USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=11 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= 0 K(o=-6.1,f=-7.2) USER MOD Set 1.2: A 203 ASN : amide:sc= -6.11! C(o=-6.1!,f=-7.3!) USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.2!) USER MOD Single : A 198 ASN : amide:sc= -1.83! C(o=-1.8!,f=-11!) USER MOD Single : A 202 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN : amide:sc= 0 K(o=0,f=-2!) 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= -9.61! C(o=-9.6!,f=-20!) USER MOD Single : A 229 LYS NZ :NH3+ -156:sc=-0.00478 (180deg=-0.284) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -160:sc= -5.24! (180deg=-6.05!) USER MOD Single : A 233 GLN :FLIP amide:sc= -2.18! C(o=-4.8!,f=-2.2!) USER MOD Single : A 235 THR OG1 : rot -138:sc= -0.986 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 18.889 2.140 -1.323 1.00 0.00 N ATOM 19 CA CYS A 189 18.172 2.205 -0.019 1.00 0.00 C ATOM 20 C CYS A 189 17.606 3.610 0.197 1.00 0.00 C ATOM 21 O CYS A 189 16.814 3.838 1.091 1.00 0.00 O ATOM 22 CB CYS A 189 19.142 1.868 1.115 1.00 0.00 C ATOM 23 SG CYS A 189 19.620 0.128 0.999 1.00 0.00 S ATOM 0 HA CYS A 189 17.353 1.486 -0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 189 20.025 2.504 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 189 18.674 2.064 2.079 1.00 0.00 H new ATOM 28 N ALA A 190 18.007 4.557 -0.605 1.00 0.00 N ATOM 29 CA ALA A 190 17.491 5.944 -0.428 1.00 0.00 C ATOM 30 C ALA A 190 15.962 5.925 -0.433 1.00 0.00 C ATOM 31 O ALA A 190 15.325 6.572 0.373 1.00 0.00 O ATOM 32 CB ALA A 190 17.991 6.823 -1.577 1.00 0.00 C ATOM 0 H ALA A 190 18.667 4.432 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 190 17.847 6.345 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 190 17.614 7.838 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 190 19.081 6.838 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 190 17.634 6.420 -2.525 1.00 0.00 H new ATOM 38 N SER A 191 15.367 5.183 -1.326 1.00 0.00 N ATOM 39 CA SER A 191 13.879 5.123 -1.365 1.00 0.00 C ATOM 40 C SER A 191 13.396 4.043 -0.397 1.00 0.00 C ATOM 41 O SER A 191 12.216 3.903 -0.142 1.00 0.00 O ATOM 42 CB SER A 191 13.417 4.783 -2.784 1.00 0.00 C ATOM 43 OG SER A 191 13.662 3.405 -3.040 1.00 0.00 O ATOM 0 H SER A 191 15.845 4.618 -2.028 1.00 0.00 H new ATOM 0 HA SER A 191 13.465 6.088 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 191 12.355 5.002 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 191 13.948 5.400 -3.509 1.00 0.00 H new ATOM 0 HG SER A 191 13.366 3.183 -3.947 1.00 0.00 H new ATOM 49 N CYS A 192 14.303 3.276 0.145 1.00 0.00 N ATOM 50 CA CYS A 192 13.905 2.205 1.098 1.00 0.00 C ATOM 51 C CYS A 192 14.943 2.110 2.217 1.00 0.00 C ATOM 52 O CYS A 192 15.617 1.110 2.359 1.00 0.00 O ATOM 53 CB CYS A 192 13.838 0.870 0.353 1.00 0.00 C ATOM 54 SG CYS A 192 12.303 0.789 -0.604 1.00 0.00 S ATOM 0 H CYS A 192 15.305 3.347 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 192 12.930 2.437 1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 192 14.698 0.767 -0.309 1.00 0.00 H new ATOM 0 HB3 CYS A 192 13.881 0.043 1.062 1.00 0.00 H new ATOM 59 N PRO A 193 15.073 3.145 3.003 1.00 0.00 N ATOM 60 CA PRO A 193 16.051 3.185 4.129 1.00 0.00 C ATOM 61 C PRO A 193 15.650 2.265 5.285 1.00 0.00 C ATOM 62 O PRO A 193 16.487 1.684 5.946 1.00 0.00 O ATOM 63 CB PRO A 193 16.030 4.646 4.581 1.00 0.00 C ATOM 64 CG PRO A 193 14.697 5.169 4.160 1.00 0.00 C ATOM 65 CD PRO A 193 14.297 4.392 2.905 1.00 0.00 C ATOM 0 HA PRO A 193 17.036 2.839 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 193 16.161 4.726 5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 193 16.839 5.212 4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 193 13.960 5.032 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 193 14.748 6.238 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 193 13.225 4.195 2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 193 14.540 4.945 1.998 1.00 0.00 H new ATOM 73 N ASN A 194 14.377 2.131 5.536 1.00 0.00 N ATOM 74 CA ASN A 194 13.931 1.252 6.653 1.00 0.00 C ATOM 75 C ASN A 194 13.565 -0.130 6.110 1.00 0.00 C ATOM 76 O ASN A 194 13.529 -1.102 6.838 1.00 0.00 O ATOM 77 CB ASN A 194 12.705 1.868 7.331 1.00 0.00 C ATOM 78 CG ASN A 194 12.491 1.202 8.692 1.00 0.00 C ATOM 79 OD1 ASN A 194 13.230 0.315 9.071 1.00 0.00 O ATOM 80 ND2 ASN A 194 11.504 1.594 9.451 1.00 0.00 N ATOM 0 H ASN A 194 13.628 2.591 5.018 1.00 0.00 H new ATOM 0 HA ASN A 194 14.741 1.155 7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 194 12.846 2.942 7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 194 11.823 1.733 6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 194 11.355 1.156 10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 194 10.882 2.338 9.135 1.00 0.00 H new ATOM 87 N ASN A 195 13.288 -0.227 4.837 1.00 0.00 N ATOM 88 CA ASN A 195 12.920 -1.550 4.256 1.00 0.00 C ATOM 89 C ASN A 195 14.142 -2.194 3.592 1.00 0.00 C ATOM 90 O ASN A 195 14.045 -3.240 