USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 218 LYS NZ :NH3+ -145:sc= 0.24 (180deg=-3.09!) USER MOD Set 1.2: A 293 CYS SG : rot 40:sc= 0.43 USER MOD Set 2.1: A 213 THR OG1 : rot 116:sc=-0.00327! USER MOD Set 2.2: A 286 CYS SG : rot 106:sc= -4.37! USER MOD Set 3.1: A 248 LYS NZ :NH3+ -132:sc= 1.19 (180deg=0.158) USER MOD Set 3.2: A 284 TYR OH : rot 33:sc= 2.01 USER MOD Set 4.1: A 234 THR OG1 : rot 180:sc= 0.0425 USER MOD Set 4.2: A 270 THR OG1 : rot -96:sc= 0.0397 USER MOD Set 5.1: A 230 LYS NZ :NH3+ -148:sc= -1.28! (180deg=-4.45!) USER MOD Set 5.2: A 274 SER OG : rot 100:sc= 1.45 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 LYS NZ :NH3+ 163:sc= 0.152 (180deg=-0.471!) USER MOD Single : A 212 SER OG : rot -5:sc= 0.851 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.0119 F(o=-1.5,f=-0.012) USER MOD Single : A 217 LYS NZ :NH3+ -166:sc=-0.00379 (180deg=-0.133) USER MOD Single : A 223 TYR OH : rot -141:sc= -1.03! USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.2!) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.101 F(o=-2,f=0.1) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 ASN :FLIP amide:sc= -2.73! C(o=-3.5!,f=-2.7!) USER MOD Single : A 251 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.1) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 255 MET CE :methyl -156:sc= 0 (180deg=-0.144) USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ -164:sc= 0.914 (180deg=0.756) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= -0.122 USER MOD Single : A 268 LYS NZ :NH3+ -169:sc=-0.000523 (180deg=-0.0786) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 275 GLN :FLIP amide:sc= -0.0876 F(o=-2.1!,f=-0.088) USER MOD Single : A 276 CYS SG : rot -130:sc= -4.75! USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.7! C(o=-17!,f=-12!) USER MOD Single : A 292 LYS NZ :NH3+ 171:sc= 0.544 (180deg=0.477) USER MOD Single : A 294 SER OG : rot 180:sc= -0.04 USER MOD Single : A 295 THR OG1 : rot -152:sc= -2.88! USER MOD Single : A 300 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00104) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 208 5.602 -14.764 -4.401 1.00 3.09 N ATOM 2 CA ASP A 208 6.617 -14.887 -3.325 1.00 2.68 C ATOM 3 C ASP A 208 6.905 -13.535 -2.708 1.00 1.97 C ATOM 4 O ASP A 208 8.061 -13.124 -2.570 1.00 2.14 O ATOM 5 CB ASP A 208 7.897 -15.485 -3.902 1.00 3.41 C ATOM 6 CG ASP A 208 7.755 -16.954 -4.216 1.00 4.18 C ATOM 7 OD1 ASP A 208 6.720 -17.550 -3.851 1.00 4.43 O ATOM 8 OD2 ASP A 208 8.686 -17.522 -4.821 1.00 4.71 O ATOM 0 HA ASP A 208 6.230 -15.542 -2.545 1.00 2.68 H new ATOM 0 HB2 ASP A 208 8.169 -14.947 -4.810 1.00 3.41 H new ATOM 0 HB3 ASP A 208 8.712 -15.345 -3.192 1.00 3.41 H new ATOM 13 N GLU A 