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 219 THR OG1 : rot -23:sc= 1.22 USER MOD Set 1.2: A 220 SER OG : rot 73:sc= 0.939 USER MOD Set 2.1: A 212 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 213 ASN :FLIP amide:sc= -0.594 F(o=-4.1!,f=-0.59) USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 195 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.1!) USER MOD Single : A 198 ASN : amide:sc= -2.02! C(o=-2!,f=-11!) USER MOD Single : A 202 THR OG1 : rot -0:sc= 0.535! USER MOD Single : A 203 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.38) 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 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 HIS : no HD1:sc= -7.53! C(o=-7.5!,f=-19!) USER MOD Single : A 229 LYS NZ :NH3+ 151:sc= -0.0016 (180deg=-0.79) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 166:sc= -4.77! (180deg=-5.46!) USER MOD Single : A 233 GLN : amide:sc= -2.25! C(o=-2.2!,f=-4.5!) USER MOD Single : A 235 THR OG1 : rot -130:sc= -0.622 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 22.307 3.064 -4.452 1.00 0.00 N ATOM 19 CA CYS A 189 21.596 1.884 -5.019 1.00 0.00 C ATOM 20 C CYS A 189 21.152 2.198 -6.449 1.00 0.00 C ATOM 21 O CYS A 189 20.045 2.640 -6.684 1.00 0.00 O ATOM 22 CB CYS A 189 20.369 1.568 -4.164 1.00 0.00 C ATOM 23 SG CYS A 189 20.045 2.951 -3.040 1.00 0.00 S ATOM 0 HA CYS A 189 22.266 1.024 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 189 19.503 1.393 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 189 20.535 0.654 -3.594 1.00 0.00 H new ATOM 28 N ALA A 190 22.009 1.973 -7.408 1.00 0.00 N ATOM 29 CA ALA A 190 21.640 2.258 -8.824 1.00 0.00 C ATOM 30 C ALA A 190 20.560 1.276 -9.288 1.00 0.00 C ATOM 31 O ALA A 190 19.715 1.607 -10.095 1.00 0.00 O ATOM 32 CB ALA A 190 22.877 2.115 -9.714 1.00 0.00 C ATOM 0 H ALA A 190 22.950 1.604 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 190 21.255 3.275 -8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 190 22.607 2.323 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 190 23.642 2.820 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 190 23.265 1.099 -9.638 1.00 0.00 H new ATOM 38 N SER A 191 20.587 0.065 -8.799 1.00 0.00 N ATOM 39 CA SER A 191 19.565 -0.935 -9.227 1.00 0.00 C ATOM 40 C SER A 191 18.291 -0.771 -8.395 1.00 0.00 C ATOM 41 O SER A 191 17.276 -1.374 -8.679 1.00 0.00 O ATOM 42 CB SER A 191 20.124 -2.343 -9.028 1.00 0.00 C ATOM 43 OG SER A 191 20.150 -2.645 -7.639 1.00 0.00 O ATOM 0 H SER A 191 21.271 -0.275 -8.123 1.00 0.00 H new ATOM 0 HA SER A 191 19.326 -0.777 -10.279 1.00 0.00 H new ATOM 0 HB2 SER A 191 19.509 -3.070 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 191 21.129 -2.411 -9.446 1.00 0.00 H new ATOM 0 HG SER A 191 20.506 -3.548 -7.507 1.00 0.00 H new ATOM 49 N CYS A 192 18.333 0.036 -7.371 1.00 0.00 N ATOM 50 CA CYS A 192 17.117 0.229 -6.532 1.00 0.00 C ATOM 51 C CYS A 192 17.213 1.563 -5.795 1.00 0.00 C ATOM 52 O CYS A 192 17.132 1.619 -4.585 1.00 0.00 O ATOM 53 CB CYS A 192 17.016 -0.910 -5.516 1.00 0.00 C ATOM 54 SG CYS A 192 16.356 -2.384 -6.329 1.00 0.00 S ATOM 0 H CYS A 192 19.153 0.568 -7.080 1.00 0.00 H new ATOM 0 HA CYS A 192 16.232 0.230 -7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 192 17.998 -1.123 -5.094 1.00 0.00 H new ATOM 0 HB3 CYS A 192 16.370 -0.618 -4.688 1.00 0.00 H new ATOM 59 N PRO A 193 17.387 2.630 -6.522 1.00 0.00 N ATOM 60 CA PRO A 193 17.501 3.996 -5.934 1.00 0.00 C ATOM 61 C PRO A 193 16.228 4.418 -5.198 1.00 0.00 C ATOM 62 O PRO A 193 16.278 5.072 -4.175 1.00 0.00 O ATOM 63 CB PRO A 193 17.742 4.906 -7.144 1.00 0.00 C ATOM 64 CG PRO A 193 17.288 4.125 -8.334 1.00 0.00 C ATOM 65 CD PRO A 193 17.490 2.653 -7.986 1.00 0.00 C ATOM 0 HA PRO A 193 18.296 4.045 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 193 17.184 5.837 -7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 193 18.795 5.173 -7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 193 16.241 4.331 -8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 193 17.863 4.397 -9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 193 16.732 2.023 -8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 193 18.460 2.290 -8.326 1.00 0.00 H new ATOM 73 N ASN A 194 15.087 4.052 -5.713 1.00 0.00 N ATOM 74 CA ASN A 194 13.813 4.438 -5.046 1.00 0.00 C ATOM 75 C ASN A 194 13.277 3.269 -4.215 1.00 0.00 C ATOM 76 O ASN A 194 12.194 3.334 -3.669 1.00 0.00 O ATOM 77 CB ASN A 194 12.782 4.828 -6.108 1.00 0.00 C ATOM 78 CG ASN A 194 13.322 5.999 -6.931 1.00 0.00 C ATOM 79 OD1 ASN A 194 14.111 6.871 -6.364 1.00 0.00 O flip ATOM 80 ND2 ASN A 194 13.029 6.120 -8.105 1.00 0.00 N flip ATOM 0 H ASN A 194 14.982 3.503 -6.566 1.00 0.00 H new ATOM 0 HA ASN A 194 13.998 5.285 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 194 12.573 3.978 -6.758 1.00 0.00 H new ATOM 0 HB3 ASN A 194 11.841 5.106 -5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 194 12.413 5.440 -8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 194 13.400 6.902 -8.645 1.00 0.00 H new