2.985 1.00 0.00 O ATOM 91 CB ASN A 195 11.812 -1.356 3.218 1.00 0.00 C ATOM 92 CG ASN A 195 10.572 -0.772 3.898 1.00 0.00 C ATOM 93 OD1 ASN A 195 10.329 -1.020 5.063 1.00 0.00 O ATOM 94 ND2 ASN A 195 9.769 -0.002 3.216 1.00 0.00 N ATOM 0 H ASN A 195 13.301 0.550 4.177 1.00 0.00 H new ATOM 0 HA ASN A 195 12.567 -2.205 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 195 12.154 -0.689 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 195 11.568 -2.309 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 195 8.939 0.391 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 195 9.971 0.207 2.238 1.00 0.00 H new ATOM 101 N CYS A 196 15.291 -1.582 3.700 1.00 0.00 N ATOM 102 CA CYS A 196 16.509 -2.172 3.070 1.00 0.00 C ATOM 103 C CYS A 196 17.080 -3.259 3.985 1.00 0.00 C ATOM 104 O CYS A 196 17.946 -3.007 4.798 1.00 0.00 O ATOM 105 CB CYS A 196 17.561 -1.081 2.860 1.00 0.00 C ATOM 106 SG CYS A 196 17.863 -0.866 1.088 1.00 0.00 S ATOM 0 H CYS A 196 15.439 -0.703 4.195 1.00 0.00 H new ATOM 0 HA CYS A 196 16.242 -2.607 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 196 17.220 -0.143 3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 196 18.487 -1.351 3.367 1.00 0.00 H new ATOM 111 N GLU A 197 16.603 -4.468 3.861 1.00 0.00 N ATOM 112 CA GLU A 197 17.127 -5.562 4.729 1.00 0.00 C ATOM 113 C GLU A 197 18.572 -5.887 4.334 1.00 0.00 C ATOM 114 O GLU A 197 19.414 -6.142 5.172 1.00 0.00 O ATOM 115 CB GLU A 197 16.259 -6.810 4.565 1.00 0.00 C ATOM 116 CG GLU A 197 16.667 -7.851 5.610 1.00 0.00 C ATOM 117 CD GLU A 197 15.868 -9.137 5.395 1.00 0.00 C ATOM 118 OE1 GLU A 197 16.113 -10.090 6.116 1.00 0.00 O ATOM 119 OE2 GLU A 197 15.024 -9.145 4.515 1.00 0.00 O ATOM 0 H GLU A 197 15.877 -4.745 3.200 1.00 0.00 H new ATOM 0 HA GLU A 197 17.101 -5.238 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 197 15.206 -6.553 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 197 16.377 -7.220 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 197 17.735 -8.058 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 197 16.488 -7.463 6.613 1.00 0.00 H new ATOM 127 N ASN A 198 18.860 -5.878 3.062 1.00 0.00 N ATOM 128 CA ASN A 198 20.246 -6.184 2.599 1.00 0.00 C ATOM 129 C ASN A 198 20.501 -5.449 1.285 1.00 0.00 C ATOM 130 O ASN A 198 21.157 -5.951 0.394 1.00 0.00 O ATOM 131 CB ASN A 198 20.394 -7.694 2.386 1.00 0.00 C ATOM 132 CG ASN A 198 19.612 -8.118 1.141 1.00 0.00 C ATOM 133 OD1 ASN A 198 18.818 -7.359 0.620 1.00 0.00 O ATOM 134 ND2 ASN A 198 19.803 -9.309 0.639 1.00 0.00 N ATOM 0 H ASN A 198 18.193 -5.671 2.319 1.00 0.00 H new ATOM 0 HA ASN A 198 20.968 -5.859 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 198 21.447 -7.954 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 198 20.026 -8.232 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 198 19.286 -9.602 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 198 20.469 -9.946 1.076 1.00 0.00 H new ATOM 141 N GLY A 199 19.964 -4.268 1.154 1.00 0.00 N ATOM 142 CA GLY A 199 20.142 -3.496 -0.105 1.00 0.00 C ATOM 143 C GLY A 199 18.882 -3.671 -0.948 1.00 0.00 C ATOM 144 O GLY A 199 18.687 -3.016 -1.954 1.00 0.00 O ATOM 0 H GLY A 199 19.406 -3.803 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 199 20.310 -2.442 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 199 21.017 -3.851 -0.649 1.00 0.00 H new ATOM 148 N LEU A 200 18.020 -4.556 -0.529 1.00 0.00 N ATOM 149 CA LEU A 200 16.759 -4.801 -1.273 1.00 0.00 C ATOM 150 C LEU A 200 15.580 -4.252 -0.469 1.00 0.00 C ATOM 151 O LEU A 200 15.537 -4.358 0.741 1.00 0.00 O ATOM 152 CB LEU A 200 16.584 -6.306 -1.471 1.00 0.00 C ATOM 153 CG LEU A 200 17.789 -6.864 -2.232 1.00 0.00 C ATOM 154 CD1 LEU A 200 17.573 -8.351 -2.518 1.00 0.00 C ATOM 155 CD2 LEU A 200 17.945 -6.113 -3.555 1.00 0.00 C ATOM 0 H LEU A 200 18.140 -5.126 0.309 1.00 0.00 H new ATOM 0 HA LEU A 200 16.798 -4.303 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 200 16.489 -6.802 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 200 15.666 -6.507 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 200 18.688 -6.737 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 200 18.432 -8.746 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 200 17.458 -8.890 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 200 16.674 -8.479 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 200 18.803 -6.509 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 200 17.044 -6.242 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 200 18.100 -5.053 -3.355 1.00 0.00 H new ATOM 167 N CYS A 201 14.620 -3.667 -1.129 1.00 0.00 N ATOM 168 CA CYS A 201 13.446 -3.115 -0.398 1.00 0.00 C ATOM 169 C CYS A 201 12.516 -4.261 0.001 1.00 0.00 C ATOM 170 O CYS A 201 12.366 -5.231 -0.715 1.00 0.00 O ATOM 171 CB CYS A 201 12.697 -2.132 -1.301 1.00 0.00 C ATOM 172 SG CYS A 201 11.621 -1.086 -0.288 1.00 0.00 S ATOM 0 H CYS A 201 14.598 -3.547 -2.142 1.00 0.00 H new ATOM 0 HA CYS A 201 13.784 -2.593 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 