USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 615 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 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -24:sc= -2.29! USER MOD Single : A 238 LYS NZ :NH3+ -165:sc= -0.0948 (180deg=-0.414) USER MOD Single : A 242 CYS SG : rot 30:sc= -4.76! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -0.564 K(o=-0.56,f=-6.1!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -30:sc= -1.01 USER MOD Single : A 264 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.12) USER MOD Single : A 265 CYS SG : rot -125:sc= -0.292 USER MOD Single : A 266 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3.3!) USER MOD Single : A 268 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0295) USER MOD Single : A 269 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 276 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-4.5!) USER MOD Single : A 277 LYS NZ :NH3+ -140:sc= -1 (180deg=-3.47!) USER MOD Single : A 279 THR OG1 : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ -157:sc= -0.365 (180deg=-1.3!) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 13.728 8.892 2.963 1.00 0.00 N ATOM 2 CA ARG A 210 12.689 8.511 3.913 1.00 0.00 C ATOM 3 C ARG A 210 11.417 8.080 3.186 1.00 0.00 C ATOM 4 O ARG A 210 10.660 7.246 3.682 1.00 0.00 O ATOM 5 CB ARG A 210 12.382 9.675 4.858 1.00 0.00 C ATOM 6 CG ARG A 210 12.216 9.252 6.308 1.00 0.00 C ATOM 7 CD ARG A 210 11.993 10.450 7.217 1.00 0.00 C ATOM 8 NE ARG A 210 11.163 10.115 8.371 1.00 0.00 N ATOM 9 CZ ARG A 210 10.532 11.019 9.118 1.00 0.00 C ATOM 10 NH1 ARG A 210 10.634 12.312 8.835 1.00 0.00 N ATOM 11 NH2 ARG A 210 9.797 10.629 10.149 1.00 0.00 N ATOM 0 HA ARG A 210 13.056 7.666 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 210 13.186 10.408 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 210 11.470 10.171 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 210 11.372 8.567 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 210 13.103 8.708 6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 210 12.956 10.828 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 210 11.519 11.252 6.650 1.00 0.00 H new ATOM 0 HE ARG A 210 11.061 9.131 8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 210 11.198 12.618 8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 210 10.148 13.000 9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 210 9.715 9.637 10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 210 9.314 11.321 10.721 1.00 0.00 H new ATOM 24 N GLU A 211 11.191 8.653 2.008 1.00 0.00 N ATOM 25 CA GLU A 211 10.010 8.326 1.214 1.00 0.00 C ATOM 26 C GLU A 211 9.971 6.838 0.885 1.00 0.00 C ATOM 27 O GLU A 211 10.983 6.144 0.972 1.00 0.00 O ATOM 28 CB GLU A 211 9.995 9.148 -0.076 1.00 0.00 C ATOM 29 CG GLU A 211 11.182 8.875 -0.985 1.00 0.00 C ATOM 30 CD GLU A 211 10.856 9.089 -2.450 1.00 0.00 C ATOM 31 OE1 GLU A 211 10.004 8.346 -2.983 1.00 0.00 O ATOM 32 OE2 GLU A 211 11.451 9.999 -3.065 1.00 0.00 O ATOM 0 H GLU A 211 11.808 9.345 1.582 1.00 0.00 H new ATOM 0 HA GLU A 211 9.126 8.571 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 211 9.075 8.937 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 211 9.979 10.208 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 211 12.009 9.526 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 211 11.519 7.849 -0.838 1.00 0.00 H new ATOM 39 N LEU A 212 8.792 6.352 0.504 1.00 0.00 N ATOM 40 CA LEU A 212 8.619 4.946 0.163 1.00 0.00 C ATOM 41 C LEU A 212 8.129 4.788 -1.273 1.00 0.00 C ATOM 42 O LEU A 212 7.555 5.715 -1.848 1.00 0.00 O ATOM 43 CB LEU A 212 7.629 4.284 1.124 1.00 0.00 C ATOM 44 CG LEU A 212 8.150 4.072 2.544 1.00 0.00 C ATOM 45 CD1 LEU A 212 7.008 3.711 3.482 1.00 0.00 C ATOM 46 CD2 LEU A 212 9.219 2.990 2.564 1.00 0.00 C ATOM 0 H LEU A 212 7.944 6.913 0.424 1.00 0.00 H new ATOM 0 HA LEU A 212 9.589 4.456 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.728 4.896 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 212 7.337 3.318 0.712 1.00 0.00 H new ATOM 0 HG LEU A 212 8.598 5.004 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.397 3.564 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 212 6.275 4.518 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.532 2.792 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.579 2.853 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.796 2.054 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 212 10.049 3.287 1.923 1.00 0.00 H new ATOM 58 N LYS A 213 8.358 3.611 -1.846 1.00 0.00 N ATOM 59 CA LYS A 213 7.939 3.330 -3.214 1.00 0.00 C ATOM 60 C LYS A 213 7.048 2.094 -3.264 1.00 0.00 C ATOM 61 O LYS A 213 7.229 1.154 -2.488 1.00 0.00 O ATOM 62 CB LYS A 213 9.162 3.129 -4.112 1.00 0.00 C ATOM 63 CG LYS A 213 10.181 4.253 -4.015 1.00 0.00 C ATOM 64 CD LYS A 213 11.343 3.875 -3.109 1.00 0.00 C ATOM 65 CE LYS A 213 12.560 3.448 -3.914 1.00 0.00 C ATOM 66 NZ LYS A 213 13.380 4.615 -4.344 1.00 0.00 N ATOM 0 H LYS A 213 8.832 2.835 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 213 7.367 4.184 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.645 2.188 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.831 3.038 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 213 10.557 4.492 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.698 5.152 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 213 11.603 4.723 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 213 11.041 3.064 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 213 13.173 2.775 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 213 12.236 2.889 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 14.200 4.281 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 12.803 5.245 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 13.711 5.135 -3.506 1.00 0.00 H new ATOM 80 N ILE A 214 6.085 2.100 -4.179 1.00 0.00 N ATOM 81 CA ILE A 214 5.166 0.978 -4.327 1.00 0.00 C ATOM 82 C ILE A 214 5.908 -0.282 -4.761 1.00 0.00 C ATOM 83 O ILE A 214 6.817 -0.225 -5.590 1.00 0.00 O ATOM 84 CB ILE A 214 4.057 1.288 -5.349 1.00 0.00 C ATOM 85 CG1 ILE A 214 3.376 2.616 -5.009 1.00 0.00 C ATOM 86 CG2 ILE A 214 3.037 0.158 -5.386 1.00 0.00 C ATOM 87 CD1 ILE A 214 2.254 2.982 -5.957 1.00 0.00 C ATOM 0 H ILE A 214 5.921 2.869 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 214 4.709 0.811 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 214 4.509 1.375 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.980 2.563 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 214 4.122 3.410 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 214 2.260 0.393 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.532 -0.770 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.588 0.041 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.818 3.934 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.647 3.068 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.488 2.207 -5.930 1.00 0.00 H new ATOM 99 N GLY A 215 5.516 -1.419 -4.195 1.00 0.00 N ATOM 100 CA GLY A 215 6.156 -2.676 -4.532 1.00 0.00 C ATOM 101 C GLY A 215 7.366 -2.971 -3.663 1.00 0.00 C ATOM 102 O GLY A 215 8.007 -4.010 -3.818 1.00 0.00 O ATOM 0 H GLY A 215 4.765 -1.492 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.434 -3.486 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.462 -2.654 -5.578 1.00 0.00 H new ATOM 106 N ASP A 216 7.681 -2.056 -2.750 1.00 0.00 N ATOM 107 CA ASP A 216 8.824 -2.227 -1.860 1.00 0.00 C ATOM 108 C ASP A 216 8.399 -2.856 -0.538 1.00 0.00 C ATOM 109 O ASP A 216 7.300 -2.605 -0.044 1.00 0.00 O ATOM 110 CB ASP A 216 9.502 -0.881 -1.604 1.00 0.00 C ATOM 111 CG ASP A 216 10.125 -0.300 -2.857 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.378 -0.021 -3.818 1.00 0.00 O ATOM 113 OD2 ASP A 216 11.362 -0.122 -2.878 1.00 0.00 O ATOM 0 H ASP A 216 7.161 -1.190 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 216 9.533 -2.897 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.770 -0.178 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 216 10.272 -1.004 -0.842 1.00 0.00 H new ATOM 118 N ARG A 217 9.282 -3.671 0.034 1.00 0.00 N ATOM 119 CA ARG A 217 9.000 -4.327 1.304 1.00 0.00 C ATOM 120 C ARG A 217 9.150 -3.340 2.453 1.00 0.00 C ATOM 121 O ARG A 217 10.156 -2.636 2.551 1.00 0.00 O ATOM 122 CB ARG A 217 9.939 -5.518 1.507 1.00 0.00 C ATOM 123 CG ARG A 217 9.346 -6.626 2.363 1.00 0.00 C ATOM 124 CD ARG A 217 8.173 -7.298 1.668 1.00 0.00 C ATOM 125 NE ARG A 217 8.541 -7.829 0.357 1.00 0.00 N ATOM 126 CZ ARG A 217 9.080 -9.032 0.166 1.00 0.00 C ATOM 127 NH1 ARG A 217 9.326 -9.832 1.198 1.00 0.00 N ATOM 128 NH2 ARG A 217 9.375 -9.437 -1.061 1.00 0.00 N ATOM 0 H ARG A 217 10.196 -3.891 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 217 7.973 -4.690 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.207 -5.928 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.861 -5.167 1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.114 -7.368 2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 217 9.018 -6.214 3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.797 -8.107 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.361 -6.580 1.553 1.00 0.00 H new ATOM 0 HE ARG A 217 8.375 -7.243 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 217 9.102 -9.526 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 217 9.739 -10.752 1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 217 9.189 -8.828 -1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 217 9.788 -10.358 -1.209 1.00 0.00 H new ATOM 142 N VAL A 