ATOM 87 N ASN A 195 14.017 2.199 -4.114 1.00 0.00 N ATOM 88 CA ASN A 195 13.526 1.039 -3.318 1.00 0.00 C ATOM 89 C ASN A 195 14.691 0.368 -2.586 1.00 0.00 C ATOM 90 O ASN A 195 14.744 -0.840 -2.469 1.00 0.00 O ATOM 91 CB ASN A 195 12.859 0.026 -4.250 1.00 0.00 C ATOM 92 CG ASN A 195 11.984 -0.922 -3.429 1.00 0.00 C ATOM 93 OD1 ASN A 195 11.960 -0.849 -2.217 1.00 0.00 O ATOM 94 ND2 ASN A 195 11.258 -1.816 -4.043 1.00 0.00 N ATOM 0 H ASN A 195 14.934 2.078 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 195 12.803 1.395 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 195 12.254 0.544 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 195 13.617 -0.539 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 195 10.671 -2.453 -3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 195 11.278 -1.878 -5.061 1.00 0.00 H new ATOM 101 N CYS A 196 15.623 1.135 -2.085 1.00 0.00 N ATOM 102 CA CYS A 196 16.774 0.523 -1.356 1.00 0.00 C ATOM 103 C CYS A 196 16.823 1.068 0.073 1.00 0.00 C ATOM 104 O CYS A 196 17.210 2.196 0.301 1.00 0.00 O ATOM 105 CB CYS A 196 18.082 0.862 -2.075 1.00 0.00 C ATOM 106 SG CYS A 196 18.153 2.641 -2.405 1.00 0.00 S ATOM 0 H CYS A 196 15.638 2.153 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 196 16.647 -0.559 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 196 18.933 0.561 -1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 196 18.149 0.306 -3.010 1.00 0.00 H new ATOM 111 N GLU A 197 16.436 0.277 1.039 1.00 0.00 N ATOM 112 CA GLU A 197 16.469 0.759 2.450 1.00 0.00 C ATOM 113 C GLU A 197 17.920 0.978 2.880 1.00 0.00 C ATOM 114 O GLU A 197 18.240 1.925 3.570 1.00 0.00 O ATOM 115 CB GLU A 197 15.812 -0.280 3.362 1.00 0.00 C ATOM 116 CG GLU A 197 14.319 -0.372 3.038 1.00 0.00 C ATOM 117 CD GLU A 197 13.645 -1.354 3.997 1.00 0.00 C ATOM 118 OE1 GLU A 197 14.359 -2.045 4.704 1.00 0.00 O ATOM 119 OE2 GLU A 197 12.426 -1.395 4.011 1.00 0.00 O ATOM 0 H GLU A 197 16.100 -0.678 0.912 1.00 0.00 H new ATOM 0 HA GLU A 197 15.924 1.700 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 197 16.286 -1.252 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 197 15.952 -0.003 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 197 13.857 0.611 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 197 14.180 -0.700 2.008 1.00 0.00 H new ATOM 127 N ASN A 198 18.802 0.113 2.465 1.00 0.00 N ATOM 128 CA ASN A 198 20.237 0.266 2.833 1.00 0.00 C ATOM 129 C ASN A 198 21.096 -0.235 1.673 1.00 0.00 C ATOM 130 O ASN A 198 22.176 -0.760 1.862 1.00 0.00 O ATOM 131 CB ASN A 198 20.537 -0.555 4.089 1.00 0.00 C ATOM 132 CG ASN A 198 20.607 -2.039 3.728 1.00 0.00 C ATOM 133 OD1 ASN A 198 20.169 -2.440 2.669 1.00 0.00 O ATOM 134 ND2 ASN A 198 21.144 -2.879 4.571 1.00 0.00 N ATOM 0 H ASN A 198 18.590 -0.698 1.884 1.00 0.00 H new ATOM 0 HA ASN A 198 20.459 1.314 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 198 21.481 -0.233 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 198 19.763 -0.389 4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 198 21.195 -3.871 4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 198 21.512 -2.543 5.461 1.00 0.00 H new ATOM 141 N GLY A 199 20.613 -0.088 0.471 1.00 0.00 N ATOM 142 CA GLY A 199 21.381 -0.566 -0.711 1.00 0.00 C ATOM 143 C GLY A 199 20.800 -1.905 -1.170 1.00 0.00 C ATOM 144 O GLY A 199 21.202 -2.459 -2.173 1.00 0.00 O ATOM 0 H GLY A 199 19.715 0.345 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 199 21.326 0.165 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 199 22.434 -0.680 -0.455 1.00 0.00 H new ATOM 148 N LEU A 200 19.847 -2.421 -0.441 1.00 0.00 N ATOM 149 CA LEU A 200 19.221 -3.717 -0.825 1.00 0.00 C ATOM 150 C LEU A 200 17.802 -3.464 -1.334 1.00 0.00 C ATOM 151 O LEU A 200 17.077 -2.655 -0.793 1.00 0.00 O ATOM 152 CB LEU A 200 19.157 -4.629 0.401 1.00 0.00 C ATOM 153 CG LEU A 200 20.572 -4.924 0.898 1.00 0.00 C ATOM 154 CD1 LEU A 200 20.502 -5.793 2.154 1.00 0.00 C ATOM 155 CD2 LEU A 200 21.344 -5.673 -0.190 1.00 0.00 C ATOM 0 H LEU A 200 19.474 -1.997 0.409 1.00 0.00 H new ATOM 0 HA LEU A 200 19.814 -4.190 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 200 18.576 -4.153 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 200 18.649 -5.559 0.148 1.00 0.00 H new ATOM 0 HG LEU A 200 21.078 -3.987 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 200 21.511 -6.003 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 200 19.948 -5.266 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 200 19.997 -6.730 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 200 22.354 -5.885 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 200 20.835 -6.609 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 200 21.394 -5.059 -1.089 1.00 0.00 H new ATOM 167 N CYS A 201 17.397 -4.151 -2.366 1.00 0.00 N ATOM 168 CA CYS A 201 16.019 -3.944 -2.898 1.00 0.00 C ATOM 169 C CYS A 201 15.016 -4.621 -1.963 1.00 0.00 C ATOM 170 O CYS A 201 15.052 -5.819 -1.765 1.00 0.00 O ATOM 171 CB CYS A 201 15.910 -4.570 -4.290 1.00 0.00 C