209 5.844 -12.847 -2.341 1.00 1.38 N ATOM 14 CA GLU A 209 5.951 -11.548 -1.721 1.00 0.90 C ATOM 15 C GLU A 209 6.490 -11.699 -0.304 1.00 0.92 C ATOM 16 O GLU A 209 5.905 -12.412 0.511 1.00 1.33 O ATOM 17 CB GLU A 209 4.586 -10.861 -1.695 1.00 1.00 C ATOM 18 CG GLU A 209 4.056 -10.413 -3.055 1.00 0.81 C ATOM 19 CD GLU A 209 3.515 -11.547 -3.907 1.00 1.10 C ATOM 20 OE1 GLU A 209 4.325 -12.283 -4.503 1.00 1.51 O ATOM 21 OE2 GLU A 209 2.278 -11.707 -3.988 1.00 1.52 O ATOM 0 H GLU A 209 4.886 -13.174 -2.465 1.00 1.38 H new ATOM 0 HA GLU A 209 6.638 -10.932 -2.301 1.00 0.90 H new ATOM 0 HB2 GLU A 209 3.863 -11.543 -1.248 1.00 1.00 H new ATOM 0 HB3 GLU A 209 4.648 -9.990 -1.043 1.00 1.00 H new ATOM 0 HG2 GLU A 209 3.266 -9.677 -2.902 1.00 0.81 H new ATOM 0 HG3 GLU A 209 4.857 -9.912 -3.599 1.00 0.81 H new ATOM 28 N LYS A 210 7.630 -11.080 -0.032 1.00 1.02 N ATOM 29 CA LYS A 210 8.291 -11.216 1.261 1.00 1.23 C ATOM 30 C LYS A 210 8.959 -9.905 1.656 1.00 1.22 C ATOM 31 O LYS A 210 9.249 -9.070 0.796 1.00 1.70 O ATOM 32 CB LYS A 210 9.356 -12.317 1.207 1.00 1.64 C ATOM 33 CG LYS A 210 8.840 -13.681 0.777 1.00 2.30 C ATOM 34 CD LYS A 210 9.983 -14.662 0.593 1.00 2.91 C ATOM 35 CE LYS A 210 9.509 -15.981 0.009 1.00 3.69 C ATOM 36 NZ LYS A 210 10.641 -16.916 -0.219 1.00 4.13 N ATOM 0 H LYS A 210 8.119 -10.476 -0.692 1.00 1.02 H new ATOM 0 HA LYS A 210 7.533 -11.478 1.999 1.00 1.23 H new ATOM 0 HB2 LYS A 210 10.143 -12.008 0.519 1.00 1.64 H new ATOM 0 HB3 LYS A 210 9.812 -12.411 2.192 1.00 1.64 H new ATOM 0 HG2 LYS A 210 8.145 -14.063 1.525 1.00 2.30 H new ATOM 0 HG3 LYS A 210 8.284 -13.586 -0.156 1.00 2.30 H new ATOM 0 HD2 LYS A 210 10.735 -14.224 -0.063 1.00 2.91 H new ATOM 0 HD3 LYS A 210 10.465 -14.843 1.554 1.00 2.91 H new ATOM 0 HE2 LYS A 210 8.787 -16.440 0.684 1.00 3.69 H new ATOM 0 HE3 LYS A 210 8.992 -15.798 -0.933 1.00 3.69 H new ATOM 0 HZ1 LYS A 210 10.281 -17.806 -0.618 1.00 4.13 H new ATOM 0 HZ2 LYS A 210 11.317 -16.487 -0.883 1.00 4.13 H new ATOM 0 HZ3 LYS A 210 11.118 -17.110 0.684 1.00 4.13 H new ATOM 50 N LYS A 211 9.204 -9.729 2.952 1.00 0.88 N ATOM 51 CA LYS A 211 9.885 -8.537 3.444 1.00 0.88 C ATOM 52 C LYS A 211 11.298 -8.449 2.881 1.00 0.95 C ATOM 53 O LYS A 211 12.178 -9.230 3.239 1.00 1.30 O ATOM 54 CB LYS A 211 9.920 -8.526 4.969 1.00 1.13 C ATOM 55 CG LYS A 211 8.633 -8.014 5.587 1.00 1.10 C ATOM 56 CD LYS A 211 8.385 -6.556 5.221 1.00 0.94 C ATOM 57 CE LYS A 211 9.041 -5.588 6.203 1.00 0.58 C ATOM 58 NZ LYS A 211 10.518 -5.746 6.288 1.00 1.33 N ATOM 0 H LYS A 211 8.941 -10.396 3.678 1.00 0.88 H new ATOM 0 HA LYS A 211 9.325 -7.665 3.105 1.00 0.88 H new ATOM 0 HB2 LYS A 211 10.113 -9.536 5.330 1.00 1.13 H new ATOM 0 HB3 LYS A 211 10.750 -7.904 5.304 1.00 