218 8.141 -3.279 3.312 1.00 0.00 N ATOM 143 CA VAL A 218 8.162 -2.360 4.441 1.00 0.00 C ATOM 144 C VAL A 218 7.423 -2.931 5.645 1.00 0.00 C ATOM 145 O VAL A 218 6.943 -4.063 5.617 1.00 0.00 O ATOM 146 CB VAL A 218 7.516 -1.013 4.063 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.143 -0.454 2.793 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.008 -1.168 3.896 1.00 0.00 C ATOM 0 H VAL A 218 7.300 -3.853 3.249 1.00 0.00 H new ATOM 0 HA VAL A 218 9.209 -2.210 4.704 1.00 0.00 H new ATOM 0 HB VAL A 218 7.699 -0.307 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.673 0.497 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.210 -0.301 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.995 -1.158 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.571 -0.206 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.802 -1.892 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.572 -1.518 4.832 1.00 0.00 H new ATOM 158 N LEU A 219 7.320 -2.122 6.693 1.00 0.00 N ATOM 159 CA LEU A 219 6.623 -2.520 7.906 1.00 0.00 C ATOM 160 C LEU A 219 5.538 -1.511 8.246 1.00 0.00 C ATOM 161 O LEU A 219 5.818 -0.330 8.439 1.00 0.00 O ATOM 162 CB LEU A 219 7.592 -2.633 9.083 1.00 0.00 C ATOM 163 CG LEU A 219 8.700 -3.676 8.931 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.438 -3.854 10.249 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.127 -5.003 8.455 1.00 0.00 C ATOM 0 H LEU A 219 7.713 -1.181 6.725 1.00 0.00 H new ATOM 0 HA LEU A 219 6.172 -3.496 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.054 -1.659 9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 219 7.019 -2.866 9.981 1.00 0.00 H new ATOM 0 HG LEU A 219 9.408 -3.323 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.224 -4.599 10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.881 -2.904 10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.738 -4.186 11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.932 -5.731 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.399 -5.366 9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.640 -4.864 7.490 1.00 0.00 H new ATOM 177 N VAL A 220 4.302 -1.979 8.327 1.00 0.00 N ATOM 178 CA VAL A 220 3.184 -1.103 8.656 1.00 0.00 C ATOM 179 C VAL A 220 2.987 -1.051 10.167 1.00 0.00 C ATOM 180 O VAL A 220 2.606 -2.043 10.790 1.00 0.00 O ATOM 181 CB VAL A 220 1.865 -1.544 7.973 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.262 -0.398 7.172 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.082 -2.764 7.086 1.00 0.00 C ATOM 0 H VAL A 220 4.047 -2.954 8.171 1.00 0.00 H new ATOM 0 HA VAL A 220 3.433 -0.111 8.278 1.00 0.00 H new ATOM 0 HB VAL A 220 1.162 -1.822 8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.337 -0.730 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.050 0.439 7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.967 -0.081 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.138 -3.049 6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.811 -2.526 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.453 -3.592 7.690 1.00 0.00 H new ATOM 193 N GLY A 221 3.266 0.112 10.749 1.00 0.00 N ATOM 194 CA GLY A 221 3.131 0.274 12.185 1.00 0.00 C ATOM 195 C GLY A 221 4.383 -0.143 12.939 1.00 0.00 C ATOM 196 O GLY A 221 4.473 0.047 14.152 1.00 0.00 O ATOM 0 H GLY A 221 3.583 0.944 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.906 1.316 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.286 -0.318 12.536 1.00 0.00 H new ATOM 200 N GLY A 222 5.351 -0.713 12.222 1.00 0.00 N ATOM 201 CA GLY A 222 6.588 -1.146 12.849 1.00 0.00 C ATOM 202 C GLY A 222 6.528 -2.584 13.331 1.00 0.00 C ATOM 203 O GLY A 222 7.556 -3.253 13.431 1.00 0.00 O ATOM 0 H GLY A 222 5.299 -0.882 11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.408 -1.039 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.811 -0.493 13.693 1.00 0.00 H new ATOM 207 N THR A 223 5.324 -3.057 13.631 1.00 0.00 N ATOM 208 CA THR A 223 5.137 -4.421 14.106 1.00 0.00 C ATOM 209 C THR A 223 4.665 -5.327 12.974 1.00 0.00 C ATOM 210 O THR A 223 4.908 -6.535 12.991 1.00 0.00 O ATOM 211 CB THR A 223 4.123 -4.444 15.248 1.00 0.00 C ATOM 212 OG1 THR A 223 2.938 -3.759 14.881 1.00 0.00 O ATOM 213 CG2 THR A 223 4.647 -3.809 16.518 1.00 0.00 C ATOM 0 H THR A 223 4.463 -2.515 13.553 1.00 0.00 H new ATOM 0 HA THR A 223 6.095 -4.792 14.470 1.00 0.00 H new ATOM 0 HB THR A 223 3.923 -5.498 15.440 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.301 -3.786 15.625 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.881 -3.856 17.292 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.535 -4.345 16.853 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.904 -2.767 16.325 1.00 0.00 H new ATOM 221 N LYS A 224 3.989 -4.740 11.995 1.00 0.00 N ATOM 222 CA LYS A 224 3.480 -5.495 10.857 1.00 0.00 C ATOM 223 C LYS A 224 4.398 -5.335 9.650 1.00 0.00 C ATOM 224 O LYS A 224 5.006 -4.283 9.459 1.00 0.00 O ATOM 225 CB LYS A 224 2.065 -5.033 10.502 1.00 0.00 C ATOM 226 CG LYS A 224 1.200 -4.706 11.713 1.00 0.00 C ATOM 227 CD LYS A 224 0.560 -5.954 12.298 1.00 0.00 C ATOM 228 CE LYS A 224 1.547 -6.746 13.138 1.00 0.00 C ATOM 229 NZ LYS A 224 0.914 -7.296 14.368 1.00 0.00 N ATOM 0 H LYS A 224 3.780 -3.742 11.966 1.00 0.00 H new ATOM 0 HA LYS A 224 3.450 -6.549 11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.131 -4.150 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.575 -5.812 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.809 -4.218 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.422 -3.999 11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.296 -5.672 12.911 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.181 -6.582 11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 224 1.956 -7.563 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.383 -6.105 13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.621 -7.830 14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.546 -6.515 14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.132 -7.928 14.103 1.00 0.00 H new ATOM 243 N ALA A 225 4.500 -6.384 8.841 1.00 0.00 N ATOM 244 CA ALA A 225 5.347 -6.353 7.653 1.00 0.00 C ATOM 245 C ALA A 225 4.531 -6.596 6.391 1.00 0.00 C ATOM 246 O ALA A 225 3.587 -7.383 6.394 1.00 0.00 O ATOM 247 CB ALA A 225 6.458 -7.383 7.764 1.00 0.00 C ATOM 0 H ALA A 225 4.008 -7.266 8.985 1.00 0.00 H new ATOM 0 HA ALA A 225 5.792 -5.360 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.080 -7.346 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.069 -7.166 8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 225 6.023 -8.378 7.863 1.00 0.00 H new ATOM 253 N GLY A 226 4.906 -5.917 5.313 1.00 0.00 N ATOM 254 CA GLY A 226 4.197 -6.076 4.059 1.00 0.00 C ATOM 255 C GLY A 226 4.844 -5.311 2.922 1.00 0.00 C ATOM 256 O GLY A 226 5.960 -4.811 3.056 1.00 0.00 O ATOM 0 H GLY A 226 5.687 -5.261 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.154 -7.134 3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.169 -5.736 4.182 1.00 0.00 H new ATOM 260 N VAL A 227 4.139 -5.221 1.798 1.00 0.00 N ATOM 261 CA VAL A 227 4.647 -4.512 0.630 1.00 0.00 C ATOM 262 C VAL A 227 3.759 -3.322 0.285 1.00 0.00 C ATOM 263 O VAL A 227 2.534 -3.433 0.270 1.00 0.00 O ATOM 264 CB VAL A 227 4.744 -5.447 -0.594 1.00 0.00 C ATOM 265 CG1 VAL A 227 5.101 -4.663 -1.850 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.757 -6.552 -0.343 1.00 0.00 C ATOM 0 H VAL A 227 3.214 -5.631 1.672 1.00 0.00 H new ATOM 0 HA VAL A 227 5.645 -4.154 0.881 1.00 0.00 H new ATOM 0 HB VAL A 227 3.768 -5.906 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.163 -5.344 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.333 -3.914 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 227 6.063 -4.169 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.811 -7.201 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.737 -6.112 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.450 -7.136 0.524 1.00 0.00 H new ATOM 276 N VAL A 228 4.385 -2.188 -0.004 1.00 0.00 N ATOM 277 CA VAL A 228 3.650 -0.982 -0.360 1.00 0.00 C ATOM 278 C VAL A 228 2.881 -1.184 -1.660 1.00 0.00 C ATOM 279 O VAL A 228 3.437 -1.644 -2.656 1.00 0.00 O ATOM 280 CB VAL A 228 4.594 0.224 -0.508 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.800 1.510 -0.696 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.513 0.322 0.702 1.00 0.00 C ATOM 0 H VAL A 228 5.399 -2.079 0.001 1.00 0.00 H new ATOM 0 HA VAL A 228 2.947 -0.779 0.448 1.00 0.00 H new ATOM 0 HB VAL A 228 5.209 0.079 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.487 2.350 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.187 1.431 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.157 1.671 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.177 1.179 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.914 0.446 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.107 -0.588 0.783 1.00 0.00 H new ATOM 292 N ARG A 229 1.596 -0.849 -1.642 1.00 0.00 N ATOM 293 CA ARG A 229 0.751 -1.008 -2.819 1.00 0.00 C ATOM 294 C ARG A 229 0.215 0.337 -3.299 1.00 0.00 C ATOM 295 O ARG A 229 0.153 0.598 -4.500 1.00 0.00 O ATOM 296 CB ARG A 229 -0.410 -1.955 -2.509 1.00 0.00 C ATOM 297 CG ARG A 229 -0.003 -3.165 -1.683 1.00 0.00 C ATOM 298 CD ARG A 229 1.065 -3.985 -2.386 1.00 0.00 C ATOM 299 NE ARG A 229 0.516 -5.205 -2.972 1.00 0.00 N ATOM 300 CZ ARG A 229 0.158 -5.327 -4.250 1.00 0.00 C ATOM 301 NH1 ARG A 229 0.269 -4.299 -5.083 1.00 0.00 N ATOM 302 NH2 ARG A 229 -0.320 -6.481 -4.695 1.00 0.00 N ATOM 0 H ARG A 229 1.117 -0.466 