 -14.025 0.954 -3.675 1.00 0.00 C ATOM 486 CG LYS A 224 -13.798 -0.030 -2.527 1.00 0.00 C ATOM 487 CD LYS A 224 -15.136 -0.392 -1.880 1.00 0.00 C ATOM 488 CE LYS A 224 -15.927 -1.310 -2.814 1.00 0.00 C ATOM 489 NZ LYS A 224 -17.202 -0.643 -3.200 1.00 0.00 N ATOM 0 H LYS A 224 -12.318 2.318 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 224 -12.200 0.420 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.531 1.848 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.671 0.508 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -13.309 -0.930 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -13.133 0.411 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -14.967 -0.888 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -15.708 0.513 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -15.339 -1.537 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -16.135 -2.259 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -17.741 -1.266 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -17.764 -0.448 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -16.992 0.251 -3.688 1.00 0.00 H new ATOM 503 N HIS A 225 -12.253 3.471 -5.325 1.00 0.00 N ATOM 504 CA HIS A 225 -12.387 4.503 -6.391 1.00 0.00 C ATOM 505 C HIS A 225 -11.375 4.216 -7.503 1.00 0.00 C ATOM 506 O HIS A 225 -10.261 3.797 -7.251 1.00 0.00 O ATOM 507 CB HIS A 225 -12.114 5.883 -5.790 1.00 0.00 C ATOM 508 CG HIS A 225 -12.523 6.950 -6.767 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.153 6.913 -8.103 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.272 8.090 -6.616 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.677 8.000 -8.700 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.365 8.748 -7.837 1.00 0.00 N ATOM 0 H HIS A 225 -11.656 3.737 -4.542 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.395 4.479 -6.805 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.665 6.000 -4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.056 5.983 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.720 8.424 -5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.555 8.236 -9.747 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.857 9.620 -8.032 1.00 0.00 H new ATOM 521 N GLU A 226 -11.760 4.425 -8.732 1.00 0.00 N ATOM 522 CA GLU A 226 -10.834 4.154 -9.870 1.00 0.00 C ATOM 523 C GLU A 226 -9.574 5.021 -9.761 1.00 0.00 C ATOM 524 O GLU A 226 -8.490 4.594 -10.108 1.00 0.00 O ATOM 525 CB GLU A 226 -11.552 4.466 -11.187 1.00 0.00 C ATOM 526 CG GLU A 226 -10.650 4.095 -12.365 1.00 0.00 C ATOM 527 CD GLU A 226 -11.323 4.518 -13.671 1.00 0.00 C ATOM 528 OE1 GLU A 226 -10.805 4.174 -14.722 1.00 0.00 O ATOM 529 OE2 GLU A 226 -12.343 5.183 -13.599 1.00 0.00 O ATOM 0 H GLU A 226 -12.681 4.774 -8.999 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.539 3.105 -9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.488 3.910 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.808 5.525 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -9.682 4.587 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -10.463 3.021 -12.370 1.00 0.00 H new ATOM 537 N LEU A 227 -9.702 6.235 -9.298 1.00 0.00 N ATOM 538 CA LEU A 227 -8.504 7.118 -9.187 1.00 0.00 C ATOM 539 C LEU A 227 -7.444 6.453 -8.308 1.00 0.00 C ATOM 540 O LEU A 227 -6.293 6.347 -8.680 1.00 0.00 O ATOM 541 CB LEU A 227 -8.916 8.455 -8.570 1.00 0.00 C ATOM 542 CG LEU A 227 -9.115 9.498 -9.676 1.00 0.00 C ATOM 543 CD1 LEU A 227 -10.169 9.007 -10.672 1.00 0.00 C ATOM 544 CD2 LEU A 227 -9.582 10.816 -9.053 1.00 0.00 C ATOM 0 H LEU A 227 -10.581 6.653 -8.993 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.088 7.285 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.838 8.335 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.152 8.794 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 227 -8.171 9.651 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.305 9.753 -11.455 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -9.839 8.069 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -11.114 8.849 -10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -9.724 11.559 -9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -10.524 10.657 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.830 11.172 -8.348 1.00 0.00 H new ATOM 556 N LEU A 228 -7.825 5.990 -7.153 1.00 0.00 N ATOM 557 CA LEU A 228 -6.846 5.320 -6.257 1.00 0.00 C ATOM 558 C LEU A 228 -6.363 4.034 -6.917 1.00 0.00 C ATOM 559 O LEU A 228 -5.353 3.471 -6.550 1.00 0.00 O ATOM 560 CB LEU A 228 -7.507 4.999 -4.912 1.00 0.00 C ATOM 561 CG LEU A 228 -7.502 6.250 -4.026 