USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 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 Single : A 223 THR OG1 : rot 180:sc=0.000387 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -22:sc= -3.14! USER MOD Single : A 238 LYS NZ :NH3+ -134:sc= 0.155 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -5.18! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.9!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -15:sc= -0.932 USER MOD Single : A 264 GLN :FLIP amide:sc= -0.192 F(o=-0.7,f=-0.19) USER MOD Single : A 265 CYS SG : rot -130:sc= -1.38 USER MOD Single : A 266 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot 180:sc= -0.838 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -3.59 F(o=-4.2!,f=-3.6) USER MOD Single : A 277 LYS NZ :NH3+ -163:sc= -1.08 (180deg=-2.08) USER MOD Single : A 279 THR OG1 : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 214 5.677 1.755 -4.351 1.00 0.00 N ATOM 81 CA ILE A 214 4.858 0.554 -4.462 1.00 0.00 C ATOM 82 C ILE A 214 5.706 -0.651 -4.860 1.00 0.00 C ATOM 83 O ILE A 214 6.642 -0.530 -5.650 1.00 0.00 O ATOM 84 CB ILE A 214 3.723 0.746 -5.490 1.00 0.00 C ATOM 85 CG1 ILE A 214 2.858 1.947 -5.103 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.874 -0.515 -5.598 1.00 0.00 C ATOM 87 CD1 ILE A 214 2.492 2.831 -6.274 1.00 0.00 C ATOM 0 HA ILE A 214 4.418 0.371 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 214 4.168 0.938 -6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 214 1.944 1.588 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.389 2.543 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 214 2.080 -0.358 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.500 -1.349 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.434 -0.742 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.879 3.662 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 214 3.400 3.219 -6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.933 2.250 -7.008 1.00 0.00 H new ATOM 99 N GLY A 215 5.371 -1.811 -4.306 1.00 0.00 N ATOM 100 CA GLY A 215 6.113 -3.019 -4.610 1.00 0.00 C ATOM 101 C GLY A 215 7.326 -3.203 -3.715 1.00 0.00 C ATOM 102 O GLY A 215 8.031 -4.207 -3.816 1.00 0.00 O ATOM 0 H GLY A 215 4.599 -1.936 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.455 -3.881 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.436 -2.990 -5.651 1.00 0.00 H new ATOM 106 N ASP A 216 7.571 -2.233 -2.837 1.00 0.00 N ATOM 107 CA ASP A 216 8.708 -2.297 -1.926 1.00 0.00 C ATOM 108 C ASP A 216 8.300 -2.898 -0.585 1.00 0.00 C ATOM 109 O ASP A 216 7.204 -2.643 -0.087 1.00 0.00 O ATOM 110 CB ASP A 216 9.298 -0.902 -1.714 1.00 0.00 C ATOM 111 CG ASP A 216 10.036 -0.395 -2.936 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.470 -0.472 -4.047 1.00 0.00 O ATOM 113 OD2 ASP A 216 11.182 0.078 -2.784 1.00 0.00 O ATOM 0 H ASP A 216 6.998 -1.395 -2.738 1.00 0.00 H new ATOM 0 HA ASP A 216 9.465 -2.940 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.498 -0.206 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.980 -0.924 -0.864 1.00 0.00 H new ATOM 118 N ARG A 217 9.194 -3.691 -0.003 1.00 0.00 N ATOM 119 CA ARG A 217 8.927 -4.323 1.283 1.00 0.00 C ATOM 120 C ARG A 217 9.083 -3.314 2.415 1.00 0.00 C ATOM 121 O ARG A 217 10.045 -2.547 2.447 1.00 0.00 O ATOM 122 CB ARG A 217 9.873 -5.506 1.502 1.00 0.00 C ATOM 123 CG ARG A 217 9.326 -6.553 2.459 1.00 0.00 C ATOM 124 CD ARG A 217 8.323 -7.467 1.773 1.00 0.00 C ATOM 125 NE ARG A 217 8.954 -8.678 1.253 1.00 0.00 N ATOM 126 CZ ARG A 217 8.284 -9.783 0.931 1.00 0.00 C ATOM 127 NH1 ARG A 217 6.965 -9.833 1.075 1.00 0.00 N ATOM 128 NH2 ARG A 217 8.934 -10.840 0.466 1.00 0.00 N ATOM 0 H ARG A 217 10.107 -3.911 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 217 7.900 -4.689 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.081 -5.977 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.823 -5.135 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.148 -7.148 2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.850 -6.059 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.540 -7.741 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.842 -6.929 0.956 1.00 0.00 H new ATOM 0 HE ARG A 217 9.966 -8.677 1.129 1.00 0.00 H new ATOM 0 HH11 ARG A 217 6.460 -9.023 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 217 6.457 -10.682 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 217 9.947 -10.807 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 217 8.421 -11.686 0.219 1.00 0.00 H new ATOM 142 N VAL A 218 8.127 -3.314 3.335 1.00 0.00 N ATOM 143 CA VAL A 218 8.156 -2.389 4.460 1.00 0.00 C ATOM 144 C VAL A 218 7.402 -2.948 5.659 1.00 0.00 C ATOM 145 O VAL A 218 6.909 -4.076 5.630 1.00 0.00 O ATOM 146 CB VAL A 218 7.536 -1.030 4.077 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.168 -0.491 2.803 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.024 -1.152 3.921 1.00 0.00 C ATOM 0 H VAL A 218 7.324 -3.943 3.324 1.00 0.00 H new ATOM 0 HA VAL A 218 9.204 -2.251 4.726 1.00 0.00 H new ATOM 0 HB VAL A 218 7.738 -0.324 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.716 0.468 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.239 -0.359 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 218 8.002 -1.196 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.607 -0.182 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.796 -1.876 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.587 -1.486 4.862 1.00 0.00 H new ATOM 158 N LEU A 219 7.300 -2.135 6.704 1.00 0.00 N ATOM 159 CA LEU A 219 6.587 -2.526 7.910 1.00 0.00 C ATOM 160 C LEU A 219 5.499 -1.515 8.230 1.00 0.00 C ATOM 161 O LEU A 219 5.778 -0.335 8.427 1.00 0.00 O ATOM 162 CB LEU A 219 7.544 -2.636 9.099 1.00 0.00 C ATOM 163 CG LEU A 219 8.649 -3.681 8.963 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.375 -3.856 10.288 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.076 -5.010 8.489 1.00 0.00 C ATOM 0 H LEU A 219 7.704 -1.199 6.738 1.00 0.00 H new ATOM 0 HA LEU A 219 6.135 -3.502 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.007 -1.663 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 219 6.961 -2.864 9.991 1.00 0.00 H new ATOM 0 HG LEU A 219 9.364 -3.333 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.160 -4.604 10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.818 -2.907 10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.668 -4.183 11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.879 -5.741 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.340 -5.367 9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.598 -4.875 7.519 1.00 0.00 H new ATOM 177 N VAL A 220 4.261 -1.981 8.293 1.00 0.00 N ATOM 178 CA VAL A 220 3.139 -1.105 8.603 1.00 0.00 C ATOM 179 C VAL A 220 2.924 -1.041 10.110 1.00 0.00 C ATOM 180 O VAL A 220 2.540 -2.030 10.736 1.00 0.00 O ATOM 181 CB VAL A 220 1.827 -1.551 7.907 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.255 -0.417 7.067 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.047 -2.791 7.050 1.00 0.00 C ATOM 0 H VAL A 220 4.007 -2.956 8.135 1.00 0.00 H new ATOM 0 HA VAL A 220 3.392 -0.116 8.221 1.00 0.00 H new ATOM 0 HB VAL A 220 1.108 -1.806 8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.335 -0.749 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.042 0.439 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.979 -0.128 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.108 -3.077 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.790 -2.575 6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.401 -3.609 7.678 1.00 0.00 H new ATOM 193 N GLY A 221 3.195 0.125 10.687 1.00 0.00 N ATOM 194 CA GLY A 221 3.044 0.299 12.118 1.00 0.00 C ATOM 195 C GLY A 221 4.287 -0.113 12.888 1.00 0.00 C ATOM 196 O GLY A 221 4.365 0.083 14.101 1.00 0.00 O ATOM 0 H GLY A 221 3.517 0.954 10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.817 1.344 12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.194 -0.289 12.465 1.00 0.00 H new ATOM 200 N GLY A 222 5.263 -0.688 12.184 1.00 0.00 N ATOM 201 CA GLY A 222 6.493 -1.120 12.826 1.00 0.00 C ATOM 202 C GLY A 222 6.424 -2.550 13.323 1.00 0.00 C ATOM 203 O GLY A 222 7.450 -3.219 13.449 1.00 0.00 O ATOM 0 H GLY A 222 5.222 -0.862 11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.319 -1.025 12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.712 -0.459 13.664 1.00 0.00 H new ATOM 207 N THR A 223 5.216 -3.021 13.606 1.00 0.00 N ATOM 208 CA THR A 223 5.020 -4.381 14.093 1.00 0.00 C ATOM 209 C THR A 223 4.571 -5.301 12.966 1.00 0.00 C ATOM 210 O THR A 223 4.829 -6.505 12.993 1.00 0.00 O ATOM 211 CB THR A 223 3.988 -4.392 15.220 1.00 0.00 C ATOM 212 OG1 THR A 223 2.798 -3.735 14.817 1.00 0.00 O ATOM 213 CG2 THR A 223 4.479 -3.719 16.484 1.00 0.00 C ATOM 0 H THR A 223 4.356 -2.481 13.507 1.00 0.00 H new ATOM 0 HA THR A 223 5.972 -4.747 14.477 1.00 0.00 H new ATOM 0 HB THR A 223 3.804 -5.445 15.435 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.149 -3.754 15.551 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.700 -3.761 17.245 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.369 -4.233 16.848 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.723 -2.678 16.271 1.00 0.00 H new ATOM 221 N LYS A 224 3.893 -4.729 11.977 1.00 0.00 N ATOM 222 CA LYS A 224 3.405 -5.501 10.841 1.00 0.00 C ATOM 223 C LYS A 224 4.332 -5.338 9.642 1.00 0.00 C ATOM 224 O LYS A 224 4.931 -4.280 9.450 1.00 0.00 O ATOM 225 CB LYS A 224 1.984 -5.062 10.467 1.00 0.00 C ATOM 226 CG LYS A 224 1.115 -4.692 11.662 1.00 0.00 C ATOM 227 CD LYS A 224 0.448 -5.915 12.269 1.00 0.00 C ATOM 228 CE LYS A 224 1.405 -6.694 13.156 1.00 0.00 C ATOM 229 NZ LYS A 224 0.760 -7.129 14.424 1.00 0.00 N ATOM 0 H LYS A 224 3.669 -3.735 11.939 1.00 0.00 H new ATOM 0 HA LYS A 224 3.386 -6.553 11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.044 -4.205 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.500 -5.867 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.726 -4.197 12.417 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.353 -3.978 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.419 -5.605 12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.081 -6.562 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 224 1.770 -7.568 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.273 -6.075 13.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.447 -7.657 15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.435 -6.294 14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -0.053 -7.741 14.208 1.00 0.00 H new ATOM 243 N ALA A 225 4.451 -6.390 8.838 1.00 0.00 N ATOM 244 CA ALA A 225 5.307 -6.357 7.657 1.00 0.00 C ATOM 245 C ALA A 225 4.503 -6.601 6.391 1.00 0.00 C ATOM 246 O ALA A 225 3.572 -7.405 6.382 1.00 0.00 O ATOM 247 CB ALA A 225 6.420 -7.384 7.776 1.00 0.00 C ATOM 0 H ALA A 225 3.966 -7.275 8.983 1.00 0.00 H new ATOM 0 HA ALA A 225 5.750 -5.363 7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.048 -7.345 6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.024 -7.165 8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 225 5.987 -8.380 7.871 1.00 0.00 H new ATOM 253 N GLY A 226 4.868 -5.905 5.320 1.00 0.00 N ATOM 254 CA GLY A 226 4.165 -6.065 4.064 1.00 0.00 C ATOM 255 C GLY A 226 4.835 -5.330 2.920 1.00 0.00 C ATOM 256 O GLY A 226 5.989 -4.916 3.028 1.00 0.00 O ATOM 0 H GLY A 226 5.637 -5.235 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.101 -7.126 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.144 -5.701 4.175 1.00 0.00 H new ATOM 260 N VAL A 227 4.105 -5.170 1.821 1.00 0.00 N ATOM 261 CA VAL A 227 4.626 -4.485 0.646 1.00 0.00 C ATOM 262 C VAL A 227 3.743 -3.297 0.271 1.00 0.00 C ATOM 263 O VAL A 227 2.520 -3.415 0.221 1.00 0.00 O ATOM 264 CB VAL A 227 4.727 -5.442 -0.560 1.00 0.00 C ATOM 265 CG1 VAL A 227 5.104 -4.688 -1.827 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.728 -6.552 -0.275 1.00 0.00 C ATOM 0 H VAL A 227 3.148 -5.507 1.721 1.00 0.00 H new ATOM 0 HA VAL A 227 5.624 -4.127 0.899 1.00 0.00 H new ATOM 0 HB VAL A 227 3.747 -5.892 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.168 -5.387 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.345 -3.935 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 227 6.069 -4.201 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.787 -7.218 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.709 -6.117 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.406 -7.117 0.600 1.00 0.00 H new ATOM 276 N VAL A 228 4.370 -2.160 -0.005 1.00 0.00 N ATOM 277 CA VAL A 228 3.634 -0.962 -0.384 1.00 0.00 C ATOM 278 C VAL A 228 2.844 -1.202 -1.666 1.00 0.00 C ATOM 279 O VAL A 228 3.374 -1.733 -2.640 1.00 0.00 O ATOM 280 CB VAL A 228 4.579 0.236 -0.587 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.785 1.512 -0.824 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.505 0.389 0.612 1.00 0.00 C ATOM 0 H VAL A 228 5.383 -2.043 0.027 1.00 0.00 H new ATOM 0 HA VAL A 228 2.947 -0.731 0.430 1.00 0.00 H new ATOM 0 HB VAL A 228 5.190 0.050 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.472 2.347 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.167 1.396 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.147 1.709 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.167 1.240 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.912 0.553 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.100 -0.517 0.730 1.00 0.00 H new ATOM 292 N ARG A 229 1.570 -0.825 -1.655 1.00 0.00 N ATOM 293 CA ARG A 229 0.710 -1.017 -2.817 1.00 0.00 C ATOM 294 C ARG A 229 0.150 0.310 -3.323 1.00 0.00 C ATOM 295 O ARG A 229 -0.005 0.508 -4.528 1.00 0.00 O ATOM 296 CB ARG A 229 -0.434 -1.973 -2.471 1.00 0.00 C ATOM 297 CG ARG A 229 0.005 -3.171 -1.643 1.00 0.00 C ATOM 298 CD ARG A 229 1.071 -3.983 -2.361 1.00 0.00 C ATOM 299 NE ARG A 229 0.495 -5.083 -3.129 1.00 0.00 N ATOM 300 CZ ARG A 229 0.084 -4.979 -4.391 1.00 0.00 C ATOM 301 NH1 ARG A 229 0.176 -3.822 -5.036 1.00 0.00 N ATOM 302 NH2 ARG A 229 -0.424 -6.035 -5.011 1.00 0.00 N ATOM 0 H ARG A 229 1.111 -0.386 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 229 1.314 -1.451 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.202 -1.425 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -0.892 -2.328 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.391 -2.829 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.857 -3.805 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.635 -3.331 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.777 -4.380 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 229 0.402 -5.989 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 229 0.564 -3.005 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 229 -0.141 -3.750 -6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 229 -0.500 -6.926 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 229 -0.739 -5.956 -5.978 1.00 0.00 H new ATOM 316 N PHE A 230 -0.152 1.215 -2.399 1.00 0.00 N ATOM 317 CA PHE A 230 -0.694 2.521 -2.759 1.00 0.00 C ATOM 318 C PHE A 230 -0.401 3.545 -1.669 1.00 0.00 C ATOM 319 O PHE A 230 -0.307 3.200 -0.497 1.00 0.00 O ATOM 320 CB PHE A 230 -2.202 2.423 -2.995 1.00 0.00 C ATOM 321 CG PHE A 230 -2.792 3.650 -3.628 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.650 3.881 -4.986 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.489 4.573 -2.864 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.191 5.011 -5.573 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.032 5.703 -3.443 1.00 0.00 C ATOM 326 CZ PHE A 230 -3.884 5.922 -4.799 1.00 0.00 C ATOM 0 H PHE A 230 -0.031 1.069 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.212 2.849 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.407 1.562 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.699 2.241 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.110 3.170 -5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.609 4.406 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.072 5.181 -6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.572 6.415 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.310 6.804 -5.254 1.00 0.00 H new ATOM 336 N LEU A 231 -0.258 4.806 -2.060 1.00 0.00 N ATOM 337 CA LEU A 231 0.023 5.869 -1.099 1.00 0.00 C ATOM 338 C LEU A 231 -0.875 7.076 -1.342 1.00 0.00 C ATOM 339 O LEU A 231 -1.009 7.547 -2.472 1.00 0.00 O ATOM 340 CB LEU A 231 1.494 6.282 -1.175 1.00 0.00 C ATOM 341 CG LEU A 231 2.490 5.123 -1.272 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.246 5.174 -2.589 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.461 5.151 -0.100 1.00 0.00 C ATOM 0 H LEU A 231 -0.331 5.117 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.184 5.484 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.629 6.930 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.735 6.875 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 231 1.930 4.189 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.948 4.342 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.540 5.102 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.792 6.115 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.161 4.320 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.012 6.091 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 231 2.906 5.062 0.834 1.00 0.00 H new ATOM 355 N GLY A 232 -1.489 7.573 -0.273 1.00 0.00 N ATOM 356 CA GLY A 232 -2.368 8.722 -0.389 1.00 0.00 C ATOM 357 C GLY A 232 -3.256 8.894 0.828 1.00 0.00 C ATOM 358 O GLY A 232 -3.111 8.179 1.819 1.00 0.00 O ATOM 0 H GLY A 232 -1.393 7.200 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.769 9.622 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.990 8.612 -1.277 1.00 0.00 H new ATOM 362 N GLU A 233 -4.179 9.849 0.754 1.00 0.00 N ATOM 363 CA GLU A 233 -5.092 10.114 1.859 1.00 0.00 C ATOM 364 C GLU A 233 -6.237 9.106 1.870 1.00 0.00 C ATOM 365 O GLU A 233 -6.490 8.429 0.874 1.00 0.00 O ATOM 366 CB GLU A 233 -5.650 11.535 1.758 1.00 0.00 C ATOM 367 CG GLU A 233 -4.583 12.590 1.514 1.00 0.00 C ATOM 368 CD GLU A 233 -5.169 13.937 1.140 1.00 0.00 C ATOM 369 OE1 GLU A 233 -6.030 14.441 1.893 1.00 0.00 O ATOM 370 OE2 GLU A 233 -4.769 14.488 0.092 1.00 0.00 O ATOM 0 H GLU A 233 -4.313 10.451 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.534 10.016 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.379 11.574 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.182 11.774 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -3.974 12.700 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.920 12.253 0.718 1.00 0.00 H new ATOM 377 N THR A 234 -6.925 9.013 3.003 1.00 0.00 N ATOM 378 CA THR A 234 -8.043 8.087 3.143 1.00 0.00 C ATOM 379 C THR A 234 -9.363 8.842 3.257 1.00 0.00 C ATOM 380 O THR A 234 -9.386 10.030 3.578 1.00 0.00 O ATOM 381 CB THR A 234 -7.845 7.195 4.372 1.00 0.00 C ATOM 382 OG1 THR A 234 -8.000 7.944 5.564 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.484 6.536 4.418 1.00 0.00 C ATOM 0 H THR A 234 -6.728 9.567 3.837 1.00 0.00 H new ATOM 0 HA THR A 234 -8.078 7.462 2.251 1.00 0.00 H new ATOM 0 HB THR A 234 -8.605 6.418 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.846 8.893 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.409 5.918 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.352 5.912 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.709 7.302 4.440 1.00 0.00 H new ATOM 391 N ASP A 235 -10.463 8.144 2.990 1.00 0.00 N ATOM 392 CA ASP A 235 -11.787 8.749 3.060 1.00 0.00 C ATOM 393 C ASP A 235 -12.346 8.709 4.483 1.00 0.00 C ATOM 394 O ASP A 235 -13.419 9.250 4.749 1.00 0.00 O ATOM 395 CB ASP A 235 -12.747 8.033 2.105 1.00 0.00 C ATOM 396 CG ASP A 235 -14.049 8.787 1.921 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.997 10.013 1.691 1.00 0.00 O ATOM 398 OD2 ASP A 235 -15.120 8.150 2.004 1.00 0.00 O ATOM 0 H ASP A 235 -10.463 7.159 2.723 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.691 9.793 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.264 7.906 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -12.959 7.035 2.488 1.00 0.00 H new ATOM 403 N PHE A 236 -11.618 8.067 5.394 1.00 0.00 N ATOM 404 CA PHE A 236 -12.056 7.965 6.782 1.00 0.00 C ATOM 405 C PHE A 236 -11.029 8.578 7.738 1.00 0.00 C ATOM 406 O PHE A 236 -11.341 8.864 8.894 1.00 0.00 O ATOM 407 CB PHE A 236 -12.315 6.500 7.158 1.00 0.00 C ATOM 408 CG PHE A 236 -11.073 5.725 7.509 1.00 0.00 C ATOM 409 CD1 PHE A 236 -10.060 5.545 6.580 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.922 5.179 8.773 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.921 4.835 6.906 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.785 4.467 9.104 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.782 4.296 8.170 1.00 0.00 C ATOM 0 H PHE A 236 -10.727 7.612 5.197 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.985 8.526 6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -13.000 6.470 8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.815 6.006 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.163 5.965 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.702 5.311 9.508 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.139 4.701 6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.681 4.044 10.092 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.891 3.742 8.427 1.00 0.00 H new ATOM 423 N ALA A 237 -9.805 8.774 7.254 1.00 0.00 N ATOM 424 CA ALA A 237 -8.745 9.347 8.074 1.00 0.00 C ATOM 425 C ALA A 237 -8.217 10.642 7.467 1.00 0.00 C ATOM 426 O ALA A 237 -8.024 10.738 6.256 1.00 0.00 O ATOM 427 CB ALA A 237 -7.614 8.344 8.249 1.00 0.00 C ATOM 0 H ALA A 237 -9.525 8.545 6.300 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.164 9.582 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.829 8.785 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.996 7.447 8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.206 8.081 7.273 1.00 0.00 H new ATOM 433 N LYS A 238 -7.984 11.636 8.318 1.00 0.00 N ATOM 434 CA LYS A 238 -7.476 12.926 7.867 1.00 0.00 C ATOM 435 C LYS A 238 -5.954 12.903 7.759 1.00 0.00 C ATOM 436 O LYS A 238 -5.264 12.445 8.670 1.00 0.00 O ATOM 437 CB LYS A 238 -7.916 14.034 8.825 1.00 0.00 C ATOM 438 CG LYS A 238 -7.420 13.838 10.250 1.00 0.00 C ATOM 439 CD LYS A 238 -6.212 14.713 10.545 1.00 0.00 C ATOM 440 CE LYS A 238 -5.550 14.322 11.856 1.00 0.00 C ATOM 441 NZ LYS A 238 -4.509 13.273 11.662 1.00 0.00 N ATOM 0 H LYS A 238 -8.139 11.573 9.324 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.889 13.126 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.553 14.992 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -9.005 14.086 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -8.221 14.074 10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -7.159 12.791 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -5.491 14.627 9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -6.520 15.758 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -5.097 15.203 12.311 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -6.307 13.958 12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -4.625 12.532 12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -4.610 12.855 10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -3.565 13.700 11.753 1.00 0.00 H new ATOM 455 N GLY A 239 -5.438 13.402 6.640 1.00 0.00 N ATOM 456 CA GLY A 239 -4.001 13.429 6.434 1.00 0.00 C ATOM 457 C GLY A 239 -3.553 12.476 5.344 1.00 0.00 C ATOM 458 O GLY A 239 -4.359 12.032 4.527 1.00 0.00 O ATOM 0 H GLY A 239 -5.989 13.788 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.693 14.442 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.499 13.171 7.366 1.00 0.00 H new ATOM 462 N GLU A 240 -2.261 12.160 5.332 1.00 0.00 N ATOM 463 CA GLU A 240 -1.705 11.254 4.334 1.00 0.00 C ATOM 464 C GLU A 240 -1.529 9.852 4.912 1.00 0.00 C ATOM 465 O GLU A 240 -1.125 9.691 6.064 1.00 0.00 O ATOM 466 CB GLU A 240 -0.362 11.781 3.827 1.00 0.00 C ATOM 467 CG GLU A 240 0.594 12.180 4.940 1.00 0.00 C ATOM 468 CD GLU A 240 2.000 12.439 4.434 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.522 11.596 3.675 1.00 0.00 O ATOM 470 OE2 GLU A 240 2.579 13.483 4.798 1.00 0.00 O ATOM 0 H GLU A 240 -1.581 12.518 6.002 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.404 11.200 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.110 11.016 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.539 12.644 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.218 13.076 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.621 11.391 5.691 1.00 0.00 H new ATOM 477 N TRP A 241 -1.837 8.841 4.104 1.00 0.00 N ATOM 478 CA TRP A 241 -1.714 7.454 4.536 1.00 0.00 C ATOM 479 C TRP A 241 -1.074 6.597 3.447 1.00 0.00 C ATOM 480 O TRP A 241 -0.922 7.037 2.309 1.00 0.00 O ATOM 481 CB TRP A 241 -3.087 6.892 4.909 1.00 0.00 C ATOM 482 CG TRP A 241 -3.681 7.540 6.122 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.128 8.825 6.229 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.890 6.933 7.402 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.602 9.056 7.497 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.466 7.910 8.236 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.646 5.660 7.924 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.802 7.651 9.564 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.979 5.405 9.241 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.552 6.395 10.048 1.00 0.00 C ATOM 0 H TRP A 241 -2.173 8.957 3.148 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.069 7.428 5.414 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.766 7.022 4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -2.998 5.820 5.085 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.111 9.554 5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -4.992 9.937 7.834 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.205 4.889 7.