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 229 1.359 -1.434 -3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.185 -1.405 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -0.850 -2.296 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.369 -2.836 -0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.877 -3.789 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.529 -3.383 -3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.850 -4.245 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 229 0.399 -6.016 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 229 0.631 -3.407 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 229 -0.007 -4.402 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 229 -0.413 -7.273 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 229 -0.595 -6.576 -5.673 1.00 0.00 H new ATOM 316 N PHE A 230 -0.174 1.189 -2.355 1.00 0.00 N ATOM 317 CA PHE A 230 -0.705 2.506 -2.690 1.00 0.00 C ATOM 318 C PHE A 230 -0.318 3.537 -1.636 1.00 0.00 C ATOM 319 O PHE A 230 -0.140 3.205 -0.469 1.00 0.00 O ATOM 320 CB PHE A 230 -2.227 2.444 -2.823 1.00 0.00 C ATOM 321 CG PHE A 230 -2.828 3.678 -3.432 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.581 4.004 -4.756 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.638 4.514 -2.681 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.131 5.138 -5.321 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.192 5.651 -3.240 1.00 0.00 C ATOM 326 CZ PHE A 230 -3.939 5.962 -4.561 1.00 0.00 C ATOM 0 H PHE A 230 -0.132 0.992 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.273 2.811 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.495 1.581 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.663 2.286 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -1.950 3.363 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.839 4.275 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -2.930 5.380 -6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.822 6.295 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.372 6.849 -5.000 1.00 0.00 H new ATOM 336 N LEU A 231 -0.191 4.792 -2.053 1.00 0.00 N ATOM 337 CA LEU A 231 0.169 5.865 -1.133 1.00 0.00 C ATOM 338 C LEU A 231 -0.717 7.087 -1.348 1.00 0.00 C ATOM 339 O LEU A 231 -0.743 7.664 -2.436 1.00 0.00 O ATOM 340 CB LEU A 231 1.641 6.245 -1.304 1.00 0.00 C ATOM 341 CG LEU A 231 2.634 5.101 -1.074 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.463 4.850 -2.324 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.538 5.407 0.111 1.00 0.00 C ATOM 0 H LEU A 231 -0.331 5.091 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 231 0.015 5.503 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.786 6.635 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.875 7.054 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 231 2.067 4.197 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 231 4.162 4.034 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.804 4.584 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 231 4.018 5.752 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.236 4.583 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.095 6.324 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 231 2.932 5.534 1.008 1.00 0.00 H new ATOM 355 N GLY A 232 -1.444 7.477 -0.306 1.00 0.00 N ATOM 356 CA GLY A 232 -2.321 8.629 -0.403 1.00 0.00 C ATOM 357 C GLY A 232 -3.198 8.798 0.822 1.00 0.00 C ATOM 358 O GLY A 232 -3.048 8.073 1.805 1.00 0.00 O ATOM 0 H GLY A 232 -1.441 7.016 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.720 9.528 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.952 8.527 -1.286 1.00 0.00 H new ATOM 362 N GLU A 233 -4.115 9.757 0.764 1.00 0.00 N ATOM 363 CA GLU A 233 -5.017 10.019 1.878 1.00 0.00 C ATOM 364 C GLU A 233 -6.167 9.015 1.895 1.00 0.00 C ATOM 365 O GLU A 233 -6.430 8.342 0.899 1.00 0.00 O ATOM 366 CB GLU A 233 -5.570 11.442 1.792 1.00 0.00 C ATOM 367 CG GLU A 233 -4.505 12.491 1.520 1.00 0.00 C ATOM 368 CD GLU A 233 -4.405 12.855 0.051 1.00 0.00 C ATOM 369 OE1 GLU A 233 -4.784 12.018 -0.794 1.00 0.00 O ATOM 370 OE2 GLU A 233 -3.947 13.977 -0.253 1.00 0.00 O ATOM 0 H GLU A 233 -4.253 10.366 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.450 9.913 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.320 11.485 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.076 11.684 2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.728 13.388 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.540 12.121 1.865 1.00 0.00 H new ATOM 377 N THR A 234 -6.845 8.920 3.033 1.00 0.00 N ATOM 378 CA THR A 234 -7.965 7.999 3.180 1.00 0.00 C ATOM 379 C THR A 234 -9.286 8.755 3.268 1.00 0.00 C ATOM 380 O THR A 234 -9.306 9.960 3.522 1.00 0.00 O ATOM 381 CB THR A 234 -7.778 7.131 4.428 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.952 7.901 5.604 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.415 6.477 4.502 1.00 0.00 C ATOM 0 H THR A 234 -6.638 9.470 3.867 1.00 0.00 H new ATOM 0 HA THR A 234 -7.992 7.358 2.299 1.00 0.00 H new ATOM 0 HB THR A 234 -8.534 6.349 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.780 8.845 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.348 5.877 5.409 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.271 5.837 3.632 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.643 7.246 4.518 1.00 0.00 H new ATOM 391 N ASP A 235 -10.387 8.042 3.055 1.00 0.00 N ATOM 392 CA ASP A 235 -11.714 8.647 3.109 1.00 0.00 C ATOM 393 C ASP A 235 -12.274 8.637 4.531 1.00 0.00 C ATOM 394 O ASP A 235 -13.364 9.153 4.777 1.00 0.00 O ATOM 395 CB ASP A 235 -12.668 7.907 2.169 1.00 0.00 C ATOM 396 CG ASP A 235 -13.616 8.846 1.451 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.235 9.375 0.386 1.00 0.00 O ATOM 398 OD2 ASP A 235 -14.741 9.053 1.955 1.00 0.00 O ATOM 0 H ASP A 235 -10.387 7.044 2.843 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.622 9.685 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.089 7.348 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.245 7.180 2.740 1.00 0.00 H new ATOM 403 N PHE A 236 -11.530 8.051 5.466 1.00 0.00 N ATOM 404 CA PHE A 236 -11.970 7.983 6.857 1.00 0.00 C ATOM 405 C PHE A 236 -10.955 8.638 7.798 1.00 0.00 C ATOM 406 O PHE A 236 -11.278 8.954 8.943 1.00 0.00 O ATOM 407 CB PHE A 236 -12.208 6.525 7.273 1.00 0.00 C ATOM 408 CG PHE A 236 -10.956 5.774 7.642 1.00 0.00 C ATOM 409 CD1 PHE A 236 -9.940 5.589 6.718 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.800 5.257 8.919 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.791 4.901 7.060 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.652 4.569 9.266 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.647 4.390 8.335 1.00 0.00 C ATOM 0 H PHE A 236 -10.624 7.618 5.287 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.907 8.534 6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.891 6.509 8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.704 6.002 6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.047 5.987 5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.583 5.393 9.650 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.006 4.763 6.331 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.541 4.172 10.264 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.750 3.851 8.604 1.00 0.00 H new ATOM 423 N ALA A 237 -9.732 8.836 7.314 1.00 0.00 N ATOM 424 CA ALA A 237 -8.684 9.448 8.121 1.00 0.00 C ATOM 425 C ALA A 237 -8.166 10.731 7.477 1.00 0.00 C ATOM 426 O ALA A 237 -8.023 10.808 6.256 1.00 0.00 O ATOM 427 CB ALA A 237 -7.543 8.467 8.338 1.00 0.00 C ATOM 0 H ALA A 237 -9.444 8.582 6.369 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.114 9.709 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.768 8.938 8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.917 7.582 8.853 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.125 8.176 7.374 1.00 0.00 H new ATOM 433 N LYS A 238 -7.887 11.732 8.304 1.00 0.00 N ATOM 434 CA LYS A 238 -7.382 13.010 7.814 1.00 0.00 C ATOM 435 C LYS A 238 -5.856 13.017 7.780 1.00 0.00 C ATOM 436 O LYS A 238 -5.202 12.820 8.804 1.00 0.00 O ATOM 437 CB LYS A 238 -7.887 14.154 8.695 1.00 0.00 C ATOM 438 CG LYS A 238 -9.389 14.123 8.933 1.00 0.00 C ATOM 439 CD LYS A 238 -9.953 15.522 9.114 1.00 0.00 C ATOM 440 CE LYS A 238 -9.392 16.192 10.358 1.00 0.00 C ATOM 441 NZ LYS A 238 -9.603 15.364 11.578 1.00 0.00 N ATOM 0 H LYS A 238 -8.002 11.684 9.316 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.751 13.151 6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.375 14.114 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -7.621 15.104 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -9.882 13.637 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -9.606 13.525 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -9.719 16.126 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -11.039 15.471 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -8.326 16.374 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -9.867 17.164 10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -9.445 15.947 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -10.577 14.999 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -8.935 14.567 11.577 1.00 0.00 H new ATOM 455 N GLY A 239 -5.296 13.243 6.595 1.00 0.00 N ATOM 456 CA GLY A 239 -3.852 13.272 6.452 1.00 0.00 C ATOM 457 C GLY A 239 -3.355 12.331 5.371 1.00 0.00 C ATOM 458 O GLY A 239 -4.137 11.855 4.547 1.00 0.00 O ATOM 0 H GLY A 239 -5.816 13.406 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.534 