201 13.406 -1.516 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 201 12.106 -2.676 -2.038 1.00 0.00 H new ATOM 177 N THR A 202 11.898 -4.161 1.146 1.00 0.00 N ATOM 178 CA THR A 202 10.986 -5.248 1.604 1.00 0.00 C ATOM 179 C THR A 202 9.528 -4.845 1.370 1.00 0.00 C ATOM 180 O THR A 202 8.627 -5.364 1.997 1.00 0.00 O ATOM 181 CB THR A 202 11.206 -5.498 3.097 1.00 0.00 C ATOM 182 OG1 THR A 202 10.857 -4.330 3.827 1.00 0.00 O ATOM 183 CG2 THR A 202 12.674 -5.840 3.351 1.00 0.00 C ATOM 0 H THR A 202 11.985 -3.371 1.786 1.00 0.00 H new ATOM 0 HA THR A 202 11.202 -6.155 1.039 1.00 0.00 H new ATOM 0 HB THR A 202 10.582 -6.331 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 202 10.996 -4.489 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 202 12.827 -6.017 4.415 1.00 0.00 H new ATOM 0 HG22 THR A 202 12.941 -6.737 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 202 13.302 -5.010 3.027 1.00 0.00 H new ATOM 191 N ASN A 203 9.284 -3.924 0.479 1.00 0.00 N ATOM 192 CA ASN A 203 7.878 -3.498 0.224 1.00 0.00 C ATOM 193 C ASN A 203 7.017 -4.731 -0.063 1.00 0.00 C ATOM 194 O ASN A 203 5.861 -4.792 0.304 1.00 0.00 O ATOM 195 CB ASN A 203 7.839 -2.569 -0.990 1.00 0.00 C ATOM 196 CG ASN A 203 8.710 -1.341 -0.728 1.00 0.00 C ATOM 197 OD1 ASN A 203 8.777 -0.855 0.383 1.00 0.00 O ATOM 198 ND2 ASN A 203 9.387 -0.815 -1.714 1.00 0.00 N ATOM 0 H ASN A 203 9.993 -3.450 -0.081 1.00 0.00 H new ATOM 0 HA ASN A 203 7.494 -2.975 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 203 8.194 -3.097 -1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 203 6.813 -2.262 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 203 9.972 0.004 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 203 9.330 -1.224 -2.647 1.00 0.00 H new ATOM 239 N PHE A 207 2.037 -3.183 -5.777 1.00 0.00 N ATOM 240 CA PHE A 207 1.724 -1.775 -6.157 1.00 0.00 C ATOM 241 C PHE A 207 2.297 -0.814 -5.116 1.00 0.00 C ATOM 242 O PHE A 207 2.471 -1.159 -3.967 1.00 0.00 O ATOM 243 CB PHE A 207 0.209 -1.598 -6.217 1.00 0.00 C ATOM 244 CG PHE A 207 -0.450 -2.953 -6.217 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.272 -3.818 -7.303 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.234 -3.347 -5.130 1.00 0.00 C ATOM 247 CE1 PHE A 207 -0.882 -5.078 -7.299 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.844 -4.604 -5.125 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.669 -5.471 -6.210 1.00 0.00 C ATOM 0 HA PHE A 207 2.166 -1.559 -7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 207 -0.135 -1.014 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 207 -0.069 -1.045 -7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.335 -3.514 -8.143 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.369 -2.679 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.745 -5.747 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.450 -4.907 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.141 -6.442 -6.207 1.00 0.00 H new ATOM 259 N GLU A 208 2.584 0.395 -5.509 1.00 0.00 N ATOM 260 CA GLU A 208 3.134 1.382 -4.538 1.00 0.00 C ATOM 261 C GLU A 208 2.297 2.661 -4.596 1.00 0.00 C ATOM 262 O GLU A 208 1.868 3.081 -5.652 1.00 0.00 O ATOM 263 CB GLU A 208 4.583 1.707 -4.895 1.00 0.00 C ATOM 264 CG GLU A 208 5.175 2.606 -3.809 1.00 0.00 C ATOM 265 CD GLU A 208 6.592 3.022 -4.202 1.00 0.00 C ATOM 266 OE1 GLU A 208 7.215 3.732 -3.429 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.031 2.624 -5.267 1.00 0.00 O ATOM 0 H GLU A 208 2.462 0.743 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 208 3.099 0.961 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 208 5.164 0.789 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.629 2.206 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.551 3.489 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.192 2.078 -2.855 1.00 0.00 H new ATOM 275 N ASP A 209 2.058 3.288 -3.475 1.00 0.00 N ATOM 276 CA ASP A 209 1.246 4.534 -3.494 1.00 0.00 C ATOM 277 C ASP A 209 1.997 5.603 -4.277 1.00 0.00 C ATOM 278 O ASP A 209 2.973 6.159 -3.817 1.00 0.00 O ATOM 279 CB ASP A 209 1.013 5.024 -2.065 1.00 0.00 C ATOM 280 CG ASP A 209 0.224 3.970 -1.288 1.00 0.00 C ATOM 281 OD1 ASP A 209 0.461 3.837 -0.098 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.607 3.317 -1.895 1.00 0.00 O ATOM 0 H ASP A 209 2.388 2.993 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 209 0.284 4.333 -3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.967 5.214 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.467 5.967 -2.077 1.00 0.00 H new ATOM 288 N LEU A 210 1.546 5.891 -5.460 1.00 0.00 N ATOM 289 CA LEU A 210 2.220 6.921 -6.288 1.00 0.00 C ATOM 290 C LEU A 210 2.085 8.288 -5.606 1.00 0.00 C ATOM 291 O LEU A 210 2.895 9.172 -5.805 1.00 0.00 O ATOM 292 CB LEU A 210 1.570 6.940 -7.672 1.00 0.00 C ATOM 293 CG LEU A 210 1.723 5.560 -8.319 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.126 5.581 -9.727 1.00 0.00 C ATOM 295 CD2 LEU A 210 3.207 5.198 -8.409 1.00 0.00 C ATOM 0 H LEU A 210 0.733 5.453 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 210 3.280 6.691 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.515 7.201 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 210 2.038 7.701 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 210 1.200 4.821 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 210 1.237 4.598 -10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 210 0.068 5.837 -9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.647 6.323 -10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.315 4.216 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.727 5.941 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 210 3.638 5.179 -7.408 1.00 0.00 H new ATOM 307 N LEU A 211 1.070 8.463 -4.799 1.00 0.00 N ATOM 308 CA LEU A 211 0.884 9.772 -4.098 1.00 0.00 C ATOM 309 C LEU A 211 1.075 9.589 -2.589 1.00 0.00 C ATOM 310 O LEU A 211 0.765 8.553 -2.035 1.00 0.00 O ATOM 311 CB LEU A 211 -0.526 10.305 -4.361 1.00 0.00 C ATOM 312 CG LEU A 211 -0.729 10.506 -5.861 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.128 11.069 -6.114 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.315 11.492 -6.388 1.00 0.00 C ATOM 0 H LEU A 211 0.362 7.758 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 211 1.621 10.480 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.267 9.606 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.673 11.248 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.621 9.550 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.274 11.213 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.875 10.371 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.234 12.025 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.171 11.636 -7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.205 12.447 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.314 11.096 -6.206 1.00 0.00 H new ATOM 326 N SER A 212 1.578 10.593 -1.918 1.00 0.00 N ATOM 327 CA SER A 212 1.779 10.479 -0.444 1.00 0.00 C ATOM 328 C SER A 212 0.487 10.861 0.281 1.00 0.00 C ATOM 329 O SER A 212 0.410 10.822 1.492 1.00 0.00 O ATOM 330 CB SER A 212 2.906 11.411 -0.007 1.00 0.00 C ATOM 331 OG SER A 212 4.148 10.891 -0.464 1.00 0.00 O ATOM 0 H SER A 212 1.857 11.485 -2.327 1.00 0.00 H new ATOM 0 HA SER A 212 2.043 9.451 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 212 2.745 12.410 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 212 2.915 11.505 1.079 1.00 0.00 H new ATOM 0 HG SER A 212 4.874 11.488 -0.187 1.00 0.00 H new ATOM 337 N ASN A 213 -0.532 11.219 -0.450 1.00 0.00 N ATOM 338 CA ASN A 213 -1.822 11.588 0.195 1.00 0.00 C ATOM 339 C ASN A 213 -2.841 10.482 -0.071 1.00 0.00 C ATOM 340 O ASN A 213 -4.031 10.667 0.075 1.00 0.00 O ATOM 341 CB ASN A 213 -2.332 12.909 -0.388 1.00 0.00 C ATOM 342 CG ASN A 213 -1.418 14.052 0.056 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.598 13.881 0.937 1.00 0.00 O ATOM 344 ND2 ASN A 213 -1.527 15.219 -0.516 1.00 0.00 N ATOM 0 H ASN A 213 -0.526 11.272 -1.469 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.677 11.707 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.358 12.852 -1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.353 13.095 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -0.924 15.988 -0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -2.215 15.362 -1.255 1.00 0.00 H new ATOM 351 N CYS A 214 -2.377 9.332 -0.472 1.00 0.00 N ATOM 352 CA CYS A 214 -3.310 8.210 -0.765 1.00 0.00 C ATOM 353 C CYS A 214 -4.187 7.917 0.450 1.00 0.00 C ATOM 354 O CYS A 214 -5.392 7.807 0.338 1.00 0.00 O ATOM 355 CB CYS A 214 -2.499 6.970 -1.126 1.00 0.00 C ATOM 356 SG CYS A 214 -2.095 7.037 -2.884 1.00 0.00 S ATOM 0 H CYS A 214 -1.389 9.120 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.955 8.487 -1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.587 6.927 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.068 6.068 -0.903 1.00 0.00 H new ATOM 361 N GLU A 215 -3.609 7.802 1.611 1.00 0.00 N ATOM 362 CA GLU A 215 -4.449 7.530 2.808 1.00 0.00 C ATOM 363 C GLU A 215 -5.455 8.667 2.944 1.00 0.00 C ATOM 364 O GLU A 215 -6.600 8.470 3.298 1.00 0.00 O ATOM 365 CB GLU A 215 -3.573 7.467 4.059 1.00 0.00 C ATOM 366 CG GLU A 215 -4.414 6.979 5.239 1.00 0.00 C ATOM 367 CD GLU A 215 -4.833 5.530 4.994 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.153 4.857 4.237 1.00 0.00 O ATOM 369 OE2 GLU A 215 -5.829 5.117 5.566 1.00 0.00 O ATOM 0 H GLU A 215 -2.607 7.883 1.782 1.00 0.00 H new ATOM 0 HA GLU A 215 -4.963 6.575 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.731 6.794 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.157 8.451 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -3.842 7.053 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -5.295 7.609 5.358 1.00 0.00 H new ATOM 377 N SER A 216 -5.026 9.862 2.645 1.00 0.00 N ATOM 378 CA SER A 216 -5.939 11.031 2.731 1.00 0.00 C ATOM 379 C SER A 216 -7.027 10.909 