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.244 8.414 10.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.794 4.425 9.655 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.802 6.163 11.073 1.00 0.00 H new ATOM 501 N CYS A 242 -0.702 5.373 3.807 1.00 0.00 N ATOM 502 CA CYS A 242 -0.079 4.454 2.860 1.00 0.00 C ATOM 503 C CYS A 242 -0.697 3.062 2.962 1.00 0.00 C ATOM 504 O CYS A 242 -1.257 2.691 3.993 1.00 0.00 O ATOM 505 CB CYS A 242 1.431 4.383 3.109 1.00 0.00 C ATOM 506 SG CYS A 242 2.299 3.166 2.089 1.00 0.00 S ATOM 0 H CYS A 242 -0.821 4.994 4.747 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.255 4.831 1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.864 5.367 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.603 4.148 4.159 1.00 0.00 H new ATOM 0 HG CYS A 242 3.567 3.186 2.374 1.00 0.00 H new ATOM 512 N GLY A 243 -0.589 2.301 1.881 1.00 0.00 N ATOM 513 CA GLY A 243 -1.135 0.958 1.846 1.00 0.00 C ATOM 514 C GLY A 243 -0.057 -0.096 1.708 1.00 0.00 C ATOM 515 O GLY A 243 0.758 -0.041 0.786 1.00 0.00 O ATOM 0 H GLY A 243 -0.128 2.594 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.704 0.776 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.832 0.873 1.012 1.00 0.00 H new ATOM 519 N VAL A 244 -0.045 -1.056 2.625 1.00 0.00 N ATOM 520 CA VAL A 244 0.946 -2.123 2.599 1.00 0.00 C ATOM 521 C VAL A 244 0.281 -3.492 2.699 1.00 0.00 C ATOM 522 O VAL A 244 -0.560 -3.722 3.568 1.00 0.00 O ATOM 523 CB VAL A 244 1.961 -1.980 3.752 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.186 -2.844 3.502 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.363 -0.525 3.949 1.00 0.00 C ATOM 0 H VAL A 244 -0.711 -1.117 3.396 1.00 0.00 H new ATOM 0 HA VAL A 244 1.471 -2.040 1.647 1.00 0.00 H new ATOM 0 HB VAL A 244 1.479 -2.324 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.888 -2.727 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.885 -3.889 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.665 -2.536 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.079 -0.453 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.819 -0.146 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.480 0.068 4.186 1.00 0.00 H new ATOM 535 N GLU A 245 0.673 -4.400 1.813 1.00 0.00 N ATOM 536 CA GLU A 245 0.127 -5.750 1.811 1.00 0.00 C ATOM 537 C GLU A 245 0.884 -6.618 2.804 1.00 0.00 C ATOM 538 O GLU A 245 2.061 -6.919 2.609 1.00 0.00 O ATOM 539 CB GLU A 245 0.210 -6.359 0.410 1.00 0.00 C ATOM 540 CG GLU A 245 -0.405 -7.746 0.311 1.00 0.00 C ATOM 541 CD GLU A 245 -0.707 -8.150 -1.118 1.00 0.00 C ATOM 542 OE1 GLU A 245 -1.183 -7.291 -1.891 1.00 0.00 O ATOM 543 OE2 GLU A 245 -0.467 -9.326 -1.465 1.00 0.00 O ATOM 0 H GLU A 245 1.367 -4.225 1.087 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.921 -5.703 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.293 -5.697 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.256 -6.412 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.275 -8.473 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.325 -7.774 0.895 1.00 0.00 H new ATOM 550 N LEU A 246 0.211 -7.002 3.880 1.00 0.00 N ATOM 551 CA LEU A 246 0.830 -7.817 4.917 1.00 0.00 C ATOM 552 C LEU A 246 1.153 -9.217 4.409 1.00 0.00 C ATOM 553 O LEU A 246 0.406 -9.794 3.619 1.00 0.00 O ATOM 554 CB LEU A 246 -0.086 -7.904 6.138 1.00 0.00 C ATOM 555 CG LEU A 246 -0.442 -6.559 6.774 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.557 -6.731 7.792 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.784 -5.935 7.421 1.00 0.00 C ATOM 0 H LEU A 246 -0.764 -6.762 4.058 1.00 0.00 H new ATOM 0 HA LEU A 246 1.766 -7.337 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.008 -8.407 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.394 -8.529 6.891 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.794 -5.888 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.798 -5.765 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.441 -7.134 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.233 -7.418 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.512 -4.979 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.167 -6.602 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.553 -5.776 6.665 1.00 0.00 H new ATOM 569 N ASP A 247 2.277 -9.752 4.872 1.00 0.00 N ATOM 570 CA ASP A 247 2.719 -11.083 4.475 1.00 0.00 C ATOM 571 C ASP A 247 1.801 -12.163 5.046 1.00 0.00 C ATOM 572 O ASP A 247 1.734 -13.274 4.521 1.00 0.00 O ATOM 573 CB ASP A 247 4.158 -11.317 4.941 1.00 0.00 C ATOM 574 CG ASP A 247 5.175 -10.675 4.018 1.00 0.00 C ATOM 575 OD1 ASP A 247 5.490 -11.278 2.970 1.00 0.00 O ATOM 576 OD2 ASP A 247 5.657 -9.570 4.343 1.00 0.00 O ATOM 0 H ASP A 247 2.902 -9.281 5.526 1.00 0.00 H new ATOM 0 HA ASP A 247 2.678 -11.144 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.281 -10.917 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.349 -12.389 4.999 1.00 0.00 H new ATOM 581 N GLU A 248 1.097 -11.830 6.124 1.00 0.00 N ATOM 582 CA GLU A 248 0.187 -12.775 6.763 1.00 0.00 C ATOM 583 C GLU A 248 -1.120 -12.089 7.160 1.00 0.00 C ATOM 584 O GLU A 248 -1.213 -10.863 7.152 1.00 0.00 O ATOM 585 CB GLU A 248 0.849 -13.396 7.994 1.00 0.00 C ATOM 586 CG GLU A 248 1.421 -14.782 7.744 1.00 0.00 C ATOM 587 CD GLU A 248 2.936 -14.812 7.804 1.00 0.00 C ATOM 588 OE1 GLU A 248 3.498 -14.354 8.821 1.00 0.00 O ATOM 589 OE2 GLU A 248 3.559 -15.290 6.835 1.00 0.00 O ATOM 0 H GLU A 248 1.139 -10.915 6.573 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.043 -13.564 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.648 -12.739 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.117 -13.454 8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 248 1.019 -15.475 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 248 1.094 -15.134 6.766 1.00 0.00 H new ATOM 596 N PRO A 249 -2.150 -12.879 7.515 1.00 0.00 N ATOM 597 CA PRO A 249 -3.456 -12.341 7.916 1.00 0.00 C ATOM 598 C PRO A 249 -3.381 -11.561 9.226 1.00 0.00 C ATOM 599 O PRO A 249 -3.897 -12.000 10.254 1.00 0.00 O ATOM 600 CB PRO A 249 -4.326 -13.590 8.084 1.00 0.00 C ATOM 601 CG PRO A 249 -3.363 -14.698 8.333 1.00 0.00 C ATOM 602 CD PRO A 249 -2.127 -14.352 7.552 1.00 0.00 C ATOM 0 HA PRO A 249 -3.846 -11.634 7.184 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -5.022 -13.478 8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -4.923 -13.779 7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.140 -14.791 9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.775 -15.654 8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.226 -14.728 8.037 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -2.152 -14.780 6.550 1.00 0.00 H new ATOM 610 N LEU A 250 -2.732 -10.403 9.178 1.00 0.00 N ATOM 611 CA LEU A 250 -2.586 -9.557 10.359 1.00 0.00 C ATOM 612 C LEU A 250 -3.072 -8.138 10.082 1.00 0.00 C ATOM 613 O LEU A 250 -2.649 -7.188 10.742 1.00 0.00 O ATOM 614 CB LEU A 250 -1.125 -9.530 10.815 1.00 0.00 C ATOM 615 CG LEU A 250 -0.091 -9.480 9.684 1.00 0.00 C ATOM 616 CD1 LEU A 250 0.808 -8.262 9.830 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.742 -10.753 9.664 1.00 0.00 C ATOM 0 H LEU A 250 -2.298 -10.028 8.335 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.201 -9.980 11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.978 -8.663 11.459 