14.288 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.391 13.004 7.403 1.00 0.00 H new ATOM 462 N GLU A 240 -2.055 12.061 5.376 1.00 0.00 N ATOM 463 CA GLU A 240 -1.454 11.171 4.390 1.00 0.00 C ATOM 464 C GLU A 240 -1.351 9.749 4.933 1.00 0.00 C ATOM 465 O GLU A 240 -0.933 9.537 6.071 1.00 0.00 O ATOM 466 CB GLU A 240 -0.066 11.678 3.991 1.00 0.00 C ATOM 467 CG GLU A 240 0.929 11.696 5.140 1.00 0.00 C ATOM 468 CD GLU A 240 2.273 12.270 4.738 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.295 13.212 3.916 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.304 11.779 5.241 1.00 0.00 O ATOM 0 H GLU A 240 -1.396 12.446 6.053 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.096 11.160 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.326 11.048 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.159 12.686 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.519 12.283 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 240 1.068 10.681 5.511 1.00 0.00 H new ATOM 477 N TRP A 241 -1.738 8.779 4.111 1.00 0.00 N ATOM 478 CA TRP A 241 -1.691 7.375 4.510 1.00 0.00 C ATOM 479 C TRP A 241 -1.084 6.515 3.406 1.00 0.00 C ATOM 480 O TRP A 241 -0.888 6.978 2.283 1.00 0.00 O ATOM 481 CB TRP A 241 -3.096 6.877 4.853 1.00 0.00 C ATOM 482 CG TRP A 241 -3.683 7.551 6.056 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.171 8.824 6.124 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.838 6.990 7.363 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.622 9.088 7.396 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.428 7.977 8.174 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.536 5.747 7.926 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.721 7.760 9.518 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.827 5.533 9.260 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.415 6.534 10.043 1.00 0.00 C ATOM 0 H TRP A 241 -2.087 8.938 3.166 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.059 7.293 5.394 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.751 7.040 3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.061 5.802 5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.199 9.521 5.300 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -5.034 9.967 7.709 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.084 4.968 7.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.173 8.531 10.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.597 4.577 9.706 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.631 6.334 11.082 1.00 0.00 H new ATOM 501 N CYS A 242 -0.785 5.263 3.734 1.00 0.00 N ATOM 502 CA CYS A 242 -0.197 4.343 2.766 1.00 0.00 C ATOM 503 C CYS A 242 -0.789 2.944 2.907 1.00 0.00 C ATOM 504 O CYS A 242 -1.286 2.568 3.969 1.00 0.00 O ATOM 505 CB CYS A 242 1.324 4.289 2.936 1.00 0.00 C ATOM 506 SG CYS A 242 2.154 3.106 1.847 1.00 0.00 S ATOM 0 H CYS A 242 -0.939 4.862 4.659 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.430 4.714 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.734 5.282 2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.553 4.035 3.971 1.00 0.00 H new ATOM 0 HG CYS A 242 1.482 2.990 0.740 1.00 0.00 H new ATOM 512 N GLY A 243 -0.730 2.182 1.822 1.00 0.00 N ATOM 513 CA GLY A 243 -1.254 0.830 1.820 1.00 0.00 C ATOM 514 C GLY A 243 -0.159 -0.206 1.690 1.00 0.00 C ATOM 515 O GLY A 243 0.649 -0.147 0.764 1.00 0.00 O ATOM 0 H GLY A 243 -0.324 2.480 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.809 0.656 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.959 0.716 0.997 1.00 0.00 H new ATOM 519 N VAL A 244 -0.128 -1.157 2.616 1.00 0.00 N ATOM 520 CA VAL A 244 0.882 -2.206 2.593 1.00 0.00 C ATOM 521 C VAL A 244 0.242 -3.587 2.693 1.00 0.00 C ATOM 522 O VAL A 244 -0.608 -3.827 3.551 1.00 0.00 O ATOM 523 CB VAL A 244 1.894 -2.045 3.749 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.130 -2.896 3.503 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.278 -0.585 3.939 1.00 0.00 C ATOM 0 H VAL A 244 -0.789 -1.223 3.390 1.00 0.00 H new ATOM 0 HA VAL A 244 1.407 -2.113 1.642 1.00 0.00 H new ATOM 0 HB VAL A 244 1.415 -2.390 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.830 -2.768 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.841 -3.945 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.606 -2.586 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 244 2.991 -0.500 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.731 -0.206 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.387 -0.002 4.171 1.00 0.00 H new ATOM 535 N GLU A 245 0.663 -4.493 1.817 1.00 0.00 N ATOM 536 CA GLU A 245 0.138 -5.852 1.815 1.00 0.00 C ATOM 537 C GLU A 245 0.894 -6.703 2.828 1.00 0.00 C ATOM 538 O GLU A 245 2.074 -6.999 2.646 1.00 0.00 O ATOM 539 CB GLU A 245 0.255 -6.467 0.419 1.00 0.00 C ATOM 540 CG GLU A 245 -0.275 -7.889 0.335 1.00 0.00 C ATOM 541 CD GLU A 245 -0.250 -8.439 -1.078 1.00 0.00 C ATOM 542 OE1 GLU A 245 -0.241 -7.628 -2.030 1.00 0.00 O ATOM 543 OE2 GLU A 245 -0.241 -9.677 -1.235 1.00 0.00 O ATOM 0 H GLU A 245 1.365 -4.310 1.100 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.915 -5.821 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.288 -5.843 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.301 -6.459 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.320 -8.533 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.297 -7.915 0.713 1.00 0.00 H new ATOM 550 N LEU A 246 0.212 -7.078 3.902 1.00 0.00 N ATOM 551 CA LEU A 246 0.827 -7.877 4.952 1.00 0.00 C ATOM 552 C LEU A 246 1.158 -9.282 4.465 1.00 0.00 C ATOM 553 O LEU A 246 0.420 -9.869 3.673 1.00 0.00 O ATOM 554 CB LEU A 246 -0.095 -7.951 6.170 1.00 0.00 C ATOM 555 CG LEU A 246 -0.454 -6.601 6.791 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.597 -6.756 7.783 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.763 -5.984 7.465 1.00 0.00 C ATOM 0 H LEU A 246 -0.766 -6.842 4.068 1.00 0.00 H new ATOM 0 HA LEU A 246 1.760 -7.390 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.016 -8.457 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.382 -8.569 6.931 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.781 -5.932 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.838 -5.785 8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.473 -7.153 7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.300 -7.442 8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.489 -5.024 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.121 -6.650 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.551 -5.836 6.727 1.00 0.00 H new ATOM 569 N ASP A 247 2.279 -9.811 4.944 1.00 0.00 N ATOM 570 CA ASP A 247 2.725 -11.145 4.566 1.00 0.00 C ATOM 571 C ASP A 247 1.804 -12.219 5.138 1.00 0.00 C ATOM 572 O ASP A 247 1.726 -13.328 4.611 1.00 0.00 O ATOM 573 CB ASP A 247 4.159 -11.374 5.049 1.00 0.00 C ATOM 574 CG ASP A 247 5.186 -10.743 4.129 1.00 0.00 C ATOM 575 OD1 ASP A 247 4.847 -9.750 3.452 1.00 0.00 O ATOM 576 OD2 ASP A 247 6.331 -11.243 4.085 1.00 0.00 O ATOM 0 H ASP A 247 2.898 -9.332 5.598 1.00 0.00 H new ATOM 0 HA ASP A 247 2.694 -11.217 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.272 -10.962 6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.349 -12.445 5.121 1.00 0.00 H new ATOM 581 N GLU A 248 1.108 -11.885 6.223 1.00 0.00 N ATOM 582 CA GLU A 248 0.195 -12.824 6.865 1.00 0.00 C ATOM 583 C GLU A 248 -1.101 -12.126 7.275 1.00 0.00 C ATOM 584 O GLU A 248 -1.186 -10.898 7.248 1.00 0.00 O ATOM 585 CB GLU A 248 0.863 -13.455 8.089 1.00 0.00 C ATOM 586 CG GLU A 248 1.354 -14.874 7.849 1.00 0.00 C ATOM 587 CD GLU A 248 2.867 -14.969 7.806 1.00 0.00 C ATOM 588 OE1 GLU A 248 3.507 -14.731 8.851 1.00 0.00 O ATOM 589 OE2 GLU A 248 3.410 -15.283 6.727 1.00 0.00 O ATOM 0 H GLU A 248 1.160 -10.972 6.674 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.049 -13.609 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.706 -12.834 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.155 -13.459 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 248 0.975 -15.524 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 248 0.944 -15.242 6.909 1.00 0.00 H new ATOM 596 N PRO A 249 -2.132 -12.902 7.661 1.00 0.00 N ATOM 597 CA PRO A 249 -3.424 -12.346 8.077 1.00 0.00 C ATOM 598 C PRO A 249 -3.313 -11.537 9.364 1.00 0.00 C ATOM 599 O PRO A 249 -3.787 -11.957 10.420 1.00 0.00 O ATOM 600 CB PRO A 249 -4.300 -13.584 8.293 1.00 0.00 C ATOM 601 CG PRO A 249 -3.340 -14.696 8.537 1.00 0.00 C ATOM 602 CD PRO A 249 -2.119 -14.374 7.722 1.00 0.00 C ATOM 0 HA PRO A 249 -3.826 -11.654 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.972 -13.449 9.141 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -4.923 -13.784 7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.093 -14.773 9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.767 -15.653 8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.210 -14.749 8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -2.170 -14.818 6.728 1.00 0.00 H new ATOM 610 N LEU A 250 -2.681 -10.372 9.268 1.00 0.00 N ATOM 611 CA LEU A 250 -2.502 -9.499 10.422 1.00 0.00 C ATOM 612 C LEU A 250 -3.014 -8.089 10.132 1.00 0.00 C ATOM 613 O LEU A 250 -2.583 -7.123 10.762 1.00 0.00 O ATOM 614 CB LEU A 250 -1.025 -9.445 10.821 1.00 0.00 C ATOM 615 CG LEU A 250 -0.035 -9.409 9.650 1.00 0.00 C ATOM 616 CD1 LEU A 250 0.886 -8.204 9.760 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.775 -10.695 9.596 1.00 0.00 C ATOM 0 H LEU A 250 -2.284 -10.010 8.401 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.083 -9.911 11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.864 -8.562 11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.800 -10.313 11.440 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.605 -9.320 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.580 -8.198 8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.292 -7.290 9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.447 -8.259 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.472 -10.651 8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.331 -10.814 10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.103 -11.543 9.465 1.00 0.00 H new ATOM 629 N GLY A 251 -3.935 -7.979 9.180 1.00 0.00 N ATOM 630 CA GLY A 251 -4.485 -6.683 8.831 1.00 0.00 C ATOM 631 C GLY A 251 -5.904 -6.501 9.336 1.00 0.00 C ATOM 632 O GLY A 251 -6.383 -7.289 10.151 1.00 0.00 O ATOM 0 H GLY A 251 -4.309 -8.763 8.645 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.851 -5.899 9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.470 -6.565 7.748 1.00 0.00 H new ATOM 636 N LYS A 252 -6.575 -5.458 8.855 1.00 0.00 N ATOM 637 CA LYS A 252 -7.946 -5.177 9.270 1.00 0.00 C ATOM 638 C LYS A 252 -8.903 -5.226 8.082 1.00 0.00 C ATOM 639 O LYS A 252 -10.052 -5.648 8.218 1.00 0.00 O ATOM 640 CB LYS A 252 -8.025 -3.805 9.945 1.00 0.00 C ATOM 641 CG LYS A 252 -6.868 -3.519 10.887 1.00 0.00 C ATOM 642 CD LYS A 252 -6.996 -4.303 12.182 1.00 0.00 C ATOM 643 CE LYS A 252 -5.657 -4.436 12.888 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.807 -4.441 14.369 1.00 0.00 N ATOM 0 H LYS A 252 -6.193 -4.796 8.180 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.245 -5.946 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -8.055 -3.033 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.960 -3.737 10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.928 -3.774 10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.833 -2.452 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.708 -3.806 12.841 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.397 -5.294 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -5.169 -5.357 12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.007 -3.612 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.871 -4.533 14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.249 -3.551 14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.406 -5.242 14.655 1.00 0.00 H new ATOM 658 N ASN A 253 -8.428 -4.788 6.920 1.00 0.00 N ATOM 659 CA ASN A 253 -9.250 -4.781 5.715 1.00 0.00 C ATOM 660 C ASN A 253 -8.614 -5.617 4.610 1.00 0.00 C ATOM 661 O ASN A 253 -7.446 -5.998 4.696 1.00 0.00 O ATOM 662 CB ASN A 253 -9.461 -3.346 5.227 1.00 0.00 C ATOM 663 CG ASN A 253 -8.162 -2.672 4.832 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.876 -2.492 3.648 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.364 -2.297 5.826 1.00 0.00 N ATOM 0 H ASN A 253 -7.481 -4.434 6.788 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.215 -5.222 5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -10.138 -3.352 4.373 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.944 -2.765 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.475 -1.840 5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.640 -2.466 6.793 1.00 0.00 H new ATOM 672 N ASP A 254 -9.394 -5.900 3.570 1.00 0.00 N ATOM 673 CA ASP A 254 -8.912 -6.693 2.444 1.00 0.00 C ATOM 674 C ASP A 254 -8.457 -5.795 1.297 1.00 0.00 C ATOM 675 O ASP A 254 -8.462 -6.206 0.135 1.00 0.00 O ATOM 676 CB ASP A 254 -10.009 -7.641 1.957 1.00 0.00 C ATOM 677 CG ASP A 254 -11.238 -6.903 1.465 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.293 -6.578 0.261 1.00 0.00 O ATOM 679 OD2 ASP A 254 -12.145 -6.648 2.285 1.00 0.00 O ATOM 0 H ASP A 254 -10.362 -5.592 3.484 1.00 0.00 H new ATOM 0 HA ASP A 254 -8.057 -7.277 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.616 -8.263 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.292 -8.311 2.769 1.00 0.00 H new ATOM 684 N GLY A 255 -8.057 -4.570 1.626 1.00 0.00 N ATOM 685 CA GLY A 255 -7.601 -3.641 0.609 1.00 0.00 C ATOM 686 C GLY A 255 -8.607 -2.541 0.321 1.00 0.00 C ATOM 687 O GLY A 255 -8.525 -1.873 -0.709 1.00 0.00 O ATOM 0 H GLY A 255 -8.041 -4.205 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.661 -3.192 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.396 -4.189 -0.311 1.00 0.00 H new ATOM 691 N ALA A 256 -9.558 -2.352 1.230 1.00 0.00 N ATOM 692 CA ALA A 256 -10.579 -1.324 1.063 1.00 0.00 C ATOM 693 C ALA A 256 -10.842 -0.594 2.376 1.00 0.00 C ATOM 694 O ALA A 256 -10.588 -1.128 3.456 1.00 0.00 O ATOM 695 CB ALA A 256 -11.865 -1.937 0.530 1.00 0.00 C ATOM 0 H ALA A 256 -9.643 -2.896 2.088 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.211 -0.596 0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.617 -1.157 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.672 -2.406 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.228 -2.688 1.232 1.00 0.00 H new ATOM 701 N VAL A 257 -11.351 0.629 2.277 1.00 0.00 N ATOM 702 CA VAL A 257 -11.645 1.433 3.456 1.00 0.00 C ATOM 703 C VAL A 257 -12.906 2.267 3.252 1.00 0.00 C ATOM 704 O VAL A 257 -12.992 3.066 2.319 1.00 0.00 O ATOM 705 CB VAL A 257 -10.471 2.368 3.804 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.757 3.142 5.084 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.177 1.577 3.930 1.00 0.00 C ATOM 0 H VAL A 257 -11.569 1.085 1.391 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.803 0.740 4.282 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.355 3.087 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.914 3.796 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.657 3.743 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.904 2.443 5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.359 2.254 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.281 0.832 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.963 1.077 2.985 1.00 0.00 H new ATOM 717 N ALA A 258 -13.884 2.078 4.135 1.00 0.00 N ATOM 718 CA ALA A 258 -15.141 2.812 4.057 1.00 0.00 C ATOM 719 C ALA A 258 -15.818 2.606 2.705 1.00 0.00 C ATOM 720 O ALA A 258 -16.533 3.481 2.218 1.00 0.00 O ATOM 721 CB ALA A 258 -14.901 4.294 4.305 1.00 0.00 C ATOM 0 H ALA A 258 -13.828 1.421 4.913 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.806 2.425 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.848 4.831 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.469 4.432 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.214 4.682 3.553 1.00 0.00 H new ATOM 727 N GLY A 259 -15.587 1.443 2.104 1.00 0.00 N ATOM 728 CA GLY A 259 -16.180 1.145 0.814 1.00 0.00 C ATOM 729 C GLY A 259 -15.329 1.624 -0.348 1.00 0.00 C ATOM 730 O GLY A 259 -15.785 1.644 -1.490 1.00 0.00 O ATOM 0 H GLY A 259 -15.000 0.702 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.331 0.069 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.164 1.611 0.755 1.00 0.00 H new ATOM 734 N THR A 260 -14.089 2.010 -0.057 1.00 0.00 N ATOM 735 CA THR A 260 -13.177 2.488 -1.089 1.00 0.00 C ATOM 736 C THR A 260 -11.965 1.571 -1.208 1.00 0.00 C ATOM 737 O THR A 260 -11.157 1.469 -0.284 1.00 0.00 O ATOM 738 CB THR A 260 -12.722 3.915 -0.775 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.838 4.768 -0.598 1.00 0.00 O ATOM 740 CG2 THR A 260 -11.850 4.516 -1.855 1.00 0.00 C ATOM 0 H THR A 260 -13.695 2.001 0.884 1.00 0.00 H new ATOM 0 HA THR A 260 -13.709 2.485 -2.040 1.00 0.00 H new ATOM 0 HB THR A 260 -12.135 3.837 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.527 5.675 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.563 5.528 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 260 -10.955 3.907 -1.981 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.403 4.547 -2.794 1.00 0.00 H new ATOM 748 N ARG A 261 -11.842 0.903 -2.350 1.00 0.00 N ATOM 749 CA ARG A 261 -10.728 -0.005 -2.589 1.00 0.00 C ATOM 750 C ARG A 261 -9.538 0.741 -3.183 1.00 0.00 C ATOM 751 O ARG A 261 -9.594 1.218 -4.317 1.00 0.00 O ATOM 752 CB ARG A 261 -11.157 -1.137 -3.524 1.00 0.00 C ATOM 753 CG ARG A 261 -10.048 -2.133 -3.826 1.00 0.00 C ATOM 754 CD ARG A 261 -10.326 -2.904 -5.107 1.00 0.00 C ATOM 755 NE ARG A 261 -10.143 -2.076 -6.296 1.00 0.00 N ATOM 756 CZ ARG A 261 -10.653 -2.369 -7.490 1.00 0.00 C ATOM 757 NH1 ARG A 261 -11.376 -3.469 -7.659 1.00 0.00 N ATOM 758 NH2 ARG A 261 -10.439 -1.560 -8.519 1.00 0.00 N ATOM 0 H ARG A 261 -12.501 0.974 -3.125 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.425 -0.431 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.998 -1.667 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.513 -0.708 -4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -9.098 -1.606 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.948 -2.831 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.663 -3.767 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -11.346 -3.287 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 261 -9.592 -1.223 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -11.543 -4.095 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -11.764 -3.688 -8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -9.884 -0.713 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -10.830 -1.784 -9.434 1.00 0.00 H new ATOM 772 N TYR A 262 -8.462 0.840 -2.410 1.00 0.00 N ATOM 773 CA TYR A 262 -7.258 1.527 -2.859 1.00 0.00 C ATOM 774 C TYR A 262 -6.341 0.577 -3.620 1.00 0.00 C ATOM 775 O TYR A 262 -5.670 0.975 -4.572 1.00 0.00 O ATOM 776 CB TYR A 262 -6.517 2.131 -1.665 1.00 0.00 C ATOM 777 CG TYR A 