ATOM 172 SG CYS A 201 17.224 -3.922 -5.352 1.00 0.00 S ATOM 0 H CYS A 201 17.957 -4.844 -2.863 1.00 0.00 H new ATOM 0 HA CYS A 201 15.807 -2.877 -2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 201 15.988 -5.655 -4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 201 14.935 -4.348 -4.724 1.00 0.00 H new ATOM 177 N THR A 202 14.122 -3.865 -1.387 1.00 0.00 N ATOM 178 CA THR A 202 13.120 -4.468 -0.468 1.00 0.00 C ATOM 179 C THR A 202 11.713 -4.203 -1.003 1.00 0.00 C ATOM 180 O THR A 202 11.355 -3.084 -1.312 1.00 0.00 O ATOM 181 CB THR A 202 13.265 -3.843 0.922 1.00 0.00 C ATOM 182 OG1 THR A 202 12.697 -2.540 0.915 1.00 0.00 O ATOM 183 CG2 THR A 202 14.748 -3.752 1.289 1.00 0.00 C ATOM 0 H THR A 202 14.043 -2.856 -1.514 1.00 0.00 H new ATOM 0 HA THR A 202 13.286 -5.543 -0.403 1.00 0.00 H new ATOM 0 HB THR A 202 12.748 -4.462 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 202 12.350 -2.339 0.021 1.00 0.00 H new ATOM 0 HG21 THR A 202 14.851 -3.307 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 202 15.184 -4.751 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 202 15.267 -3.133 0.557 1.00 0.00 H new ATOM 191 N ASN A 203 10.909 -5.225 -1.107 1.00 0.00 N ATOM 192 CA ASN A 203 9.521 -5.036 -1.613 1.00 0.00 C ATOM 193 C ASN A 203 8.546 -5.097 -0.435 1.00 0.00 C ATOM 194 O ASN A 203 8.307 -6.147 0.128 1.00 0.00 O ATOM 195 CB ASN A 203 9.182 -6.144 -2.612 1.00 0.00 C ATOM 196 CG ASN A 203 7.892 -5.787 -3.351 1.00 0.00 C ATOM 197 OD1 ASN A 203 7.761 -4.699 -3.874 1.00 0.00 O ATOM 198 ND2 ASN A 203 6.926 -6.663 -3.415 1.00 0.00 N ATOM 0 H ASN A 203 11.154 -6.185 -0.863 1.00 0.00 H new ATOM 0 HA ASN A 203 9.441 -4.068 -2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 203 9.998 -6.269 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 203 9.064 -7.094 -2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 203 6.061 -6.434 -3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 203 7.036 -7.577 -2.976 1.00 0.00 H new ATOM 239 N PHE A 207 2.278 -3.333 -4.861 1.00 0.00 N ATOM 240 CA PHE A 207 1.821 -2.010 -5.368 1.00 0.00 C ATOM 241 C PHE A 207 2.552 -0.888 -4.637 1.00 0.00 C ATOM 242 O PHE A 207 3.051 -1.061 -3.542 1.00 0.00 O ATOM 243 CB PHE A 207 0.324 -1.863 -5.108 1.00 0.00 C ATOM 244 CG PHE A 207 -0.463 -2.561 -6.184 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.409 -2.094 -7.498 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.247 -3.674 -5.864 1.00 0.00 C ATOM 247 CE1 PHE A 207 -1.143 -2.740 -8.500 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.980 -4.321 -6.861 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.928 -3.856 -8.182 1.00 0.00 C ATOM 0 HA PHE A 207 2.031 -1.949 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.074 -2.284 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.055 -0.807 -5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.199 -1.235 -7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.286 -4.033 -4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -1.104 -2.378 -9.517 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.587 -5.180 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.493 -4.357 -8.954 1.00 0.00 H new ATOM 259 N GLU A 208 2.605 0.268 -5.237 1.00 0.00 N ATOM 260 CA GLU A 208 3.287 1.418 -4.586 1.00 0.00 C ATOM 261 C GLU A 208 2.364 2.638 -4.653 1.00 0.00 C ATOM 262 O GLU A 208 1.718 2.881 -5.652 1.00 0.00 O ATOM 263 CB GLU A 208 4.593 1.713 -5.323 1.00 0.00 C ATOM 264 CG GLU A 208 5.484 0.469 -5.284 1.00 0.00 C ATOM 265 CD GLU A 208 5.036 -0.517 -6.364 1.00 0.00 C ATOM 266 OE1 GLU A 208 4.186 -0.149 -7.161 1.00 0.00 O ATOM 267 OE2 GLU A 208 5.547 -1.625 -6.377 1.00 0.00 O ATOM 0 H GLU A 208 2.203 0.465 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 208 3.510 1.184 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.386 1.995 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 208 5.104 2.556 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 208 6.525 0.750 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.427 -0.001 -4.302 1.00 0.00 H new ATOM 275 N ASP A 209 2.291 3.405 -3.600 1.00 0.00 N ATOM 276 CA ASP A 209 1.399 4.599 -3.620 1.00 0.00 C ATOM 277 C ASP A 209 2.086 5.735 -4.377 1.00 0.00 C ATOM 278 O ASP A 209 3.000 6.363 -3.882 1.00 0.00 O ATOM 279 CB ASP A 209 1.093 5.044 -2.187 1.00 0.00 C ATOM 280 CG ASP A 209 2.188 4.548 -1.239 1.00 0.00 C ATOM 281 OD1 ASP A 209 2.632 5.333 -0.417 1.00 0.00 O ATOM 282 OD2 ASP A 209 2.558 3.390 -1.343 1.00 0.00 O ATOM 0 H ASP A 209 2.806 3.258 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 209 0.465 4.343 -4.120 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.026 6.131 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.125 4.652 -1.875 1.00 0.00 H new ATOM 288 N LEU A 210 1.644 6.005 -5.574 1.00 0.00 N ATOM 289 CA LEU A 210 2.261 7.102 -6.367 1.00 0.00 C ATOM 290 C LEU A 210 2.080 8.431 -5.624 1.00 0.00 C ATOM 291 O LEU A 210 2.874 9.339 -5.760 1.00 0.00 O ATOM 292 CB LEU A 210 1.597 7.164 -7.749 1.00 0.00 C ATOM 293 CG LEU A 210 1.820 