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.646 7.179 -4.434 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.681 5.846 -2.561 1.00 0.00 C ATOM 0 H LEU A 228 -8.776 6.047 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 228 -5.997 5.982 -6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.530 4.657 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -6.973 4.188 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.551 6.768 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.638 8.066 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.520 7.475 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.597 6.659 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.677 6.738 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.630 5.323 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.864 5.189 -2.262 1.00 0.00 H new ATOM 575 N LYS A 229 -7.102 3.559 -7.872 1.00 0.00 N ATOM 576 CA LYS A 229 -6.735 2.295 -8.556 1.00 0.00 C ATOM 577 C LYS A 229 -5.533 2.497 -9.494 1.00 0.00 C ATOM 578 O LYS A 229 -5.051 1.550 -10.082 1.00 0.00 O ATOM 579 CB LYS A 229 -7.936 1.811 -9.360 1.00 0.00 C ATOM 580 CG LYS A 229 -7.865 0.295 -9.527 1.00 0.00 C ATOM 581 CD LYS A 229 -8.073 -0.376 -8.165 1.00 0.00 C ATOM 582 CE LYS A 229 -9.126 -1.482 -8.288 1.00 0.00 C ATOM 583 NZ LYS A 229 -8.808 -2.338 -9.464 1.00 0.00 N ATOM 0 H LYS A 229 -7.957 3.999 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.453 1.556 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.861 2.088 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.951 2.294 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.627 -0.041 -10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.899 0.008 -9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.132 -0.795 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.392 0.363 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.144 -2.085 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.118 -1.044 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.067 -3.324 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -9.345 -2.006 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -7.790 -2.283 -9.668 1.00 0.00 H new ATOM 597 N THR A 230 -5.050 3.706 -9.668 1.00 0.00 N ATOM 598 CA THR A 230 -3.892 3.893 -10.598 1.00 0.00 C ATOM 599 C THR A 230 -2.687 4.519 -9.877 1.00 0.00 C ATOM 600 O THR A 230 -1.554 4.239 -10.215 1.00 0.00 O ATOM 601 CB THR A 230 -4.311 4.761 -11.793 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.482 4.459 -12.907 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.178 6.242 -11.448 1.00 0.00 C ATOM 0 H THR A 230 -5.398 4.552 -9.218 1.00 0.00 H new ATOM 0 HA THR A 230 -3.588 2.911 -10.959 1.00 0.00 H new ATOM 0 HB THR A 230 -5.352 4.549 -12.036 1.00 0.00 H new ATOM 0 HG1 THR A 230 -3.748 5.011 -13.672 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.479 6.844 -12.306 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.818 6.476 -10.598 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.142 6.465 -11.194 1.00 0.00 H new ATOM 611 N LYS A 231 -2.903 5.348 -8.886 1.00 0.00 N ATOM 612 CA LYS A 231 -1.736 5.949 -8.164 1.00 0.00 C ATOM 613 C LYS A 231 -1.732 5.451 -6.719 1.00 0.00 C ATOM 614 O LYS A 231 -0.714 5.444 -6.053 1.00 0.00 O ATOM 615 CB LYS A 231 -1.811 7.481 -8.178 1.00 0.00 C ATOM 616 CG LYS A 231 -3.236 7.941 -8.453 1.00 0.00 C ATOM 617 CD LYS A 231 -4.134 7.504 -7.302 1.00 0.00 C ATOM 618 CE LYS A 231 -5.367 8.407 -7.258 1.00 0.00 C ATOM 619 NZ LYS A 231 -4.964 9.767 -6.807 1.00 0.00 N ATOM 0 H LYS A 231 -3.822 5.632 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.819 5.647 -8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.473 7.877 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.141 7.877 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.266 9.025 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.594 7.516 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.434 6.464 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.591 7.563 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.829 8.460 -8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -6.112 7.992 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.813 10.345 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.422 9.693 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.375 10.215 -7.538 1.00 0.00 H new ATOM 633 N CYS A 232 -2.865 5.026 -6.231 1.00 0.00 N ATOM 634 CA CYS A 232 -2.942 4.516 -4.832 1.00 0.00 C ATOM 635 C CYS A 232 -3.219 3.016 -4.871 1.00 0.00 C ATOM 636 O CYS A 232 -3.787 2.447 -3.959 1.00 0.00 O ATOM 637 CB