262 -7.274 3.253 -0.989 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.321 2.984 -0.116 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.944 4.581 -1.226 1.00 0.00 C ATOM 780 CE1 TYR A 262 -9.016 4.006 0.502 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.634 5.608 -0.613 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.669 5.316 0.250 1.00 0.00 C ATOM 783 OH TYR A 262 -9.359 6.337 0.863 1.00 0.00 O ATOM 0 H TYR A 262 -8.400 0.453 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.556 2.329 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.319 1.346 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.550 2.506 -2.000 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.596 1.959 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -6.134 4.814 -1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.827 3.780 1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.364 6.635 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.283 6.055 1.027 1.00 0.00 H new ATOM 793 N PHE A 263 -6.320 -0.682 -3.194 1.00 0.00 N ATOM 794 CA PHE A 263 -5.488 -1.694 -3.837 1.00 0.00 C ATOM 795 C PHE A 263 -6.066 -3.087 -3.620 1.00 0.00 C ATOM 796 O PHE A 263 -6.994 -3.269 -2.830 1.00 0.00 O ATOM 797 CB PHE A 263 -4.058 -1.629 -3.296 1.00 0.00 C ATOM 798 CG PHE A 263 -3.986 -1.537 -1.800 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.147 -0.319 -1.160 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.754 -2.667 -1.031 1.00 0.00 C ATOM 801 CE1 PHE A 263 -4.080 -0.229 0.216 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.686 -2.583 0.346 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.848 -1.363 0.971 1.00 0.00 C ATOM 0 H PHE A 263 -6.869 -1.026 -2.406 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.471 -1.490 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.514 -2.515 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.553 -0.766 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.327 0.571 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.625 -3.624 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.209 0.727 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.506 -3.471 0.933 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.794 -1.295 2.047 1.00 0.00 H new ATOM 813 N GLN A 264 -5.513 -4.070 -4.323 1.00 0.00 N ATOM 814 CA GLN A 264 -5.977 -5.448 -4.205 1.00 0.00 C ATOM 815 C GLN A 264 -4.993 -6.284 -3.393 1.00 0.00 C ATOM 816 O GLN A 264 -3.793 -6.285 -3.665 1.00 0.00 O ATOM 817 CB GLN A 264 -6.166 -6.065 -5.592 1.00 0.00 C ATOM 818 CG GLN A 264 -6.960 -7.361 -5.577 1.00 0.00 C ATOM 819 CD GLN A 264 -8.405 -7.155 -5.164 1.00 0.00 C ATOM 820 OE1 GLN A 264 -9.246 -6.768 -5.976 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.701 -7.413 -3.895 1.00 0.00 N ATOM 0 H GLN A 264 -4.744 -3.938 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.935 -5.440 -3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.673 -5.345 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -5.187 -6.253 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.930 -7.812 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.487 -8.065 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -7.973 -7.732 -3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.657 -7.292 -3.560 1.00 0.00 H new ATOM 830 N CYS A 265 -5.510 -6.992 -2.394 1.00 0.00 N ATOM 831 CA CYS A 265 -4.675 -7.833 -1.543 1.00 0.00 C ATOM 832 C CYS A 265 -5.483 -8.974 -0.936 1.00 0.00 C ATOM 833 O CYS A 265 -6.714 -8.951 -0.943 1.00 0.00 O ATOM 834 CB CYS A 265 -4.039 -6.995 -0.433 1.00 0.00 C ATOM 835 SG CYS A 265 -5.215 -5.973 0.485 1.00 0.00 S ATOM 0 H CYS A 265 -6.501 -7.000 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.888 -8.264 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.531 -7.661 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.277 -6.350 -0.871 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.825 -4.733 0.460 1.00 0.00 H new ATOM 841 N GLN A 266 -4.780 -9.971 -0.409 1.00 0.00 N ATOM 842 CA GLN A 266 -5.427 -11.124 0.208 1.00 0.00 C ATOM 843 C GLN A 266 -6.287 -10.696 1.395 1.00 0.00 C ATOM 844 O GLN A 266 -6.162 -9.574 1.888 1.00 0.00 O ATOM 845 CB GLN A 266 -4.370 -12.134 0.665 1.00 0.00 C ATOM 846 CG GLN A 266 -4.015 -13.166 -0.394 1.00 0.00 C ATOM 847 CD GLN A 266 -5.228 -13.904 -0.922 1.00 0.00 C ATOM 848 OE1 GLN A 266 -5.655 -14.909 -0.351 1.00 0.00 O ATOM 849 NE2 GLN A 266 -5.791 -13.410 -2.019 1.00 0.00 N ATOM 0 H GLN A 266 -3.761 -10.004 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.075 -11.591 -0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.467 -11.596 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.732 -12.649 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -3.507 -12.671 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.312 -13.885 0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -5.404 -12.575 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -6.610 -13.865 -2.421 1.00 0.00 H new ATOM 858 N PRO A 267 -7.176 -11.584 1.875 1.00 0.00 N ATOM 859 CA PRO A 267 -8.051 -11.282 3.011 1.00 0.00 C ATOM 860 C PRO A 267 -7.263 -11.051 4.297 1.00 0.00 C ATOM 861 O PRO A 267 -6.376 -11.833 4.641 1.00 0.00 O ATOM 862 CB PRO A 267 -8.929 -12.533 3.137 1.00 0.00 C ATOM 863 CG PRO A 267 -8.159 -13.614 2.460 1.00 0.00 C ATOM 864 CD PRO A 267 -7.397 -12.944 1.353 1.00 0.00 C ATOM 0 HA PRO A 267 -8.620 -10.366 2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.119 -12.778 4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.899 -12.384 2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -7.482 -14.107 3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -8.826 -14.381 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.456 -13.454 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.965 -12.931 0.423 1.00 0.00 H new ATOM 872 N LYS A 268 -7.589 -9.972 4.998 1.00 0.00 N ATOM 873 CA LYS A 268 -6.910 -9.634 6.244 1.00 0.00 C ATOM 874 C LYS A 268 -5.433 -9.325 6.003 1.00 0.00 C ATOM 875 O LYS A 268 -4.631 -9.323 6.936 1.00 0.00 O ATOM 876 CB LYS A 268 -7.043 -10.779 7.250 1.00 0.00 C ATOM 877 CG LYS A 268 -8.463 -11.299 7.396 1.00 0.00 C ATOM 878 CD LYS A 268 -9.310 -10.374 8.255 1.00 0.00 C ATOM 879 CE LYS A 268 -10.704 -10.937 8.472 1.00 0.00 C ATOM 880 NZ LYS A 268 -11.501 -10.946 7.214 1.00 0.00 N ATOM 0 H LYS A 268 -8.320 -9.315 4.725 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.385 -8.741 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.395 -11.599 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.687 -10.440 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -8.918 -11.400 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.443 -12.294 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.823 -10.223 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -9.381 -9.397 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -10.629 -11.952 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -11.222 -10.344 9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -12.472 -11.257 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -11.523 -9.988 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -11.066 -11.599 6.532 1.00 0.00 H new ATOM 894 N TYR A 269 -5.080 -9.059 4.747 1.00 0.00 N ATOM 895 CA TYR A 269 -3.700 -8.745 4.392 1.00 0.00 C ATOM 896 C TYR A 269 -3.542 -7.266 4.041 1.00 0.00 C ATOM 897 O TYR A 269 -2.455 -6.821 3.672 1.00 0.00 O ATOM 898 CB TYR A 269 -3.246 -9.604 3.206 1.00 0.00 C ATOM 899 CG TYR A 269 -2.741 -10.975 3.598 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.370 -11.715 4.593 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.636 -11.532 2.967 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.910 -12.970 4.947 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.170 -12.785 3.318 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.810 -13.500 4.306 1.00 0.00 C ATOM 905 OH TYR A 269 -1.352 -14.749 4.657 1.00 0.00 O ATOM 0 H TYR A 269 -5.730 -9.055 3.961 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.077 -8.964 5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.080 -9.719 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.457 -9.077 2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.232 -11.303 5.097 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.133 -10.977 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.410 -13.532 5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.307 -13.202 2.819 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.571 -14.976 4.111 1.00 0.00 H new ATOM 915 N GLY A 270 -4.630 -6.505 4.153 1.00 0.00 N ATOM 916 CA GLY A 270 -4.577 -5.090 3.839 1.00 0.00 C ATOM 917 C GLY A 270 -4.455 -4.220 5.073 1.00 0.00 C ATOM 918 O GLY A 270 -5.350 -4.201 5.920 1.00 0.00 O ATOM 0 H GLY A 270 -5.543 -6.844 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.729 -4.900 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.476 -4.810 3.290 1.00 0.00 H new ATOM 922 N LEU A 271 -3.347 -3.495 5.174 1.00 0.00 N ATOM 923 CA LEU A 271 -3.108 -2.612 6.309 1.00 0.00 C ATOM 924 C LEU A 271 -2.826 -1.191 5.832 1.00 0.00 C ATOM 925 O LEU A 271 -2.020 -0.979 4.927 1.00 0.00 O ATOM 926 CB LEU A 271 -1.938 -3.130 7.148 1.00 0.00 C ATOM 927 CG LEU A 271 -2.015 -2.806 8.641 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.249 -3.442 9.265 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.755 -3.274 9.353 1.00 0.00 C ATOM 0 H LEU A 271 -2.598 -3.502 4.481 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.005 -2.598 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.878 -4.212 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.013 -2.714 6.749 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.093 -1.725 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.286 -3.200 10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.144 -3.058 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.203 -4.524 9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -0.827 -3.035 10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.646 -4.352 9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.112 -2.771 8.926 1.00 0.00 H new ATOM 941 N PHE A 272 -3.508 -0.222 6.434 1.00 0.00 N ATOM 942 CA PHE A 272 -3.342 1.177 6.057 1.00 0.00 C ATOM 943 C PHE A 272 -2.651 1.975 7.161 1.00 0.00 C ATOM 944 O PHE A 272 -3.221 2.186 8.229 1.00 0.00 O ATOM 945 CB PHE A 272 -4.706 1.802 5.754 1.00 0.00 C ATOM 946 CG PHE A 272 -5.274 1.400 4.422 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.420 0.062 4.090 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.669 2.361 3.506 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.946 -0.308 2.868 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.197 1.996 2.283 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.337 0.660 1.964 1.00 0.00 C ATOM 0 H PHE A 272 -4.180 -0.380 7.185 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.714 1.209 5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.408 1.518 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.613 2.888 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.119 -0.699 4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.563 3.408 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.052 -1.354 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.500 2.755 1.577 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.752 0.372 1.009 1.00 0.00 H new ATOM 961 N ALA A 273 -1.431 2.432 6.890 1.00 0.00 N ATOM 962 CA ALA A 273 -0.679 3.223 7.860 1.00 0.00 C ATOM 963 C ALA A 273 0.101 4.339 7.172 1.00 0.00 C ATOM 964 O ALA A 273 0.529 4.197 6.027 1.00 0.00 O ATOM 965 CB ALA A 273 0.262 2.344 8.672 1.00 0.00 C ATOM 0 H ALA A 273 -0.943 2.269 6.009 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.399 3.677 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.809 2.959 9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.316 1.592 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.967 1.851 8.003 1.00 0.00 H new ATOM 971 N PRO A 274 0.294 5.472 7.868 1.00 0.00 N ATOM 972 CA PRO A 274 1.022 6.624 7.331 1.00 0.00 C ATOM 973 C PRO A 274 2.352 6.237 6.696 1.00 0.00 C ATOM 974 O PRO A 274 2.879 5.151 6.943 1.00 0.00 O ATOM 975 CB PRO A 274 1.266 7.490 8.564 1.00 0.00 C ATOM 976 CG PRO A 274 0.155 7.153 9.496 1.00 0.00 C ATOM 977 CD PRO A 274 -0.190 5.712 9.239 1.00 0.00 C ATOM 0 HA PRO A 274 0.461 7.119 6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.236 7.275 9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.260 8.550 8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.459 7.301 10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.707 7.796 9.321 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.296 5.051 9.956 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.263 5.537 9.321 1.00 0.00 H new ATOM 985 N VAL A 275 2.895 7.138 5.883 1.00 0.00 N ATOM 986 CA VAL A 275 4.167 6.897 5.218 1.00 0.00 C ATOM 987 C VAL A 275 5.320 6.937 6.219 1.00 0.00 C ATOM 988 O VAL A 275 6.275 6.168 6.111 1.00 0.00 O ATOM 989 CB VAL A 275 4.425 7.932 4.104 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.483 9.339 4.679 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.705 7.601 3.350 1.00 0.00 C ATOM 0 H VAL A 275 2.472 8.041 5.670 1.00 0.00 H new ATOM 0 HA VAL A 275 4.112 5.905 4.770 1.00 0.00 H new ATOM 0 HB VAL A 275 3.595 7.889 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.666 10.053 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.535 9.573 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.289 9.400 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.869 8.343 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.547 7.610 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.616 6.613 2.899 1.00 0.00 H new ATOM 1001 N HIS A 276 5.219 7.834 7.196 1.00 0.00 N ATOM 1002 CA HIS A 276 6.253 7.965 8.218 1.00 0.00 C ATOM 1003 C HIS A 276 6.204 6.792 9.192 1.00 0.00 C ATOM 1004 O HIS A 276 7.215 6.433 9.796 1.00 0.00 O ATOM 1005 CB HIS A 276 6.106 9.287 8.978 1.00 0.00 C ATOM 1006 CG HIS A 276 4.693 9.636 9.332 1.00 0.00 C ATOM 1007 ND1 HIS A 276 4.146 10.881 9.105 1.00 0.00 N ATOM 1008 CD2 HIS A 276 3.713 8.897 9.904 1.00 0.00 C ATOM 1009 CE1 HIS A 276 2.892 10.894 9.523 1.00 0.00 C ATOM 1010 NE2 HIS A 276 2.606 9.702 10.011 1.00 0.00 N ATOM 0 H HIS A 276 4.435 8.478 7.302 1.00 0.00 H new ATOM 0 HA HIS A 276 7.220 7.960 7.716 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.696 9.235 9.893 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.526 10.090 8.373 1.00 0.00 H new ATOM 0 HD2 HIS A 276 3.788 7.866 10.218 1.00 0.00 H new ATOM 0 HE1 HIS A 276 2.217 11.736 9.474 1.00 0.00 H new ATOM 0 HE2 HIS A 276 1.707 9.423 10.404 1.00 0.00 H new ATOM 1019 N LYS A 277 5.026 6.188 9.333 1.00 0.00 N ATOM 1020 CA LYS A 277 4.856 5.047 10.224 1.00 0.00 C ATOM 1021 C LYS A 277 5.400 3.777 9.583 1.00 0.00 C ATOM 1022 O LYS A 277 5.690 2.798 10.272 1.00 0.00 O ATOM 1023 CB LYS A 277 3.379 4.851 10.571 1.00 0.00 C ATOM 1024 CG LYS A 277 2.882 5.764 11.679 1.00 0.00 C ATOM 1025 CD LYS A 277 2.464 4.971 12.906 1.00 0.00 C ATOM 1026 CE LYS A 277 3.612 4.812 13.890 1.00 0.00 C ATOM 1027 NZ LYS A 277 4.762 4.079 13.293 1.00 0.00 N ATOM 0 H LYS A 277 4.178 6.470 8.842 1.00 0.00 H new ATOM 0 HA LYS A 277 5.414 5.250 11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.780 5.021 9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.220 3.815 10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.667 6.470 11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 277 2.037 6.350 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.630 5.473 13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 277 2.108 3.987 12.600 1.00 0.00 H new ATOM 0 HE2 LYS A 277 3.943 5.796 14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 277 3.261 4.278 14.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 5.162 3.427 13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.437 3.538 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 5.491 4.759 12.997 1.00 0.00 H new ATOM 1041 N VAL A 278 5.534 3.797 8.261 1.00 0.00 N ATOM 1042 CA VAL A 278 6.043 2.644 7.532 1.00 0.00 C ATOM 1043 C VAL A 278 7.533 2.783 7.246 1.00 0.00 C ATOM 1044 O VAL A 278 8.017 3.870 6.931 1.00 0.00 O ATOM 1045 CB VAL A 278 5.294 2.436 6.202 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.711 1.127 5.556 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.791 2.468 6.418 1.00 0.00 C ATOM 0 H VAL A 278 5.297 4.598 7.675 1.00 0.00 H new ATOM 0 HA VAL A 278 5.878 1.776 8.170 1.00 0.00 H new ATOM 0 HB VAL A 278 5.559 3.253 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.172 0.996 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.783 1.144 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.478 0.300 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.283 2.319 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.506 1.675 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.504 3.433 6.835 1.00 0.00 H new ATOM 1057 N THR A 279 8.252 1.672 7.354 1.00 0.00 N ATOM 1058 CA THR A 279 9.688 1.662 7.105 1.00 0.00 C ATOM 1059 C THR A 279 10.084 0.444 6.276 1.00 0.00 C ATOM 1060 O THR A 279 9.504 -0.631 6.418 1.00 0.00 O ATOM 1061 CB THR A 279 10.454 1.665 8.428 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.615 2.070 9.496 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.657 2.583 8.419 1.00 0.00 C ATOM 0 H THR A 279 7.863 0.765 7.613 1.00 0.00 H new ATOM 0 HA THR A 279 9.944 2.561 6.544 1.00 0.00 H new ATOM 0 HB THR A 279 10.797 0.639 8.564 1.00 0.00 H new ATOM 0 HG1 THR A 279 10.125 2.063 10.333 1.00 0.00 H new ATOM 0 HG21 THR A 279 12.156 2.538 9.387 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.350 2.267 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.333 3.605 8.225 1.00 0.00 H new ATOM 1071 N LYS A 280 11.077 0.621 5.410 1.00 0.00 N ATOM 1072 CA LYS A 280 11.548 -0.466 4.559 1.00 0.00 C ATOM 1073 C LYS A 280 12.242 -1.542 5.389 1.00 0.00 C ATOM 1074 O LYS A 280 13.074 -1.241 6.245 1.00 0.00 O ATOM 1075 CB LYS A 280 12.501 0.071 3.488 1.00 0.00 C ATOM 1076 CG LYS A 280 12.079 -0.286 2.071 1.00 0.00 C ATOM 1077 CD LYS A 280 13.159 0.068 1.061 1.00 0.00 C ATOM 1078 CE LYS A 280 12.957 -0.668 -0.253 1.00 0.00 C ATOM 1079 NZ LYS A 280 12.697 -2.119 -0.041 1.00 0.00 N ATOM 0 H LYS A 280 11.570 1.504 5.279 1.00 0.00 H new ATOM 0 HA LYS A 280 10.684 -0.914 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.563 1.155 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.501 -0.322 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.861 -1.352 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.159 0.242 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 280 13.152 1.143 0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 280 14.138 -0.180 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 280 12.121 -0.224 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 280 13.841 -0.545 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 12.947 -2.646 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 13.273 -2.462 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 11.690 -2.263 0.174 1.00 0.00 