5.837 -8.485 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.236 5.925 -9.897 1.00 0.00 C ATOM 295 CD2 LEU A 210 3.320 5.552 -8.582 1.00 0.00 C ATOM 0 H LEU A 210 0.881 5.512 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 210 3.327 6.915 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.530 7.358 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 210 2.015 7.988 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 210 1.327 5.036 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 210 1.396 4.980 -10.417 1.00 0.00 H new ATOM 0 HD12 LEU A 210 0.167 6.129 -9.837 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.728 6.729 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.478 4.609 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.809 6.357 -9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 210 3.743 5.486 -7.580 1.00 0.00 H new ATOM 307 N LEU A 211 1.047 8.548 -4.828 1.00 0.00 N ATOM 308 CA LEU A 211 0.829 9.817 -4.068 1.00 0.00 C ATOM 309 C LEU A 211 1.201 9.604 -2.599 1.00 0.00 C ATOM 310 O LEU A 211 1.008 8.539 -2.048 1.00 0.00 O ATOM 311 CB LEU A 211 -0.641 10.234 -4.154 1.00 0.00 C ATOM 312 CG LEU A 211 -1.053 10.370 -5.619 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.496 10.874 -5.701 1.00 0.00 C ATOM 314 CD2 LEU A 211 -0.128 11.365 -6.322 1.00 0.00 C ATOM 0 H LEU A 211 0.347 7.822 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 211 1.454 10.599 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.269 9.494 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.792 11.180 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.978 9.398 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.789 10.971 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -3.158 10.165 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.570 11.845 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -0.423 11.461 -7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -0.201 12.337 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 211 0.900 11.007 -6.267 1.00 0.00 H new ATOM 326 N SER A 212 1.730 10.611 -1.960 1.00 0.00 N ATOM 327 CA SER A 212 2.109 10.469 -0.526 1.00 0.00 C ATOM 328 C SER A 212 0.881 10.708 0.353 1.00 0.00 C ATOM 329 O SER A 212 0.940 10.592 1.562 1.00 0.00 O ATOM 330 CB SER A 212 3.186 11.500 -0.182 1.00 0.00 C ATOM 331 OG SER A 212 2.591 12.790 -0.105 1.00 0.00 O ATOM 0 H SER A 212 1.916 11.527 -2.369 1.00 0.00 H new ATOM 0 HA SER A 212 2.493 9.464 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.659 11.247 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.969 11.492 -0.940 1.00 0.00 H new ATOM 0 HG SER A 212 3.277 13.454 0.117 1.00 0.00 H new ATOM 337 N ASN A 213 -0.231 11.043 -0.244 1.00 0.00 N ATOM 338 CA ASN A 213 -1.462 11.293 0.558 1.00 0.00 C ATOM 339 C ASN A 213 -2.549 10.294 0.157 1.00 0.00 C ATOM 340 O ASN A 213 -3.728 10.572 0.260 1.00 0.00 O ATOM 341 CB ASN A 213 -1.951 12.718 0.302 1.00 0.00 C ATOM 342 CG ASN A 213 -0.948 13.712 0.887 1.00 0.00 C ATOM 343 OD1 ASN A 213 0.139 13.263 1.455 1.00 0.00 O flip ATOM 344 ND2 ASN A 213 -1.155 14.908 0.831 1.00 0.00 N flip ATOM 0 H ASN A 213 -0.340 11.154 -1.252 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.238 11.171 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.066 12.888 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -2.931 12.865 0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -2.004 15.258 0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -0.480 15.562 1.228 1.00 0.00 H new ATOM 351 N CYS A 214 -2.163 9.137 -0.304 1.00 0.00 N ATOM 352 CA CYS A 214 -3.173 8.121 -0.715 1.00 0.00 C ATOM 353 C CYS A 214 -4.104 7.808 0.453 1.00 0.00 C ATOM 354 O CYS A 214 -5.302 7.693 0.288 1.00 0.00 O ATOM 355 CB CYS A 214 -2.452 6.847 -1.153 1.00 0.00 C ATOM 356 SG CYS A 214 -1.865 7.060 -2.847 1.00 0.00 S ATOM 0 H CYS A 214 -1.190 8.850 -0.414 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.765 8.513 -1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.614 6.640 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.126 5.993 -1.092 1.00 0.00 H new ATOM 361 N GLU A 215 -3.575 7.680 1.638 1.00 0.00 N ATOM 362 CA GLU A 215 -4.451 7.389 2.802 1.00 0.00 C ATOM 363 C GLU A 215 -5.484 8.508 2.914 1.00 0.00 C ATOM 364 O GLU A 215 -6.633 8.285 3.236 1.00 0.00 O ATOM 365 CB GLU A 215 -3.607 7.338 4.078 1.00 0.00 C ATOM 366 CG GLU A 215 -4.481 6.890 5.251 1.00 0.00 C ATOM 367 CD GLU A 215 -3.665 6.943 6.545 1.00 0.00 C ATOM 368 OE1 GLU A 215 -2.507 7.321 6.477 1.00 0.00 O ATOM 369 OE2 GLU A 215 -4.214 6.608 7.582 1.00 0.00 O ATOM 0 H GLU A 215 -2.580 7.764 1.848 1.00 0.00 H new ATOM 0 HA GLU A 215 -4.949 6.429 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.773 6.648 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.180 8.319 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.356 7.535 5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.846 5.877 5.080 1.00 0.00 H new ATOM 377 N SER A 216 -5.073 9.715 2.634 1.00 0.00 N ATOM 378 CA SER A 216 -6.014 10.865 2.704 