1.660 1.00 0.00 C ATOM 380 O SER A 216 -8.183 11.200 1.896 1.00 0.00 O ATOM 381 CB SER A 216 -5.133 12.309 2.498 1.00 0.00 C ATOM 382 OG SER A 216 -4.157 12.438 3.522 1.00 0.00 O ATOM 0 H SER A 216 -4.076 10.078 2.343 1.00 0.00 H new ATOM 0 HA SER A 216 -6.406 11.064 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.651 12.276 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.794 13.175 2.498 1.00 0.00 H new ATOM 0 HG SER A 216 -3.636 13.255 3.376 1.00 0.00 H new ATOM 388 N LEU A 217 -6.660 10.484 0.480 1.00 0.00 N ATOM 389 CA LEU A 217 -7.665 10.346 -0.613 1.00 0.00 C ATOM 390 C LEU A 217 -8.624 9.194 -0.315 1.00 0.00 C ATOM 391 O LEU A 217 -9.781 9.237 -0.675 1.00 0.00 O ATOM 392 CB LEU A 217 -6.946 10.086 -1.938 1.00 0.00 C ATOM 393 CG LEU A 217 -6.087 11.300 -2.297 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.364 11.044 -3.620 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.982 12.533 -2.438 1.00 0.00 C ATOM 0 H LEU A 217 -5.706 10.226 0.226 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.239 11.270 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.322 9.196 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.673 9.895 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.353 11.469 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.753 11.910 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.726 10.166 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -6.097 10.874 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -6.371 13.399 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.716 12.362 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.497 12.718 -1.496 1.00 0.00 H new ATOM 407 N LYS A 218 -8.162 8.162 0.331 1.00 0.00 N ATOM 408 CA LYS A 218 -9.072 7.022 0.628 1.00 0.00 C ATOM 409 C LYS A 218 -10.300 7.546 1.372 1.00 0.00 C ATOM 410 O LYS A 218 -11.424 7.218 1.047 1.00 0.00 O ATOM 411 CB LYS A 218 -8.348 6.007 1.505 1.00 0.00 C ATOM 412 CG LYS A 218 -8.912 4.607 1.245 1.00 0.00 C ATOM 413 CD LYS A 218 -9.359 3.988 2.566 1.00 0.00 C ATOM 414 CE LYS A 218 -8.208 4.046 3.569 1.00 0.00 C ATOM 415 NZ LYS A 218 -7.992 2.692 4.155 1.00 0.00 N ATOM 0 H LYS A 218 -7.203 8.058 0.664 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.377 6.544 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.279 6.025 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.468 6.269 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.753 4.664 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.155 3.980 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.224 4.524 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -9.668 2.954 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -7.299 4.390 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -8.434 4.764 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -7.209 2.730 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -8.858 2.381 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -7.758 2.019 3.397 1.00 0.00 H new ATOM 429 N THR A 219 -10.091 8.359 2.368 1.00 0.00 N ATOM 430 CA THR A 219 -11.241 8.912 3.139 1.00 0.00 C ATOM 431 C THR A 219 -12.052 9.877 2.269 1.00 0.00 C ATOM 432 O THR A 219 -13.257 9.972 2.397 1.00 0.00 O ATOM 433 CB THR A 219 -10.721 9.658 4.370 1.00 0.00 C ATOM 434 OG1 THR A 219 -10.035 8.747 5.217 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.898 10.280 5.125 1.00 0.00 C ATOM 0 H THR A 219 -9.171 8.666 2.683 1.00 0.00 H new ATOM 0 HA THR A 219 -11.883 8.088 3.449 1.00 0.00 H new ATOM 0 HB THR A 219 -10.037 10.447 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.699 9.223 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.528 10.811 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.421 10.978 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.584 9.494 5.440 1.00 0.00 H new ATOM 443 N SER A 220 -11.408 10.611 1.403 1.00 0.00 N ATOM 444 CA SER A 220 -12.158 11.582 0.555 1.00 0.00 C ATOM 445 C SER A 220 -12.600 10.923 -0.757 1.00 0.00 C ATOM 446 O SER A 220 -13.634 11.254 -1.303 1.00 0.00 O ATOM 447 CB SER A 220 -11.258 12.777 0.242 1.00 0.00 C ATOM 448 OG SER A 220 -12.064 13.895 -0.104 1.00 0.00 O ATOM 0 H SER A 220 -10.401 10.581 1.246 1.00 0.00 H new ATOM 0 HA SER A 220 -13.044 11.912 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.637 13.015 1.106 1.00 0.00 H new ATOM 0 HB3 SER A 220 -10.583 12.533 -0.578 1.00 0.00 H new ATOM 0 HG SER A 220 -11.489 14.663 -0.304 1.00 0.00 H new ATOM 454 N ALA A 221 -11.833 10.002 -1.271 1.00 0.00 N ATOM 455 CA ALA A 221 -12.225 9.341 -2.549 1.00 0.00 C ATOM 456 C ALA A 221 -12.711 7.917 -2.263 1.00 0.00 C ATOM 457 O ALA A 221 -13.877 7.611 -2.411 1.00 0.00 O ATOM 458 CB ALA A 221 -11.022 9.294 -3.491 1.00 0.00 C ATOM 0 H ALA A 221 -10.955 9.679 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.029 9.909 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.310 8.811 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -10.682 10.309 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.216 