H new ATOM 1093 N ILE A 281 11.893 -2.797 5.129 1.00 0.00 N ATOM 1094 CA ILE A 281 12.483 -3.919 5.849 1.00 0.00 C ATOM 1095 C ILE A 281 13.760 -4.400 5.168 1.00 0.00 C ATOM 1096 O ILE A 281 14.670 -4.911 5.820 1.00 0.00 O ATOM 1097 CB ILE A 281 11.491 -5.095 5.962 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.089 -6.221 6.809 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.111 -5.608 4.580 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.050 -7.155 7.393 1.00 0.00 C ATOM 0 H ILE A 281 11.204 -3.063 4.425 1.00 0.00 H new ATOM 0 HA ILE A 281 12.726 -3.563 6.850 1.00 0.00 H new ATOM 0 HB ILE A 281 10.587 -4.737 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.781 -6.798 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.671 -5.784 7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.411 -6.437 4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.644 -4.805 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.006 -5.949 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.545 -7.928 7.981 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.372 -6.590 8.033 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.484 -7.620 6.586 1.00 0.00 H new ATOM 1112 N GLY A 282 13.821 -4.234 3.850 1.00 0.00 N ATOM 1113 CA GLY A 282 14.990 -4.655 3.104 1.00 0.00 C ATOM 1114 C GLY A 282 14.796 -6.000 2.430 1.00 0.00 C ATOM 1115 O GLY A 282 13.747 -6.261 1.842 1.00 0.00 O ATOM 0 H GLY A 282 13.081 -3.815 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 282 15.225 -3.905 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 282 15.846 -4.709 3.777 1.00 0.00 H new ATOM 1119 N PHE A 283 15.809 -6.855 2.519 1.00 0.00 N ATOM 1120 CA PHE A 283 15.743 -8.181 1.915 1.00 0.00 C ATOM 1121 C PHE A 283 14.920 -9.134 2.779 1.00 0.00 C ATOM 1122 O PHE A 283 14.928 -9.033 4.006 1.00 0.00 O ATOM 1123 CB PHE A 283 17.151 -8.743 1.714 1.00 0.00 C ATOM 1124 CG PHE A 283 18.012 -8.660 2.943 1.00 0.00 C ATOM 1125 CD1 PHE A 283 17.759 -9.469 4.038 1.00 0.00 C ATOM 1126 CD2 PHE A 283 19.073 -7.770 3.002 1.00 0.00 C ATOM 1127 CE1 PHE A 283 18.551 -9.394 5.169 1.00 0.00 C ATOM 1128 CE2 PHE A 283 19.867 -7.690 4.130 1.00 0.00 C ATOM 1129 CZ PHE A 283 19.605 -8.503 5.215 1.00 0.00 C ATOM 0 H PHE A 283 16.684 -6.654 3.003 1.00 0.00 H new ATOM 0 HA PHE A 283 15.255 -8.087 0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 283 17.076 -9.785 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 283 17.637 -8.201 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 283 16.934 -10.166 4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 283 19.282 -7.132 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 283 18.345 -10.032 6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 283 20.691 -6.993 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 283 20.224 -8.442 6.098 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 -1.544 8.945 20.066 1.00 0.00 N ATOM 1141 CA GLY B 444 -0.832 8.116 19.112 1.00 0.00 C ATOM 1142 C GLY B 444 0.670 8.308 19.181 1.00 0.00 C ATOM 1143 O GLY B 444 1.161 9.435 19.109 1.00 0.00 O ATOM 0 HA2 GLY B 444 -1.070 7.069 19.298 1.00 0.00 H new ATOM 0 HA3 GLY B 444 -1.178 8.348 18.105 1.00 0.00 H new ATOM 1146 N GLU B 445 1.400 7.208 19.323 1.00 0.00 N ATOM 1147 CA GLU B 445 2.856 7.261 19.405 1.00 0.00 C ATOM 1148 C GLU B 445 3.492 6.414 18.306 1.00 0.00 C ATOM 1149 O GLU B 445 3.952 6.941 17.292 1.00 0.00 O ATOM 1150 CB GLU B 445 3.329 6.780 20.778 1.00 0.00 C ATOM 1151 CG GLU B 445 2.984 7.735 21.910 1.00 0.00 C ATOM 1152 CD GLU B 445 4.194 8.123 22.737 1.00 0.00 C ATOM 1153 OE1 GLU B 445 4.526 7.382 23.687 1.00 0.00 O ATOM 1154 OE2 GLU B 445 4.810 9.166 22.435 1.00 0.00 O ATOM 0 H GLU B 445 1.008 6.268 19.384 1.00 0.00 H new ATOM 0 HA GLU B 445 3.167 8.296 19.266 1.00 0.00 H new ATOM 0 HB2 GLU B 445 2.884 5.807 20.986 1.00 0.00 H new ATOM 0 HB3 GLU B 445 4.409 6.637 20.751 1.00 0.00 H new ATOM 0 HG2 GLU B 445 2.529 8.634 21.495 1.00 0.00 H new ATOM 0 HG3 GLU B 445 2.240 7.271 22.557 1.00 0.00 H new ATOM 1161 N GLU B 446 3.518 5.101 18.515 1.00 0.00 N ATOM 1162 CA GLU B 446 4.100 4.183 17.541 1.00 0.00 C ATOM 1163 C GLU B 446 3.058 3.198 17.009 1.00 0.00 C ATOM 1164 O GLU B 446 3.323 2.454 16.064 1.00 0.00 O ATOM 1165 CB GLU B 446 5.267 3.418 18.169 1.00 0.00 C ATOM 1166 CG GLU B 446 6.631 3.977 17.793 1.00 0.00 C ATOM 1167 CD GLU B 446 7.333 3.140 16.740 1.00 0.00 C ATOM 1168 OE1 GLU B 446 7.101 3.386 15.538 1.00 0.00 O ATOM 1169 OE2 GLU B 446 8.113 2.242 17.118 1.00 0.00 O ATOM 0 H GLU B 446 3.143 4.649 19.349 1.00 0.00 H new ATOM 0 HA GLU B 446 4.465 4.775 16.702 1.00 0.00 H new ATOM 0 HB2 GLU B 446 5.162 3.437 19.254 1.00 0.00 H new ATOM 0 HB3 GLU B 446 5.214 2.374 17.862 1.00 0.00 H new ATOM 0 HG2 GLU B 446 6.513 4.996 17.423 1.00 0.00 H new ATOM 0 HG3 GLU B 446 7.256 4.032 18.685 1.00 0.00 H new ATOM 1176 N GLU B 447 1.875 3.191 17.620 1.00 0.00 N ATOM 1177 CA GLU B 447 0.805 2.293 17.199 1.00 0.00 C ATOM 1178 C GLU B 447 -0.549 2.992 17.260 1.00 0.00 C ATOM 1179 O GLU B 447 -0.696 4.026 17.911 1.00 0.00 O ATOM 1180 CB GLU B 447 0.787 1.043 18.081 1.00 0.00 C ATOM 1181 CG GLU B 447 2.165 0.444 18.315 1.00 0.00 C ATOM 1182 CD GLU B 447 2.819 0.966 19.579 1.00 0.00 C ATOM 1183 OE1 GLU B 447 2.145 0.984 20.632 1.00 0.00 O ATOM 1184 OE2 GLU B 447 4.004 1.358 19.517 1.00 0.00 O ATOM 0 H GLU B 447 1.635 3.796 18.406 1.00 0.00 H new ATOM 0 HA GLU B 447 0.995 2.000 16.166 1.00 0.00 H new ATOM 0 HB2 GLU B 447 0.341 1.294 19.043 1.00 0.00 H new ATOM 0 HB3 GLU B 447 0.147 0.291 17.619 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.080 -0.641 18.375 1.00 0.00 H new ATOM 0 HG3 GLU B 447 2.804 0.667 17.461 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.534 2.424 16.575 1.00 0.00 N ATOM 1192 CA GLY B 448 -2.862 3.008 16.562 1.00 0.00 C ATOM 1193 C GLY B 448 -3.099 3.906 15.361 1.00 0.00 C ATOM 1194 O GLY B 448 -4.225 4.335 15.113 1.00 0.00 O ATOM 0 H GLY B 448 -1.437 1.569 16.028 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.605 2.210 16.565 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.009 3.584 17.475 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.036 4.193 14.614 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.138 5.048 13.436 1.00 0.00 C ATOM 1200 C GLU B 449 -2.285 4.217 12.169 1.00 0.00 C ATOM 1201 O GLU B 449 -1.862 4.637 11.096 1.00 0.00 O ATOM 1202 CB GLU B 449 -0.901 5.937 13.307 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.319 6.384 14.639 1.00 0.00 C ATOM 1204 CD GLU B 449 -1.242 7.321 15.392 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -1.471 8.448 14.905 1.00 0.00 O ATOM 1206 OE2 GLU B 449 -1.734 6.929 16.471 1.00 0.00 O ATOM 0 H GLU B 449 -1.096 3.846 14.804 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.024 5.671 13.560 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.135 5.397 12.750 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.159 6.819 12.721 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -0.115 5.508 15.255 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.635 6.881 14.466 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.878 3.037 12.291 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.056 2.170 11.136 1.00 0.00 C ATOM 1215 C GLU B 450 -4.402 1.451 11.178 1.00 0.00 C ATOM 1216 O GLU B 450 -4.965 1.224 12.248 1.00 0.00 O ATOM 1217 CB GLU B 450 -1.909 1.162 11.049 1.00 0.00 C ATOM 1218 CG GLU B 450 -1.990 0.044 12.077 1.00 0.00 C ATOM 1219 CD GLU B 450 -0.782 0.007 12.996 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -0.353 1.088 13.453 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.268 -1.102 13.258 1.00 0.00 O ATOM 0 H GLU B 450 -3.240 2.662 13.168 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.045 2.794 10.243 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.898 0.724 10.051 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -0.964 1.690 11.175 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -2.893 0.170 12.675 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -2.079 -0.912 11.562 1.00 0.00 H new ATOM 1228 N TYR B 451 -4.910 1.100 10.000 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.188 0.409 9.889 1.00 0.00 C ATOM 1230 C TYR B 451 -6.096 -0.749 8.901 1.00 0.00 C ATOM 1231 O TYR B 451 -4.971 -1.240 8.667 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.278 1.386 9.446 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.824 2.235 10.572 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.161 3.382 10.988 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.005 1.889 11.218 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.657 4.159 12.018 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.507 2.660 12.248 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.829 3.794 12.644 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.326 4.565 13.670 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.151 -1.157 8.369 1.00 0.00 O ATOM 0 H TYR B 451 -4.453 1.284 9.107 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.444 0.006 10.869 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.876 2.039 8.672 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.097 0.824 8.996 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.243 3.672 10.499 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.539 1.002 10.909 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.129 5.048 12.331 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.425 2.377 12.741 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.159 4.170 14.002 1.00 0.00 H new TER 1250 TYR B 451