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.934 -10.415 11.422 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.626 -9.401 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.534 -8.246 9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.203 -7.356 9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.333 -8.309 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.470 -10.699 8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.264 -10.861 10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.090 -11.612 9.508 1.00 0.00 H new ATOM 629 N GLY A 251 -3.959 -7.995 9.101 1.00 0.00 N ATOM 630 CA GLY A 251 -4.481 -6.685 8.760 1.00 0.00 C ATOM 631 C GLY A 251 -5.905 -6.486 9.239 1.00 0.00 C ATOM 632 O GLY A 251 -6.491 -7.375 9.856 1.00 0.00 O ATOM 0 H GLY A 251 -4.325 -8.762 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.843 -5.918 9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.443 -6.552 7.679 1.00 0.00 H new ATOM 636 N LYS A 252 -6.463 -5.312 8.958 1.00 0.00 N ATOM 637 CA LYS A 252 -7.827 -4.996 9.368 1.00 0.00 C ATOM 638 C LYS A 252 -8.750 -4.870 8.160 1.00 0.00 C ATOM 639 O LYS A 252 -9.956 -5.099 8.264 1.00 0.00 O ATOM 640 CB LYS A 252 -7.853 -3.695 10.175 1.00 0.00 C ATOM 641 CG LYS A 252 -6.687 -3.548 11.140 1.00 0.00 C ATOM 642 CD LYS A 252 -6.869 -4.418 12.373 1.00 0.00 C ATOM 643 CE LYS A 252 -5.559 -4.602 13.123 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.604 -5.769 14.044 1.00 0.00 N ATOM 0 H LYS A 252 -5.992 -4.564 8.448 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.185 -5.815 9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.851 -2.851 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.786 -3.645 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.760 -3.820 10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.592 -2.505 11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.607 -3.964 13.034 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.261 -5.392 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -4.747 -4.736 12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.337 -3.699 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.692 -5.859 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.362 -5.631 14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -5.790 -6.635 13.499 1.00 0.00 H new ATOM 658 N ASN A 253 -8.183 -4.500 7.015 1.00 0.00 N ATOM 659 CA ASN A 253 -8.964 -4.340 5.794 1.00 0.00 C ATOM 660 C ASN A 253 -8.494 -5.306 4.709 1.00 0.00 C ATOM 661 O ASN A 253 -7.377 -5.820 4.761 1.00 0.00 O ATOM 662 CB ASN A 253 -8.868 -2.897 5.287 1.00 0.00 C ATOM 663 CG ASN A 253 -7.475 -2.544 4.800 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.230 -2.462 3.596 1.00 0.00 O ATOM 665 ND2 ASN A 253 -6.556 -2.334 5.734 1.00 0.00 N ATOM 0 H ASN A 253 -7.187 -4.306 6.908 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.004 -4.569 6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -9.581 -2.752 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.154 -2.214 6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -5.602 -2.094 5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -6.804 -2.413 6.720 1.00 0.00 H new ATOM 672 N ASP A 254 -9.356 -5.544 3.726 1.00 0.00 N ATOM 673 CA ASP A 254 -9.034 -6.444 2.625 1.00 0.00 C ATOM 674 C ASP A 254 -8.571 -5.665 1.399 1.00 0.00 C ATOM 675 O ASP A 254 -8.698 -6.137 0.267 1.00 0.00 O ATOM 676 CB ASP A 254 -10.250 -7.302 2.269 1.00 0.00 C ATOM 677 CG ASP A 254 -11.468 -6.466 1.928 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.360 -5.597 1.038 1.00 0.00 O ATOM 679 OD2 ASP A 254 -12.529 -6.680 2.552 1.00 0.00 O ATOM 0 H ASP A 254 -10.284 -5.125 3.670 1.00 0.00 H new ATOM 0 HA ASP A 254 -8.220 -7.093 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -10.004 -7.943 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.486 -7.958 3.107 1.00 0.00 H new ATOM 684 N GLY A 255 -8.035 -4.470 1.625 1.00 0.00 N ATOM 685 CA GLY A 255 -7.562 -3.647 0.525 1.00 0.00 C ATOM 686 C GLY A 255 -8.477 -2.472 0.231 1.00 0.00 C ATOM 687 O GLY A 255 -8.199 -1.673 -0.664 1.00 0.00 O ATOM 0 H GLY A 255 -7.919 -4.056 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.565 -3.275 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.471 -4.263 -0.370 1.00 0.00 H new ATOM 691 N ALA A 256 -9.570 -2.363 0.981 1.00 0.00 N ATOM 692 CA ALA A 256 -10.521 -1.275 0.789 1.00 0.00 C ATOM 693 C ALA A 256 -10.804 -0.554 2.102 1.00 0.00 C ATOM 694 O ALA A 256 -10.595 -1.106 3.183 1.00 0.00 O ATOM 695 CB ALA A 256 -11.813 -1.804 0.183 1.00 0.00 C ATOM 0 H ALA A 256 -9.818 -3.014 1.726 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.078 -0.556 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.514 -0.981 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.600 -2.265 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.251 -2.546 0.851 1.00 0.00 H new ATOM 701 N VAL A 257 -11.281 0.681 2.002 1.00 0.00 N ATOM 702 CA VAL A 257 -11.593 1.479 3.181 1.00 0.00 C ATOM 703 C VAL A 257 -12.867 2.292 2.969 1.00 0.00 C ATOM 704 O VAL A 257 -12.937 3.137 2.078 1.00 0.00 O ATOM 705 CB VAL A 257 -10.435 2.435 3.534 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.757 3.238 4.787 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.139 1.657 3.708 1.00 0.00 C ATOM 0 H VAL A 257 -11.460 1.152 1.115 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.742 0.784 4.007 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.307 3.137 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.926 3.905 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.659 3.827 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.917 2.558 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.332 2.346 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.256 0.930 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.899 1.137 2.780 1.00 0.00 H new ATOM 717 N ALA A 258 -13.875 2.029 3.796 1.00 0.00 N ATOM 718 CA ALA A 258 -15.147 2.734 3.702 1.00 0.00 C ATOM 719 C ALA A 258 -15.797 2.518 2.339 1.00 0.00 C ATOM 720 O ALA A 258 -16.588 3.343 1.882 1.00 0.00 O ATOM 721 CB ALA A 258 -14.947 4.218 3.964 1.00 0.00 C ATOM 0 H ALA A 258 -13.834 1.332 4.539 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.816 2.328 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.905 4.733 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.535 4.359 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.257 4.628 3.226 1.00 0.00 H new ATOM 727 N GLY A 259 -15.461 1.404 1.695 1.00 0.00 N ATOM 728 CA GLY A 259 -16.023 1.105 0.391 1.00 0.00 C ATOM 729 C GLY A 259 -15.145 1.585 -0.752 1.00 0.00 C ATOM 730 O GLY A 259 -15.569 1.587 -1.907 1.00 0.00 O ATOM 0 H GLY A 259 -14.811 0.704 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.171 0.029 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.005 1.570 0.308 1.00 0.00 H new ATOM 734 N THR A 260 -13.919 1.993 -0.432 1.00 0.00 N ATOM 735 CA THR A 260 -12.986 2.474 -1.443 1.00 0.00 C ATOM 736 C THR A 260 -11.756 1.575 -1.518 1.00 0.00 C ATOM 737 O THR A 260 -10.994 1.466 -0.557 1.00 0.00 O ATOM 738 CB THR A 260 -12.563 3.911 -1.133 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.698 4.739 -0.950 1.00 0.00 O ATOM 740 CG2 THR A 260 -11.712 4.532 -2.220 1.00 0.00 C ATOM 0 H THR A 260 -13.551 1.999 0.519 1.00 0.00 H new ATOM 0 HA THR A 260 -13.491 2.451 -2.409 1.00 0.00 H new ATOM 0 HB THR A 260 -11.969 3.847 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.407 5.653 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.447 5.551 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 260 -10.804 3.944 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.272 4.549 -3.155 1.00 0.00 H new ATOM 748 N ARG A 261 -11.566 0.934 -2.666 1.00 0.00 N ATOM 749 CA ARG A 261 -10.426 0.046 -2.865 1.00 0.00 C ATOM 750 C ARG A 261 -9.226 0.817 -3.403 1.00 0.00 C ATOM 751 O ARG A 261 -9.254 1.327 -4.523 1.00 0.00 O ATOM 752 CB ARG A 261 -10.794 -1.085 -3.826 1.00 0.00 C ATOM 753 CG ARG A 261 -9.659 -2.063 -4.080 1.00 0.00 C ATOM 754 CD ARG A 261 -10.144 -3.305 -4.807 1.00 0.00 C ATOM 755 NE ARG A 261 -11.070 -4.089 -3.993 1.00 0.00 N ATOM 756 CZ ARG A 261 -11.545 -5.281 -4.349 1.00 0.00 C ATOM 757 NH1 ARG A 261 -11.185 -5.829 -5.503 1.00 0.00 N ATOM 758 NH2 ARG A 261 -12.383 -5.926 -3.550 1.00 0.00 N ATOM 0 H ARG A 261 -12.186 1.012 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.157 -0.382 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.648 -1.629 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.110 -0.654 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.883 -1.575 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.206 -2.350 -3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -10.635 -3.013 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -9.288 -3.923 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 261 -11.370 -3.700 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -10.541 -5.337 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -11.552 -6.742 -5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -12.664 -5.509 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -12.747 -6.839 -3.823 1.00 0.00 H new ATOM 772 N TYR A 262 -8.172 0.898 -2.598 1.00 0.00 N ATOM 773 CA TYR A 262 -6.961 1.607 -2.994 1.00 0.00 C ATOM 774 C TYR A 262 -6.002 0.674 -3.727 1.00 0.00 C ATOM 775 O TYR A 262 -5.280 1.094 -4.631 1.00 0.00 O ATOM 776 CB TYR A 262 -6.274 2.211 -1.768 1.00 0.00 C ATOM 777 CG TYR A 262 -7.066 3.322 -1.116 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.158 3.040 -0.304 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.721 4.653 -1.313 1.00 0.00 C ATOM 780 CE1 TYR A 262 -8.885 4.054 0.292 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.443 5.672 -0.721 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.522 5.367 0.080 1.00 0.00 C ATOM 783 OH TYR A 262 -9.244 6.379 0.673 1.00 0.00 O ATOM 0 H TYR A 262 -8.132 0.482 -1.668 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.244 2.412 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.098 1.423 -1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.298 2.596 -2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.443 2.012 -0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -5.875 4.896 -1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.732 3.819 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.163 6.702 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.097 6.024 0.999 1.00 0.00 H new ATOM 793 N PHE A 263 -6.003 -0.594 -3.330 1.00 0.00 N ATOM 794 CA PHE A 263 -5.136 -1.591 -3.948 1.00 0.00 C ATOM 795 C PHE A 263 -5.712 -2.991 -3.768 1.00 0.00 C ATOM 796 O PHE A 263 -6.710 -3.179 -3.072 1.00 0.00 O ATOM 797 CB PHE A 263 -3.730 -1.521 -3.350 1.00 0.00 C ATOM 798 CG PHE A 263 -3.717 -1.423 -1.851 1.00 0.00 C ATOM 799 CD1 PHE A 263 -3.931 -0.207 -1.221 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.490 -2.545 -1.071 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.919 -0.113 0.157 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.477 -2.458 0.308 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.691 -1.240 0.922 1.00 0.00 C ATOM 0 H PHE A 263 -6.595 -0.956 -2.582 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.075 -1.375 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.171 -2.407 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.210 -0.658 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.109 0.677 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.321 -3.500 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.088 0.840 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.300 -3.341 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.680 -1.169 2.000 1.00 0.00 H new ATOM 813 N GLN A 264 -5.076 -3.974 -4.399 1.00 0.00 N ATOM 814 CA GLN A 264 -5.528 -5.358 -4.306 1.00 0.00 C ATOM 815 C GLN A 264 -4.619 -6.165 -3.386 1.00 0.00 C ATOM 816 O GLN A 264 -3.397 -6.147 -3.533 1.00 0.00 O ATOM 817 CB GLN A 264 -5.569 -5.997 -5.695 1.00 0.00 C ATOM 818 CG GLN A 264 -6.281 -7.340 -5.724 1.00 0.00 C ATOM 819 CD GLN A 264 -7.789 -7.201 -5.657 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.311 -7.004 -4.452 1.00 0.00 O flip ATOM 821 NE2 GLN A 264 -8.477 -7.270 -6.675 1.00 0.00 N flip ATOM 0 H GLN A 264 -4.248 -3.838 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.533 -5.360 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.067 -5.316 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.549 -6.128 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.009 -7.872 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -5.938 -7.947 -4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -8.034 -7.422 -7.581 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.491 -7.175 -6.613 1.00 0.00 H new ATOM 830 N CYS A 265 -5.223 -6.874 -2.438 1.00 0.00 N ATOM 831 CA CYS A 265 -4.466 -7.689 -1.494 1.00 0.00 C ATOM 832 C CYS A 265 -5.314 -8.839 -0.961 1.00 0.00 C ATOM 833 O CYS A 265 -6.542 -8.810 -1.044 1.00 0.00 O ATOM 834 CB CYS A 265 -3.967 -6.827 -0.333 1.00 0.00 C ATOM 835 SG CYS A 265 -5.257 -5.844 0.465 1.00 0.00 S ATOM 0 H CYS A 265 -6.234 -6.901 -2.303 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.610 -8.110 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.504 -7.474 0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.190 -6.157 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.867 -4.607 0.555 1.00 0.00 H new ATOM 841 N GLN A 266 -4.648 -9.850 -0.412 1.00 0.00 N ATOM 842 CA GLN A 266 -5.335 -11.013 0.138 1.00 0.00 C ATOM 843 C GLN A 266 -6.265 -10.605 1.277 1.00 0.00 C ATOM 844 O GLN A 266 -6.176 -9.492 1.796 1.00 0.00 O ATOM 845 CB GLN A 266 -4.320 -12.044 0.636 1.00 0.00 C ATOM 846 CG GLN A 266 -4.163 -13.238 -0.288 1.00 0.00 C ATOM 847 CD GLN A 266 -3.598 -12.857 -1.634 1.00 0.00 C ATOM 848 OE1 GLN A 266 -2.540 -12.234 -1.726 1.00 0.00 O ATOM 849 NE2 GLN A 266 -4.303 -13.231 -2.686 1.00 0.00 N ATOM 0 H GLN A 266 -3.631 -9.887 -0.336 1.00 0.00 H new ATOM 0 HA GLN A 266 -5.934 -11.459 -0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.351 -11.559 0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.626 -12.396 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -3.510 -13.973 0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -5.133 -13.716 -0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -5.174 -13.746 -2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -3.976 -13.005 -3.625 1.00 0.00 H new ATOM 858 N PRO A 267 -7.176 -11.505 1.686 1.00 0.00 N ATOM 859 CA PRO A 267 -8.120 -11.233 2.772 1.00 0.00 C ATOM 860 C PRO A 267 -7.413 -11.048 4.111 1.00 0.00 C ATOM 861 O PRO A 267 -6.608 -11.884 4.518 1.00 0.00 O ATOM 862 CB PRO A 267 -9.010 -12.481 2.803 1.00 0.00 C ATOM 863 CG PRO A 267 -8.199 -13.548 2.155 1.00 0.00 C ATOM 864 CD PRO A 267 -7.352 -12.857 1.126 1.00 0.00 C ATOM 0 HA PRO A 267 -8.675 -10.309 2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.274 -12.752 3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.944 -12.314 2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -7.579 -14.066 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -8.840 -14.299 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.396 -13.362 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.843 -12.829 0.153 1.00 0.00 H new ATOM 872 N LYS A 268 -7.715 -9.945 4.789 1.00 0.00 N ATOM 873 CA LYS A 268 -7.104 -9.647 6.080 1.00 0.00 C ATOM 874 C LYS A 268 -5.604 -9.408 5.935 1.00 0.00 C ATOM 875 O LYS A 268 -4.841 -9.591 6.885 1.00 0.00 O ATOM 876 CB LYS A 268 -7.358 -10.790 7.067 1.00 0.00 C ATOM 877 CG LYS A 268 -8.825 -11.170 7.193 1.00 0.00 C ATOM 878 CD LYS A 268 -9.414 -10.689 8.510 1.00 0.00 C ATOM 879 CE LYS A 268 -10.516 -11.617 8.999 1.00 0.00 C ATOM 880 NZ LYS A 268 -10.813 -11.415 10.442 1.00 0.00 N ATOM 0 H LYS A 268 -8.380 -9.242 4.466 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.561 -8.736 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.790 -11.665 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.980 -10.503 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.386 -10.740 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.929 -12.253 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.627 -10.629 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -9.813 -9.682 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -11.420 -11.446 8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.220 -12.652 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -11.569 -12.066 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -9.957 -11.603 11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -11.121 -10.434 