8.729 -3.023 1.00 0.00 H new ATOM 464 N GLY A 222 -11.828 7.047 -1.851 1.00 0.00 N ATOM 465 CA GLY A 222 -12.243 5.645 -1.553 1.00 0.00 C ATOM 466 C GLY A 222 -11.421 4.671 -2.400 1.00 0.00 C ATOM 467 O GLY A 222 -11.023 4.976 -3.506 1.00 0.00 O ATOM 0 H GLY A 222 -10.838 7.246 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.100 5.431 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.305 5.518 -1.763 1.00 0.00 H new ATOM 471 N CYS A 223 -11.160 3.503 -1.882 1.00 0.00 N ATOM 472 CA CYS A 223 -10.357 2.504 -2.644 1.00 0.00 C ATOM 473 C CYS A 223 -11.072 2.136 -3.945 1.00 0.00 C ATOM 474 O CYS A 223 -10.459 2.023 -4.987 1.00 0.00 O ATOM 475 CB CYS A 223 -10.190 1.247 -1.792 1.00 0.00 C ATOM 476 SG CYS A 223 -9.345 1.670 -0.248 1.00 0.00 S ATOM 0 H CYS A 223 -11.469 3.196 -0.960 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.383 2.931 -2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -11.165 0.809 -1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.617 0.498 -2.339 1.00 0.00 H new ATOM 481 N LYS A 224 -12.363 1.942 -3.896 1.00 0.00 N ATOM 482 CA LYS A 224 -13.100 1.575 -5.135 1.00 0.00 C ATOM 483 C LYS A 224 -12.893 2.660 -6.186 1.00 0.00 C ATOM 484 O LYS A 224 -12.898 2.396 -7.372 1.00 0.00 O ATOM 485 CB LYS A 224 -14.592 1.427 -4.840 1.00 0.00 C ATOM 486 CG LYS A 224 -15.287 0.849 -6.076 1.00 0.00 C ATOM 487 CD LYS A 224 -16.758 0.569 -5.767 1.00 0.00 C ATOM 488 CE LYS A 224 -17.563 1.867 -5.855 1.00 0.00 C ATOM 489 NZ LYS A 224 -18.685 1.820 -4.878 1.00 0.00 N ATOM 0 H LYS A 224 -12.935 2.022 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 224 -12.719 0.624 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.743 0.772 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -15.023 2.395 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -15.209 1.549 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -14.791 -0.071 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -17.154 -0.163 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -16.854 0.138 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -16.920 2.722 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -17.951 2.000 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -19.233 2.702 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -19.303 1.013 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -18.304 1.713 -3.916 1.00 0.00 H new ATOM 503 N HIS A 225 -12.709 3.879 -5.766 1.00 0.00 N ATOM 504 CA HIS A 225 -12.500 4.962 -6.759 1.00 0.00 C ATOM 505 C HIS A 225 -11.377 4.538 -7.705 1.00 0.00 C ATOM 506 O HIS A 225 -10.306 4.158 -7.276 1.00 0.00 O ATOM 507 CB HIS A 225 -12.115 6.259 -6.043 1.00 0.00 C ATOM 508 CG HIS A 225 -12.115 7.381 -7.042 1.00 0.00 C ATOM 509 ND1 HIS A 225 -11.836 7.167 -8.383 1.00 0.00 N ATOM 510 CD2 HIS A 225 -12.374 8.724 -6.920 1.00 0.00 C ATOM 511 CE1 HIS A 225 -11.938 8.349 -9.011 1.00 0.00 C ATOM 512 NE2 HIS A 225 -12.262 9.329 -8.167 1.00 0.00 N ATOM 0 H HIS A 225 -12.695 4.169 -4.788 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.418 5.135 -7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.820 6.470 -5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.130 6.160 -5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -12.625 9.231 -6.000 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -11.777 8.489 -10.070 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -12.399 10.315 -8.389 1.00 0.00 H new ATOM 521 N GLU A 226 -11.616 4.582 -8.985 1.00 0.00 N ATOM 522 CA GLU A 226 -10.566 4.161 -9.954 1.00 0.00 C ATOM 523 C GLU A 226 -9.290 4.971 -9.727 1.00 0.00 C ATOM 524 O GLU A 226 -8.193 4.482 -9.918 1.00 0.00 O ATOM 525 CB GLU A 226 -11.065 4.396 -11.382 1.00 0.00 C ATOM 526 CG GLU A 226 -12.273 3.500 -11.661 1.00 0.00 C ATOM 527 CD GLU A 226 -11.861 2.033 -11.546 1.00 0.00 C ATOM 528 OE1 GLU A 226 -10.680 1.758 -11.680 1.00 0.00 O ATOM 529 OE2 GLU A 226 -12.734 1.209 -11.324 1.00 0.00 O ATOM 0 H GLU A 226 -12.493 4.891 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.351 3.102 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -11.339 5.443 -11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -10.269 4.182 -12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -13.073 3.720 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -12.665 3.701 -12.658 1.00 0.00 H new ATOM 537 N LEU A 227 -9.416 6.205 -9.330 1.00 0.00 N ATOM 538 CA LEU A 227 -8.202 7.037 -9.106 1.00 0.00 C ATOM 539 C LEU A 227 -7.278 6.367 -8.086 1.00 0.00 C ATOM 540 O LEU A 227 -6.084 6.293 -8.289 1.00 0.00 O ATOM 541 CB LEU A 227 -8.622 8.422 -8.612 1.00 0.00 C ATOM 542 CG LEU A 227 -9.049 9.260 -9.818 1.00 0.00 C ATOM 543 CD1 LEU A 227 -9.809 10.499 -9.346 1.00 0.00 C ATOM 544 CD2 LEU A 227 -7.806 9.693 -10.604 1.00 0.00 C ATOM 0 H LEU A 227 -10.304 6.673 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 227 -7.658 7.139 -10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.443 8.337 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -7.796 8.904 