CYS A 232 -4.067 5.231 -4.093 1.00 0.00 C ATOM 638 SG CYS A 232 -3.664 6.988 -3.954 1.00 0.00 S ATOM 0 H CYS A 232 -3.746 5.010 -6.744 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.002 4.702 -4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.008 5.103 -4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.201 4.797 -3.102 1.00 0.00 H new ATOM 643 N GLN A 233 -2.821 2.376 -5.931 1.00 0.00 N ATOM 644 CA GLN A 233 -3.052 0.912 -6.066 1.00 0.00 C ATOM 645 C GLN A 233 -2.584 0.181 -4.803 1.00 0.00 C ATOM 646 O GLN A 233 -3.156 -0.814 -4.413 1.00 0.00 O ATOM 647 CB GLN A 233 -2.253 0.402 -7.268 1.00 0.00 C ATOM 648 CG GLN A 233 -2.854 0.976 -8.550 1.00 0.00 C ATOM 649 CD GLN A 233 -1.946 0.658 -9.737 1.00 0.00 C ATOM 650 OE1 GLN A 233 -0.833 0.202 -9.563 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.375 0.885 -10.945 1.00 0.00 N ATOM 0 H GLN A 233 -2.340 2.809 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.116 0.724 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.208 0.698 -7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.274 -0.687 -7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -3.846 0.556 -8.717 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -2.977 2.055 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.309 1.268 -11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -1.777 0.680 -11.745 1.00 0.00 H new ATOM 660 N ALA A 234 -1.550 0.654 -4.167 1.00 0.00 N ATOM 661 CA ALA A 234 -1.060 -0.039 -2.941 1.00 0.00 C ATOM 662 C ALA A 234 -1.976 0.261 -1.759 1.00 0.00 C ATOM 663 O ALA A 234 -2.272 -0.600 -0.959 1.00 0.00 O ATOM 664 CB ALA A 234 0.361 0.423 -2.626 1.00 0.00 C ATOM 0 H ALA A 234 -1.025 1.485 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 234 -1.062 -1.114 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.718 -0.084 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.016 0.183 -3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.365 1.500 -2.459 1.00 0.00 H new ATOM 670 N THR A 235 -2.434 1.470 -1.637 1.00 0.00 N ATOM 671 CA THR A 235 -3.331 1.798 -0.501 1.00 0.00 C ATOM 672 C THR A 235 -4.650 1.037 -0.671 1.00 0.00 C ATOM 673 O THR A 235 -5.407 0.867 0.263 1.00 0.00 O ATOM 674 CB THR A 235 -3.588 3.305 -0.475 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.583 3.938 0.304 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.959 3.585 0.134 1.00 0.00 C ATOM 0 H THR A 235 -2.228 2.242 -2.271 1.00 0.00 H new ATOM 0 HA THR A 235 -2.866 1.505 0.440 1.00 0.00 H new ATOM 0 HB THR A 235 -3.563 3.695 -1.493 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.699 3.652 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.137 4.660 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.729 3.099 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.991 3.197 1.152 1.00 0.00 H new ATOM 684 N CYS A 236 -4.932 0.588 -1.864 1.00 0.00 N ATOM 685 CA CYS A 236 -6.205 -0.149 -2.109 1.00 0.00 C ATOM 686 C CYS A 236 -5.927 -1.624 -2.429 1.00 0.00 C ATOM 687 O CYS A 236 -6.294 -2.514 -1.687 1.00 0.00 O ATOM 688 CB CYS A 236 -6.917 0.489 -3.305 1.00 0.00 C ATOM 689 SG CYS A 236 -8.506 -0.330 -3.593 1.00 0.00 S ATOM 0 H CYS A 236 -4.334 0.700 -2.682 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.824 -0.095 -1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -7.075 1.551 -3.120 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -6.292 0.410 -4.195 1.00 0.00 H new ATOM 694 N LEU A 237 -5.317 -1.882 -3.553 1.00 0.00 N ATOM 695 CA LEU A 237 -5.045 -3.289 -3.972 1.00 0.00 C ATOM 696 C LEU A 237 -4.120 -4.019 -2.988 1.00 0.00 C ATOM 697 O LEU A 237 -4.244 -5.214 -2.803 1.00 0.00 O ATOM 698 CB LEU A 237 -4.405 -3.270 -5.361 1.00 0.00 C ATOM 699 CG LEU A 237 -5.332 -2.535 -6.332 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.676 -2.463 -7.712 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.652 -3.299 -6.440 1.00 0.00 C ATOM 0 H LEU A 237 -4.991 -1.171 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.991 -3.830 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.435 -2.775 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.229 -4.288 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.517 -1.525 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.337 -1.939 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.730 -1.926 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.492 -3.472 -8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.317 -2.780 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.460 -4.307 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.121 -3.355 -5.458 1.00 0.00 H new