10.599 1.00 0.00 H new ATOM 894 N TYR A 269 -5.184 -8.998 4.741 1.00 0.00 N ATOM 895 CA TYR A 269 -3.774 -8.731 4.473 1.00 0.00 C ATOM 896 C TYR A 269 -3.529 -7.240 4.253 1.00 0.00 C ATOM 897 O TYR A 269 -2.397 -6.767 4.358 1.00 0.00 O ATOM 898 CB TYR A 269 -3.307 -9.513 3.244 1.00 0.00 C ATOM 899 CG TYR A 269 -2.787 -10.899 3.555 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.408 -11.699 4.506 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.678 -11.410 2.893 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.937 -12.966 4.790 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.201 -12.677 3.172 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.834 -13.451 4.120 1.00 0.00 C ATOM 905 OH TYR A 269 -1.363 -14.713 4.399 1.00 0.00 O ATOM 0 H TYR A 269 -5.801 -8.843 3.943 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.204 -9.053 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.137 -9.597 2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.523 -8.946 2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.273 -11.324 5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.180 -10.807 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.431 -13.574 5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.336 -13.058 2.649 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.581 -14.901 3.839 1.00 0.00 H new ATOM 915 N GLY A 270 -4.591 -6.503 3.942 1.00 0.00 N ATOM 916 CA GLY A 270 -4.459 -5.076 3.707 1.00 0.00 C ATOM 917 C GLY A 270 -4.330 -4.277 4.989 1.00 0.00 C ATOM 918 O GLY A 270 -5.102 -4.467 5.928 1.00 0.00 O ATOM 0 H GLY A 270 -5.539 -6.867 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.584 -4.895 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.327 -4.723 3.150 1.00 0.00 H new ATOM 922 N LEU A 271 -3.353 -3.377 5.022 1.00 0.00 N ATOM 923 CA LEU A 271 -3.120 -2.538 6.191 1.00 0.00 C ATOM 924 C LEU A 271 -2.818 -1.104 5.766 1.00 0.00 C ATOM 925 O LEU A 271 -1.923 -0.862 4.955 1.00 0.00 O ATOM 926 CB LEU A 271 -1.966 -3.095 7.025 1.00 0.00 C ATOM 927 CG LEU A 271 -2.037 -2.783 8.522 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.286 -3.394 9.140 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.787 -3.290 9.230 1.00 0.00 C ATOM 0 H LEU A 271 -2.708 -3.210 4.250 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.024 -2.538 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.934 -4.177 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.030 -2.700 6.631 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.090 -1.701 8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.317 -3.160 10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.171 -2.984 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.266 -4.476 9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -0.853 -3.060 10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.705 -4.369 9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.093 -2.804 8.808 1.00 0.00 H new ATOM 941 N PHE A 272 -3.578 -0.157 6.308 1.00 0.00 N ATOM 942 CA PHE A 272 -3.398 1.253 5.975 1.00 0.00 C ATOM 943 C PHE A 272 -2.711 2.010 7.106 1.00 0.00 C ATOM 944 O PHE A 272 -3.284 2.191 8.177 1.00 0.00 O ATOM 945 CB PHE A 272 -4.756 1.898 5.683 1.00 0.00 C ATOM 946 CG PHE A 272 -5.286 1.600 4.309 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.350 0.296 3.844 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.726 2.624 3.486 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.842 0.020 2.583 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.219 2.354 2.224 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.277 1.049 1.772 1.00 0.00 C ATOM 0 H PHE A 272 -4.324 -0.340 6.979 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.763 1.308 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.478 1.554 6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.668 2.978 5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.012 -0.513 4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.683 3.645 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -5.886 -1.000 2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.558 3.161 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.662 0.835 0.786 1.00 0.00 H new ATOM 961 N ALA A 273 -1.484 2.466 6.857 1.00 0.00 N ATOM 962 CA ALA A 273 -0.734 3.220 7.856 1.00 0.00 C ATOM 963 C ALA A 273 0.039 4.368 7.210 1.00 0.00 C ATOM 964 O ALA A 273 0.458 4.276 6.056 1.00 0.00 O ATOM 965 CB ALA A 273 0.218 2.314 8.626 1.00 0.00 C ATOM 0 H ALA A 273 -0.991 2.326 5.975 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.454 3.640 8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.764 2.903 9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.351 1.535 9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.924 1.855 7.933 1.00 0.00 H new ATOM 971 N PRO A 274 0.235 5.468 7.954 1.00 0.00 N ATOM 972 CA PRO A 274 0.958 6.645 7.462 1.00 0.00 C ATOM 973 C PRO A 274 2.307 6.290 6.848 1.00 0.00 C ATOM 974 O PRO A 274 2.836 5.201 7.071 1.00 0.00 O ATOM 975 CB PRO A 274 1.165 7.487 8.719 1.00 0.00 C ATOM 976 CG PRO A 274 0.061 7.092 9.633 1.00 0.00 C ATOM 977 CD PRO A 274 -0.237 5.647 9.338 1.00 0.00 C ATOM 0 HA PRO A 274 0.406 7.152 6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.139 7.292 9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.127 8.552 8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.353 7.224 10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.820 7.712 9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.283 4.982 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.302 5.431 9.429 1.00 0.00 H new ATOM 985 N VAL A 275 2.862 7.222 6.080 1.00 0.00 N ATOM 986 CA VAL A 275 4.158 7.012 5.440 1.00 0.00 C ATOM 987 C VAL A 275 5.263 6.955 6.485 1.00 0.00 C ATOM 988 O VAL A 275 6.133 6.087 6.439 1.00 0.00 O ATOM 989 CB VAL A 275 4.514 8.122 4.422 1.00 0.00 C ATOM 990 CG1 VAL A 275 5.140 7.519 3.175 1.00 0.00 C ATOM 991 CG2 VAL A 275 3.299 8.959 4.059 1.00 0.00 C ATOM 0 H VAL A 275 2.437 8.128 5.885 1.00 0.00 H new ATOM 0 HA VAL A 275 4.079 6.066 4.904 1.00 0.00 H new ATOM 0 HB VAL A 275 5.240 8.784 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 275 5.384 8.314 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 275 6.049 6.983 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 275 4.436 6.827 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 275 3.588 9.728 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 275 2.535 8.319 3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 275 2.901 9.431 4.957 1.00 0.00 H new ATOM 1001 N HIS A 276 5.222 7.895 7.422 1.00 0.00 N ATOM 1002 CA HIS A 276 6.225 7.958 8.474 1.00 0.00 C ATOM 1003 C HIS A 276 6.131 6.745 9.396 1.00 0.00 C ATOM 1004 O HIS A 276 7.114 6.357 10.027 1.00 0.00 O ATOM 1005 CB HIS A 276 6.086 9.251 9.280 1.00 0.00 C ATOM 1006 CG HIS A 276 4.673 9.607 9.629 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.659 8.851 10.113 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 4.165 10.883 9.493 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.571 9.676 10.259 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.903 10.896 9.880 1.00 0.00 N flip ATOM 0 H HIS A 276 4.507 8.621 7.474 1.00 0.00 H new ATOM 0 HA HIS A 276 7.206 7.950 7.999 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.663 9.157 10.200 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.525 10.070 8.711 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.714 11.738 9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.600 9.375 10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 276 2.289 11.710 9.885 1.00 0.00 H new ATOM 1019 N LYS A 277 4.946 6.142 9.465 1.00 0.00 N ATOM 1020 CA LYS A 277 4.736 4.968 10.303 1.00 0.00 C ATOM 1021 C LYS A 277 5.277 3.715 9.628 1.00 0.00 C ATOM 1022 O LYS A 277 5.543 2.710 10.286 1.00 0.00 O ATOM 1023 CB LYS A 277 3.249 4.783 10.610 1.00 0.00 C ATOM 1024 CG LYS A 277 2.747 5.650 11.752 1.00 0.00 C ATOM 1025 CD LYS A 277 2.479 4.821 13.001 1.00 0.00 C ATOM 1026 CE LYS A 277 3.461 5.149 14.115 1.00 0.00 C ATOM 1027 NZ LYS A 277 4.871 5.124 13.639 1.00 0.00 N ATOM 0 H LYS A 277 4.120 6.448 8.951 1.00 0.00 H new ATOM 0 HA LYS A 277 5.276 5.126 11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.672 5.009 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.065 3.736 