1.00 0.00 C ATOM 379 C SER A 216 -7.109 10.703 1.644 1.00 0.00 C ATOM 380 O SER A 216 -8.268 10.975 1.885 1.00 0.00 O ATOM 381 CB SER A 216 -5.242 12.158 2.438 1.00 0.00 C ATOM 382 OG SER A 216 -6.073 13.272 2.737 1.00 0.00 O ATOM 0 H SER A 216 -4.120 9.953 2.358 1.00 0.00 H new ATOM 0 HA SER A 216 -6.472 10.901 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.340 12.189 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 216 -4.923 12.197 1.396 1.00 0.00 H new ATOM 0 HG SER A 216 -5.580 14.102 2.569 1.00 0.00 H new ATOM 388 N LEU A 217 -6.743 10.271 0.465 1.00 0.00 N ATOM 389 CA LEU A 217 -7.751 10.100 -0.621 1.00 0.00 C ATOM 390 C LEU A 217 -8.737 8.986 -0.255 1.00 0.00 C ATOM 391 O LEU A 217 -9.910 9.060 -0.562 1.00 0.00 O ATOM 392 CB LEU A 217 -7.034 9.742 -1.924 1.00 0.00 C ATOM 393 CG LEU A 217 -6.009 10.826 -2.260 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.338 10.494 -3.594 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.714 12.180 -2.369 1.00 0.00 C ATOM 0 H LEU A 217 -5.786 10.029 0.208 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.302 11.032 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.538 8.777 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.757 9.647 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.256 10.871 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.607 11.266 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.836 9.529 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -6.092 10.450 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.983 12.952 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.467 12.136 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.195 12.417 -1.420 1.00 0.00 H new ATOM 407 N LYS A 218 -8.271 7.952 0.392 1.00 0.00 N ATOM 408 CA LYS A 218 -9.186 6.836 0.767 1.00 0.00 C ATOM 409 C LYS A 218 -10.315 7.385 1.638 1.00 0.00 C ATOM 410 O LYS A 218 -11.465 7.024 1.486 1.00 0.00 O ATOM 411 CB LYS A 218 -8.399 5.787 1.559 1.00 0.00 C ATOM 412 CG LYS A 218 -9.114 4.429 1.501 1.00 0.00 C ATOM 413 CD LYS A 218 -10.166 4.333 2.613 1.00 0.00 C ATOM 414 CE LYS A 218 -9.494 4.477 3.979 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.119 3.526 4.941 1.00 0.00 N ATOM 0 H LYS A 218 -7.299 7.832 0.676 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.604 6.381 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.392 5.693 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.295 6.107 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.590 4.302 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.388 3.623 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.917 5.112 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.685 3.377 2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.426 4.276 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -9.598 5.500 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -9.663 3.623 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.133 3.738 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -9.997 2.553 4.595 1.00 0.00 H new ATOM 429 N THR A 219 -9.992 8.256 2.552 1.00 0.00 N ATOM 430 CA THR A 219 -11.031 8.831 3.440 1.00 0.00 C ATOM 431 C THR A 219 -11.914 9.803 2.652 1.00 0.00 C ATOM 432 O THR A 219 -12.980 10.180 3.095 1.00 0.00 O ATOM 433 CB THR A 219 -10.344 9.575 4.585 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.596 10.662 4.058 1.00 0.00 O ATOM 435 CG2 THR A 219 -9.406 8.621 5.328 1.00 0.00 C ATOM 0 H THR A 219 -9.045 8.595 2.721 1.00 0.00 H new ATOM 0 HA THR A 219 -11.656 8.031 3.837 1.00 0.00 H new ATOM 0 HB THR A 219 -11.097 9.952 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.384 10.488 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 219 -8.917 9.153 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 219 -9.980 7.787 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 219 -8.652 8.242 4.639 1.00 0.00 H new ATOM 443 N SER A 220 -11.478 10.218 1.493 1.00 0.00 N ATOM 444 CA SER A 220 -12.295 11.173 0.688 1.00 0.00 C ATOM 445 C SER A 220 -12.785 10.493 -0.595 1.00 0.00 C ATOM 446 O SER A 220 -13.947 10.167 -0.731 1.00 0.00 O ATOM 447 CB SER A 220 -11.442 12.389 0.327 1.00 0.00 C ATOM 448 OG SER A 220 -10.338 12.471 1.220 1.00 0.00 O ATOM 0 H SER A 220 -10.593 9.938 1.069 1.00 0.00 H new ATOM 0 HA SER A 220 -13.158 11.489 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 220 -11.088 12.307 -0.701 1.00 0.00 H new ATOM 0 HB3 SER A 220 -12.041 13.298 0.386 1.00 0.00 H new ATOM 0 HG SER A 220 -9.687 11.772 1.001 1.00 0.00 H new ATOM 454 N ALA A 221 -11.910 10.287 -1.544 1.00 0.00 N ATOM 455 CA ALA A 221 -12.331 9.641 -2.821 1.00 0.00 C ATOM 456 C ALA A 221 -12.799 8.208 -2.553 1.00 0.00 C ATOM 457 O ALA A 221 -13.787 7.757 -3.100 1.00 0.00 O ATOM 458 CB ALA A 221 -11.146 9.613 -3.791 1.00 0.00 C ATOM 0 H ALA A 221 -10.923 10.538 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.152 10.211 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.451 9.141 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -10.815 10.632 