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 227 -9.698 8.663 -10.458 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.110 11.092 -10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -10.695 10.192 -8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -9.165 11.098 -8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.109 10.290 -11.464 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -7.157 10.287 -9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -7.267 8.810 -10.947 1.00 0.00 H new ATOM 556 N LEU A 228 -7.805 5.862 -7.003 1.00 0.00 N ATOM 557 CA LEU A 228 -6.928 5.188 -6.004 1.00 0.00 C ATOM 558 C LEU A 228 -6.396 3.894 -6.601 1.00 0.00 C ATOM 559 O LEU A 228 -5.320 3.435 -6.270 1.00 0.00 O ATOM 560 CB LEU A 228 -7.713 4.885 -4.724 1.00 0.00 C ATOM 561 CG LEU A 228 -7.731 6.128 -3.830 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.815 7.089 -4.312 1.00 0.00 C ATOM 563 CD2 LEU A 228 -8.016 5.719 -2.386 1.00 0.00 C ATOM 0 H LEU A 228 -8.797 5.887 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.097 5.847 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.732 4.587 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.256 4.049 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.760 6.622 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.827 7.973 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.608 7.385 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.786 6.595 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -8.028 6.606 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.985 5.222 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -7.239 5.037 -2.041 1.00 0.00 H new ATOM 575 N LYS A 229 -7.153 3.300 -7.470 1.00 0.00 N ATOM 576 CA LYS A 229 -6.722 2.029 -8.096 1.00 0.00 C ATOM 577 C LYS A 229 -5.575 2.274 -9.083 1.00 0.00 C ATOM 578 O LYS A 229 -5.040 1.345 -9.653 1.00 0.00 O ATOM 579 CB LYS A 229 -7.910 1.407 -8.832 1.00 0.00 C ATOM 580 CG LYS A 229 -9.060 1.174 -7.849 1.00 0.00 C ATOM 581 CD LYS A 229 -8.664 0.095 -6.836 1.00 0.00 C ATOM 582 CE LYS A 229 -9.900 -0.343 -6.052 1.00 0.00 C ATOM 583 NZ LYS A 229 -10.149 -1.793 -6.283 1.00 0.00 N ATOM 0 H LYS A 229 -8.063 3.645 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.368 1.352 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.235 2.064 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.613 0.463 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -9.301 2.102 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -9.956 0.868 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -8.225 -0.759 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -7.906 0.481 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.755 -0.153 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.767 0.240 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -11.153 -2.004 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -9.906 -2.035 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -9.562 -2.354 -5.633 1.00 0.00 H new ATOM 597 N THR A 230 -5.197 3.509 -9.312 1.00 0.00 N ATOM 598 CA THR A 230 -4.091 3.755 -10.287 1.00 0.00 C ATOM 599 C THR A 230 -2.886 4.430 -9.612 1.00 0.00 C ATOM 600 O THR A 230 -1.784 4.380 -10.124 1.00 0.00 O ATOM 601 CB THR A 230 -4.615 4.599 -11.457 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.887 4.271 -12.632 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.460 6.091 -11.167 1.00 0.00 C ATOM 0 H THR A 230 -5.597 4.340 -8.876 1.00 0.00 H new ATOM 0 HA THR A 230 -3.745 2.795 -10.670 1.00 0.00 H new ATOM 0 HB THR A 230 -5.674 4.382 -11.596 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.219 4.806 -13.383 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.839 6.667 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.024 6.348 -10.270 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.407 6.324 -11.012 1.00 0.00 H new ATOM 611 N LYS A 231 -3.060 5.039 -8.468 1.00 0.00 N ATOM 612 CA LYS A 231 -1.888 5.676 -7.784 1.00 0.00 C ATOM 613 C LYS A 231 -1.922 5.331 -6.291 1.00 0.00 C ATOM 614 O LYS A 231 -0.979 5.579 -5.565 1.00 0.00 O ATOM 615 CB LYS A 231 -1.913 7.201 -7.962 1.00 0.00 C ATOM 616 CG LYS A 231 -3.339 7.686 -8.163 1.00 0.00 C ATOM 617 CD LYS A 231 -4.145 7.358 -6.918 1.00 0.00 C ATOM 618 CE LYS A 231 -5.350 8.296 -6.839 1.00 0.00 C ATOM 619 NZ LYS A 231 -4.964 9.524 -6.094 1.00 0.00 N ATOM 0 H LYS A 231 -3.951 5.124 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.972 5.293 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.478 7.683 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.301 7.484 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.350 8.760 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.781 7.207 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.478 6.320 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.524 7.468 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.690 8.556 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -6.181 7.799 