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.484 6.422 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.833 6.161 11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.462 5.003 13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 277 2.547 3.761 12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 277 3.233 6.134 14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 277 3.340 4.433 14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 5.512 5.064 14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 5.015 4.298 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 5.072 5.993 13.104 1.00 0.00 H new ATOM 1041 N VAL A 278 5.442 3.780 8.311 1.00 0.00 N ATOM 1042 CA VAL A 278 5.956 2.647 7.557 1.00 0.00 C ATOM 1043 C VAL A 278 7.461 2.757 7.356 1.00 0.00 C ATOM 1044 O VAL A 278 7.986 3.837 7.091 1.00 0.00 O ATOM 1045 CB VAL A 278 5.270 2.516 6.184 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.707 1.236 5.495 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.757 2.550 6.331 1.00 0.00 C ATOM 0 H VAL A 278 5.228 4.603 7.747 1.00 0.00 H new ATOM 0 HA VAL A 278 5.735 1.756 8.145 1.00 0.00 H new ATOM 0 HB VAL A 278 5.572 3.364 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.214 1.158 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.787 1.250 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.434 0.380 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.294 2.456 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.434 1.724 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.457 3.494 6.785 1.00 0.00 H new ATOM 1057 N THR A 279 8.148 1.629 7.487 1.00 0.00 N ATOM 1058 CA THR A 279 9.595 1.592 7.324 1.00 0.00 C ATOM 1059 C THR A 279 10.014 0.413 6.450 1.00 0.00 C ATOM 1060 O THR A 279 9.447 -0.675 6.546 1.00 0.00 O ATOM 1061 CB THR A 279 10.277 1.496 8.690 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.382 1.863 9.725 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.502 2.375 8.810 1.00 0.00 C ATOM 0 H THR A 279 7.725 0.727 7.706 1.00 0.00 H new ATOM 0 HA THR A 279 9.906 2.514 6.832 1.00 0.00 H new ATOM 0 HB THR A 279 10.586 0.455 8.786 1.00 0.00 H new ATOM 0 HG1 THR A 279 9.836 1.793 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 279 11.937 2.259 9.803 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.234 2.084 8.057 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.219 3.416 8.657 1.00 0.00 H new ATOM 1071 N LYS A 280 11.010 0.637 5.601 1.00 0.00 N ATOM 1072 CA LYS A 280 11.504 -0.409 4.714 1.00 0.00 C ATOM 1073 C LYS A 280 12.253 -1.478 5.503 1.00 0.00 C ATOM 1074 O LYS A 280 13.113 -1.165 6.327 1.00 0.00 O ATOM 1075 CB LYS A 280 12.415 0.192 3.640 1.00 0.00 C ATOM 1076 CG LYS A 280 11.930 -0.060 2.222 1.00 0.00 C ATOM 1077 CD LYS A 280 12.952 0.400 1.194 1.00 0.00 C ATOM 1078 CE LYS A 280 14.070 -0.617 1.027 1.00 0.00 C ATOM 1079 NZ LYS A 280 15.259 -0.030 0.350 1.00 0.00 N ATOM 0 H LYS A 280 11.491 1.532 5.508 1.00 0.00 H new ATOM 0 HA LYS A 280 10.648 -0.878 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.495 1.267 3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.417 -0.222 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.731 -1.123 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 280 10.988 0.464 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 280 12.459 0.561 0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 280 13.373 1.358 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.361 -1.000 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 280 13.705 -1.466 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 15.998 -0.756 0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 14.987 0.312 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 15.623 0.764 0.915 1.00 0.00 H new ATOM 1093 N ILE A 281 11.920 -2.737 5.248 1.00 0.00 N ATOM 1094 CA ILE A 281 12.561 -3.851 5.936 1.00 0.00 C ATOM 1095 C ILE A 281 13.884 -4.219 5.273 1.00 0.00 C ATOM 1096 O ILE A 281 14.799 -4.722 5.925 1.00 0.00 O ATOM 1097 CB ILE A 281 11.645 -5.092 5.968 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.293 -6.214 6.783 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.338 -5.565 4.555 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.295 -7.059 7.545 1.00 0.00 C ATOM 0 H ILE A 281 11.210 -3.013 4.570 1.00 0.00 H new ATOM 0 HA ILE A 281 12.752 -3.526 6.959 1.00 0.00 H new ATOM 0 HB ILE A 281 10.706 -4.816 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.864 -6.856 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 281 13.001 -5.778 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.691 -6.441 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.836 -4.769 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.267 -5.825 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.823 -7.834 8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.741 -6.429 8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.601 -7.523 6.844 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.323 3.967 14.617 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.348 4.857 13.460 1.00 0.00 C ATOM 1200 C GLU B 449 -2.491 4.068 12.167 1.00 0.00 C ATOM 1201 O GLU B 449 -2.113 4.547 11.101 1.00 0.00 O ATOM 1202 CB GLU B 449 -1.071 5.695 13.396 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.514 6.080 14.758 1.00 0.00 C ATOM 1204 CD GLU B 449 0.051 7.486 14.780 1.00 0.00 C ATOM 1205 OE1 GLU B 449 0.613 7.917 13.751 1.00 0.00 O ATOM 1206 OE2 GLU B 449 -0.067 8.157 15.826 1.00 0.00 O ATOM 0 HA GLU B 449 -3.209 5.516 13.573 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.311 5.138 12.848 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.273 6.603 12.828 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.303 5.998 15.506 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.267 5.374 15.040 1.00 0.00 H new ATOM 1213 N GLU B 450 -3.029 2.860 12.256 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.200 2.029 11.073 1.00 0.00 C ATOM 1215 C GLU B 450 -4.560 1.338 11.072 1.00 0.00 C ATOM 1216 O GLU B 450 -5.166 1.133 12.123 1.00 0.00 O ATOM 1217 CB GLU B 450 -2.072 0.997 10.981 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.217 -0.165 11.951 1.00 0.00 C ATOM 1219 CD GLU B 450 -2.079 0.264 13.398 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -1.007 0.790 13.762 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -3.043 0.073 14.169 1.00 0.00 O ATOM 0 H GLU B 450 -3.352 2.437 13.126 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.156 2.677 10.197 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -2.033 0.606 9.964 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.121 1.496 11.167 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.190 -0.635 11.806 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -1.462 -0.918 11.725 1.00 0.00 H new ATOM 1228 N TYR B 451 -5.035 0.988 9.881 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.324 0.324 9.734 1.00 0.00 C ATOM 1230 C TYR B 451 -6.241 -0.813 8.721 1.00 0.00 C ATOM 1231 O TYR B 451 -5.125 -1.334 8.510 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.389 1.333 9.297 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.920 2.181 10.430 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.254 3.333 10.832 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.088 1.834 11.096 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.737 4.111 11.867 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.576 2.606 12.133 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.898 3.743 12.513 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.381 4.516 13.545 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.291 -1.171 8.149 1.00 0.00 O ATOM 0 H TYR B 451 -4.545 1.154 9.002 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.601 -0.096 10.701 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.967 1.986 8.533 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.218 0.797 8.836 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.345 3.625 10.327 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.624 0.945 10.798 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.208 5.003 12.168 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.484 2.319 12.643 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.207 4.119 13.892 1.00 0.00 H new