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.327 9.046 -3.349 1.00 0.00 H new ATOM 464 N GLY A 222 -12.100 7.487 -1.723 1.00 0.00 N ATOM 465 CA GLY A 222 -12.505 6.084 -1.429 1.00 0.00 C ATOM 466 C GLY A 222 -11.639 5.128 -2.250 1.00 0.00 C ATOM 467 O GLY A 222 -11.272 5.416 -3.371 1.00 0.00 O ATOM 0 H GLY A 222 -11.264 7.809 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.390 5.875 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.558 5.939 -1.671 1.00 0.00 H new ATOM 471 N CYS A 223 -11.303 3.996 -1.698 1.00 0.00 N ATOM 472 CA CYS A 223 -10.453 3.027 -2.445 1.00 0.00 C ATOM 473 C CYS A 223 -11.224 2.455 -3.636 1.00 0.00 C ATOM 474 O CYS A 223 -10.690 2.303 -4.717 1.00 0.00 O ATOM 475 CB CYS A 223 -10.038 1.893 -1.510 1.00 0.00 C ATOM 476 SG CYS A 223 -8.426 2.287 -0.794 1.00 0.00 S ATOM 0 H CYS A 223 -11.580 3.700 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.566 3.542 -2.815 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -10.779 1.764 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.988 0.952 -2.058 1.00 0.00 H new ATOM 481 N LYS A 224 -12.475 2.144 -3.453 1.00 0.00 N ATOM 482 CA LYS A 224 -13.270 1.591 -4.580 1.00 0.00 C ATOM 483 C LYS A 224 -13.183 2.551 -5.768 1.00 0.00 C ATOM 484 O LYS A 224 -13.477 2.195 -6.892 1.00 0.00 O ATOM 485 CB LYS A 224 -14.726 1.432 -4.147 1.00 0.00 C ATOM 486 CG LYS A 224 -15.498 0.669 -5.223 1.00 0.00 C ATOM 487 CD LYS A 224 -16.967 0.563 -4.816 1.00 0.00 C ATOM 488 CE LYS A 224 -17.692 -0.394 -5.762 1.00 0.00 C ATOM 489 NZ LYS A 224 -19.159 -0.327 -5.509 1.00 0.00 N ATOM 0 H LYS A 224 -12.980 2.249 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 224 -12.877 0.616 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.778 0.897 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -15.177 2.411 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -15.411 1.182 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -15.073 -0.326 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -17.046 0.205 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -17.436 1.547 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -17.478 -0.130 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -17.333 -1.412 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -19.652 -0.978 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -19.354 -0.599 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -19.496 0.643 -5.673 1.00 0.00 H new ATOM 503 N HIS A 225 -12.785 3.770 -5.523 1.00 0.00 N ATOM 504 CA HIS A 225 -12.680 4.760 -6.631 1.00 0.00 C ATOM 505 C HIS A 225 -11.538 4.356 -7.570 1.00 0.00 C ATOM 506 O HIS A 225 -10.456 4.009 -7.139 1.00 0.00 O ATOM 507 CB HIS A 225 -12.399 6.146 -6.046 1.00 0.00 C ATOM 508 CG HIS A 225 -12.525 7.180 -7.128 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.091 6.949 -8.424 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.040 8.453 -7.125 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.351 8.055 -9.142 1.00 0.00 C ATOM 512 NE2 HIS A 225 -12.928 8.999 -8.398 1.00 0.00 N ATOM 0 H HIS A 225 -12.528 4.123 -4.601 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.615 4.785 -7.190 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -13.100 6.361 -5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.398 6.175 -5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.466 8.952 -6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.121 8.165 -10.191 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.225 9.927 -8.700 1.00 0.00 H new ATOM 521 N GLU A 226 -11.778 4.391 -8.852 1.00 0.00 N ATOM 522 CA GLU A 226 -10.722 4.003 -9.831 1.00 0.00 C ATOM 523 C GLU A 226 -9.487 4.893 -9.665 1.00 0.00 C ATOM 524 O GLU A 226 -8.368 4.455 -9.856 1.00 0.00 O ATOM 525 CB GLU A 226 -11.265 4.155 -11.253 1.00 0.00 C ATOM 526 CG GLU A 226 -10.222 3.665 -12.260 1.00 0.00 C ATOM 527 CD GLU A 226 -10.044 2.152 -12.119 1.00 0.00 C ATOM 528 OE1 GLU A 226 -8.986 1.664 -12.480 1.00 0.00 O ATOM 529 OE2 GLU A 226 -10.969 1.507 -11.653 1.00 0.00 O ATOM 0 H GLU A 226 -12.666 4.674 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.439 2.966 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.187 3.584 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.511 5.199 -11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -10.537 3.911 -13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -9.272 4.171 -12.090 1.00 0.00 H new ATOM 537 N LEU A 227 -9.670 6.140 -9.326 1.00 0.00 N ATOM 538 CA LEU A 227 -8.492 7.042 -9.172 1.00 0.00 C ATOM 539 C LEU A 227 -7.449 6.397 -8.256 1.00 0.00 C ATOM 540 O LEU A 227 -6.293 6.293 -8.609 1.00 0.00 O ATOM 541 CB LEU A 227 -8.943 8.382 -8.588 1.00 0.00 C ATOM 542 CG LEU A 227 -9.436 9.286 -9.721 1.00 0.00 C ATOM 543 CD1 LEU A 227 -10.288 10.417 -9.147 1.00 0.00 C ATOM 544 CD2 LEU A 227 -8.235 9.884 -10.460 1.00 0.00 C ATOM 0 H LEU A 227 -10.577 6.572 -9.150 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.042 7.210 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.739 8.225 