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.819 10.000 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.356 9.266 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.446 10.166 -6.728 1.00 0.00 H new ATOM 633 N CYS A 232 -3.000 4.749 -5.831 1.00 0.00 N ATOM 634 CA CYS A 232 -3.095 4.371 -4.388 1.00 0.00 C ATOM 635 C CYS A 232 -3.344 2.871 -4.278 1.00 0.00 C ATOM 636 O CYS A 232 -3.759 2.370 -3.253 1.00 0.00 O ATOM 637 CB CYS A 232 -4.249 5.120 -3.728 1.00 0.00 C ATOM 638 SG CYS A 232 -3.902 6.891 -3.769 1.00 0.00 S ATOM 0 H CYS A 232 -3.820 4.519 -6.393 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.163 4.632 -3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.182 4.907 -4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.375 4.785 -2.698 1.00 0.00 H new ATOM 643 N GLN A 233 -3.095 2.153 -5.332 1.00 0.00 N ATOM 644 CA GLN A 233 -3.317 0.681 -5.302 1.00 0.00 C ATOM 645 C GLN A 233 -2.627 0.091 -4.074 1.00 0.00 C ATOM 646 O GLN A 233 -3.124 -0.822 -3.448 1.00 0.00 O ATOM 647 CB GLN A 233 -2.716 0.070 -6.570 1.00 0.00 C ATOM 648 CG GLN A 233 -3.464 0.606 -7.791 1.00 0.00 C ATOM 649 CD GLN A 233 -2.851 0.033 -9.069 1.00 0.00 C ATOM 650 OE1 GLN A 233 -2.517 0.845 -10.036 1.00 0.00 O flip ATOM 651 NE2 GLN A 233 -2.673 -1.163 -9.190 1.00 0.00 N flip ATOM 0 H GLN A 233 -2.746 2.521 -6.217 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.384 0.463 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.657 0.317 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.788 -1.017 -6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.518 0.336 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.414 1.695 -7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -2.934 -1.796 -8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.262 -1.533 -10.047 1.00 0.00 H new ATOM 660 N ALA A 234 -1.485 0.606 -3.719 1.00 0.00 N ATOM 661 CA ALA A 234 -0.765 0.068 -2.533 1.00 0.00 C ATOM 662 C ALA A 234 -1.482 0.483 -1.248 1.00 0.00 C ATOM 663 O ALA A 234 -1.527 -0.254 -0.282 1.00 0.00 O ATOM 664 CB ALA A 234 0.656 0.618 -2.521 1.00 0.00 C ATOM 0 H ALA A 234 -1.019 1.376 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.743 -1.020 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 234 1.190 0.228 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.172 0.314 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.624 1.706 -2.468 1.00 0.00 H new ATOM 670 N THR A 235 -2.036 1.662 -1.222 1.00 0.00 N ATOM 671 CA THR A 235 -2.739 2.128 0.004 1.00 0.00 C ATOM 672 C THR A 235 -3.984 1.275 0.245 1.00 0.00 C ATOM 673 O THR A 235 -4.443 1.136 1.363 1.00 0.00 O ATOM 674 CB THR A 235 -3.141 3.597 -0.169 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.143 4.430 0.403 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.485 3.857 0.517 1.00 0.00 C ATOM 0 H THR A 235 -2.032 2.324 -1.998 1.00 0.00 H new ATOM 0 HA THR A 235 -2.073 2.032 0.862 1.00 0.00 H new ATOM 0 HB THR A 235 -3.237 3.820 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 235 -2.570 5.161 0.896 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.763 4.903 0.389 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.250 3.221 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.400 3.632 1.580 1.00 0.00 H new ATOM 684 N CYS A 236 -4.549 0.717 -0.791 1.00 0.00 N ATOM 685 CA CYS A 236 -5.777 -0.106 -0.608 1.00 0.00 C ATOM 686 C CYS A 236 -5.523 -1.565 -0.995 1.00 0.00 C ATOM 687 O CYS A 236 -5.785 -2.468 -0.227 1.00 0.00 O ATOM 688 CB CYS A 236 -6.885 0.456 -1.494 1.00 0.00 C ATOM 689 SG CYS A 236 -7.446 2.039 -0.825 1.00 0.00 S ATOM 0 H CYS A 236 -4.215 0.795 -1.752 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.067 -0.070 0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.519 0.588 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.717 -0.246 -1.543 1.00 0.00 H new ATOM 694 N LEU A 237 -5.044 -1.807 -2.183 1.00 0.00 N ATOM 695 CA LEU A 237 -4.812 -3.216 -2.614 1.00 0.00 C ATOM 696 C LEU A 237 -3.784 -3.897 -1.700 1.00 0.00 C ATOM 697 O LEU A 237 -3.850 -5.089 -1.470 1.00 0.00 O ATOM 698 CB LEU A 237 -4.339 -3.247 -4.068 1.00 0.00 C ATOM 699 CG LEU A 237 -5.352 -2.526 -4.957 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.927 -2.659 -6.422 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.728 -3.163 -4.770 1.00 0.00 C ATOM 0 H LEU A 237 -4.804 -1.095 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.751 -3.764 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.363 -2.770 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.220 -4.279 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.395 -1.472 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.648 -2.146 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.942 -2.213 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.888 -3.713 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.454 -2.652 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.682 -4.216 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.030 -3.076 -3.726 1.00 0.00 H new