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.117 8.858 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 227 -10.036 8.695 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.636 11.057 -9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -11.146 9.996 -8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -9.690 11.005 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.587 10.527 -11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -7.635 10.470 -9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -7.627 9.081 -10.876 1.00 0.00 H new ATOM 556 N LEU A 228 -7.839 5.946 -7.095 1.00 0.00 N ATOM 557 CA LEU A 228 -6.852 5.296 -6.187 1.00 0.00 C ATOM 558 C LEU A 228 -6.367 3.999 -6.823 1.00 0.00 C ATOM 559 O LEU A 228 -5.278 3.527 -6.560 1.00 0.00 O ATOM 560 CB LEU A 228 -7.498 4.996 -4.829 1.00 0.00 C ATOM 561 CG LEU A 228 -7.499 6.265 -3.971 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.677 7.156 -4.366 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.622 5.890 -2.491 1.00 0.00 C ATOM 0 H LEU A 228 -8.793 5.999 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.009 5.969 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.518 4.639 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -6.950 4.202 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.565 6.804 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.673 8.057 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.588 7.432 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.610 6.615 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.622 6.796 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.552 5.345 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.779 5.261 -2.204 1.00 0.00 H new ATOM 575 N LYS A 229 -7.185 3.411 -7.642 1.00 0.00 N ATOM 576 CA LYS A 229 -6.813 2.131 -8.292 1.00 0.00 C ATOM 577 C LYS A 229 -5.677 2.341 -9.302 1.00 0.00 C ATOM 578 O LYS A 229 -5.232 1.403 -9.934 1.00 0.00 O ATOM 579 CB LYS A 229 -8.036 1.565 -9.011 1.00 0.00 C ATOM 580 CG LYS A 229 -7.976 0.038 -8.998 1.00 0.00 C ATOM 581 CD LYS A 229 -8.211 -0.465 -7.571 1.00 0.00 C ATOM 582 CE LYS A 229 -9.254 -1.584 -7.588 1.00 0.00 C ATOM 583 NZ LYS A 229 -8.692 -2.777 -8.281 1.00 0.00 N ATOM 0 H LYS A 229 -8.107 3.767 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.469 1.434 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.948 1.907 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -8.068 1.929 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.730 -0.373 -9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -7.006 -0.303 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.277 -0.831 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.551 0.354 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.541 -1.844 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.157 -1.246 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.129 -3.639 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -8.891 -2.712 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -7.664 -2.813 -8.131 1.00 0.00 H new ATOM 597 N THR A 230 -5.211 3.551 -9.484 1.00 0.00 N ATOM 598 CA THR A 230 -4.115 3.759 -10.479 1.00 0.00 C ATOM 599 C THR A 230 -2.877 4.392 -9.818 1.00 0.00 C ATOM 600 O THR A 230 -1.761 4.076 -10.177 1.00 0.00 O ATOM 601 CB THR A 230 -4.624 4.624 -11.641 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.912 4.288 -12.822 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.425 6.104 -11.336 1.00 0.00 C ATOM 0 H THR A 230 -5.533 4.388 -8.998 1.00 0.00 H new ATOM 0 HA THR A 230 -3.812 2.788 -10.872 1.00 0.00 H new ATOM 0 HB THR A 230 -5.689 4.435 -11.779 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.236 4.837 -13.566 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.792 6.700 -12.171 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.976 6.367 -10.433 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.364 6.305 -11.185 1.00 0.00 H new ATOM 611 N LYS A 231 -3.044 5.263 -8.851 1.00 0.00 N ATOM 612 CA LYS A 231 -1.843 5.870 -8.189 1.00 0.00 C ATOM 613 C LYS A 231 -1.796 5.427 -6.725 1.00 0.00 C ATOM 614 O LYS A 231 -0.760 5.457 -6.089 1.00 0.00 O ATOM 615 CB LYS A 231 -1.893 7.403 -8.249 1.00 0.00 C ATOM 616 CG LYS A 231 -3.321 7.891 -8.456 1.00 0.00 C ATOM 617 CD LYS A 231 -4.166 7.495 -7.252 1.00 0.00 C ATOM 618 CE LYS A 231 -5.373 8.432 -7.153 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.838 8.788 -8.523 1.00 0.00 N ATOM 0 H LYS A 231 -3.947 5.577 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.952 5.532 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.492 7.821 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.261 7.760 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.333 8.973 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.737 7.458 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.500 6.462 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.571 7.552 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.177 7.949 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.103 9.334 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.782 9.221 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.172 9.463 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -5.884 7.929 -9.108 1.00 0.00 H new ATOM 633 N CYS A 232 -2.909 5.013 -6.186 1.00 0.00 N ATOM 634 CA CYS A 232 -2.934 4.563 -4.765 1.00 0.00 C ATOM 635 C CYS A 232 -3.222 3.064 -4.717 1.00 0.00 C ATOM 636 O CYS A 232 -3.750 2.549 -3.752 1.00 0.00 O ATOM 637 CB CYS A 232 -4.021 5.322 -4.011 1.00 0.00 C ATOM 638 SG CYS A 232 -3.571 7.069 -3.923 1.00 0.00 S ATOM 0 H CYS A 232 -3.806 4.967 -6.670 1.00 0.00 H new ATOM 0 HA CYS A 232 -1.969 4.762 -4.299 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -4.980 5.206 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.138 4.913 -3.007 1.00 0.00 H new ATOM 643 N GLN A 233 -2.881 2.367 -5.760 1.00 0.00 N ATOM 644 CA GLN A 233 -3.132 0.901 -5.805 1.00 0.00 C ATOM 645 C GLN A 233 -2.560 0.223 -4.557 1.00 0.00 C ATOM 646 O GLN A 233 -3.136 -0.709 -4.033 1.00 0.00 O ATOM 647 CB GLN A 233 -2.452 0.333 -7.049 1.00 0.00 C ATOM 648 CG GLN A 233 -3.146 0.883 -8.295 1.00 0.00 C ATOM 649 CD GLN A 233 -2.379 0.452 -9.546 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.282 -0.061 -9.453 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.911 0.645 -10.721 1.00 0.00 N ATOM 0 H GLN A 233 -2.435 2.753 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.206 0.716 -5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.396 0.603 -7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.502 -0.756 -7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.172 0.518 -8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.196 1.971 -8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.832 1.076 -10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.406 0.365 -11.562 1.00 0.00 H new ATOM 660 N ALA A 234 -1.433 0.670 -4.076 1.00 0.00 N ATOM 661 CA ALA A 234 -0.839 0.029 -2.869 1.00 0.00 C ATOM 662 C ALA A 234 -1.643 0.397 -1.624 1.00 0.00 C ATOM 663 O ALA A 234 -1.777 -0.389 -0.710 1.00 0.00 O ATOM 664 CB ALA A 234 0.607 0.495 -2.701 1.00 0.00 C ATOM 0 H ALA A 234 -0.900 1.448 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.862 -1.053 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 234 1.040 0.025 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.185 0.214 -3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.629 1.578 -2.583 1.00 0.00 H new ATOM 670 N THR A 235 -2.178 1.582 -1.575 1.00 0.00 N ATOM 671 CA THR A 235 -2.968 1.980 -0.378 1.00 0.00 C ATOM 672 C THR A 235 -4.237 1.130 -0.303 1.00 0.00 C ATOM 673 O THR A 235 -4.746 0.846 0.764 1.00 0.00 O ATOM 674 CB THR A 235 -3.339 3.460 -0.484 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.377 4.238 0.214 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.728 3.693 0.113 1.00 0.00 C ATOM 0 H THR A 235 -2.104 2.289 -2.306 1.00 0.00 H new ATOM 0 HA THR A 235 -2.376 1.822 0.523 1.00 0.00 H new ATOM 0 HB THR A 235 -3.352 3.755 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 235 -2.835 4.859 0.818 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.985 4.749 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.462 3.099 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.727 3.397 1.162 1.00 0.00 H new ATOM 684 N CYS A 236 -4.755 0.728 -1.431 1.00 0.00 N ATOM 685 CA CYS A 236 -5.996 -0.096 -1.435 1.00 0.00 C ATOM 686 C CYS A 236 -5.648 -1.569 -1.659 1.00 0.00 C ATOM 687 O CYS A 236 -5.885 -2.409 -0.813 1.00 0.00 O ATOM 688 CB CYS A 236 -6.903 0.391 -2.564 1.00 0.00 C ATOM 689 SG CYS A 236 -7.176 2.166 -2.372 1.00 0.00 S ATOM 0 H CYS A 236 -4.371 0.936 -2.353 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.504 0.003 -0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.446 0.183 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.854 -0.141 -2.540 1.00 0.00 H new ATOM 694 N LEU A 237 -5.097 -1.889 -2.796 1.00 0.00 N ATOM 695 CA LEU A 237 -4.744 -3.307 -3.080 1.00 0.00 C ATOM 696 C LEU A 237 -3.715 -3.796 -2.057 1.00 0.00 C ATOM 697 O LEU A 237 -3.693 -4.955 -1.692 1.00 0.00 O ATOM 698 CB LEU A 237 -4.174 -3.414 -4.497 1.00 0.00 C ATOM 699 CG LEU A 237 -5.177 -2.818 -5.493 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.690 -3.062 -6.922 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.542 -3.482 -5.307 1.00 0.00 C ATOM 0 H LEU A 237 -4.876 -1.229 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.636 -3.929 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.223 -2.885 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -3.975 -4.457 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.264 -1.746 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.404 -2.638 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.718 -2.589 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.600 -4.134 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.253 -3.057 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.452 -4.554 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -6.895 -3.309 -4.291 1.00 0.00 H new