1.13 H new ATOM 0 HG2 LYS A 211 7.796 -8.624 5.247 1.00 1.10 H new ATOM 0 HG3 LYS A 211 8.682 -8.116 6.671 1.00 1.10 H new ATOM 0 HD2 LYS A 211 8.767 -6.366 4.218 1.00 0.94 H new ATOM 0 HD3 LYS A 211 7.312 -6.369 5.193 1.00 0.94 H new ATOM 0 HE2 LYS A 211 8.809 -4.566 5.905 1.00 0.58 H new ATOM 0 HE3 LYS A 211 8.609 -5.737 7.193 1.00 0.58 H new ATOM 0 HZ1 LYS A 211 10.933 -4.901 6.731 1.00 1.33 H new ATOM 0 HZ2 LYS A 211 10.745 -6.584 6.861 1.00 1.33 H new ATOM 0 HZ3 LYS A 211 10.910 -5.864 5.332 1.00 1.33 H new ATOM 72 N SER A 212 11.469 -7.497 1.979 1.00 1.04 N ATOM 73 CA SER A 212 12.714 -7.274 1.238 1.00 1.39 C ATOM 74 C SER A 212 12.544 -6.025 0.395 1.00 1.11 C ATOM 75 O SER A 212 13.476 -5.547 -0.248 1.00 1.73 O ATOM 76 CB SER A 212 12.996 -8.430 0.274 1.00 1.91 C ATOM 77 OG SER A 212 13.214 -9.660 0.944 1.00 2.46 O ATOM 0 H SER A 212 10.732 -6.838 1.731 1.00 1.04 H new ATOM 0 HA SER A 212 13.532 -7.186 1.953 1.00 1.39 H new ATOM 0 HB2 SER A 212 12.156 -8.539 -0.412 1.00 1.91 H new ATOM 0 HB3 SER A 212 13.871 -8.189 -0.329 1.00 1.91 H new ATOM 0 HG SER A 212 13.217 -9.509 1.912 1.00 2.46 H new ATOM 83 N THR A 213 11.279 -5.718 0.187 1.00 0.75 N ATOM 84 CA THR A 213 10.817 -4.773 -0.810 1.00 0.42 C ATOM 85 C THR A 213 11.164 -3.324 -0.509 1.00 0.62 C ATOM 86 O THR A 213 10.541 -2.411 -1.037 1.00 1.59 O ATOM 87 CB THR A 213 9.301 -4.941 -0.889 1.00 0.48 C ATOM 88 OG1 THR A 213 8.738 -4.803 0.423 1.00 1.20 O ATOM 89 CG2 THR A 213 8.976 -6.322 -1.402 1.00 0.93 C ATOM 0 H THR A 213 10.519 -6.134 0.726 1.00 0.75 H new ATOM 0 HA THR A 213 11.320 -4.989 -1.752 1.00 0.42 H new ATOM 0 HB THR A 213 8.891 -4.184 -1.557 1.00 0.48 H new ATOM 0 HG1 THR A 213 8.154 -4.016 0.447 1.00 1.20 H new ATOM 0 HG21 THR A 213 7.894 -6.444 -1.459 1.00 0.93 H new ATOM 0 HG22 THR A 213 9.409 -6.453 -2.394 1.00 0.93 H new ATOM 0 HG23 THR A 213 9.390 -7.069 -0.724 1.00 0.93 H new ATOM 97 N ALA A 214 12.202 -3.135 0.275 1.00 0.50 N ATOM 98 CA ALA A 214 12.665 -1.813 0.677 1.00 0.39 C ATOM 99 C ALA A 214 11.632 -1.107 1.542 1.00 0.25 C ATOM 100 O ALA A 214 11.772 0.074 1.851 1.00 0.27 O ATOM 101 CB ALA A 214 13.024 -0.956 -0.519 1.00 0.48 C ATOM 0 H ALA A 214 12.758 -3.899 0.659 1.00 0.50 H new ATOM 0 HA ALA A 214 13.569 -1.959 1.268 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.364 0.021 -0.177 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.819 -1.439 -1.087 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.147 -0.833 -1.155 1.00 0.48 H new ATOM 107 N PHE A 215 10.717 -1.883 2.094 1.00 0.25 N ATOM 108 CA PHE A 215 9.861 -1.397 3.145 1.00 0.18 C ATOM 109 C PHE A 215 10.389 -1.977 4.431 1.00 0.21 C ATOM 110 O PHE A 215 10.218 -3.166 4.696 1.00 0.28 O ATOM 111 CB PHE A 215 8.392 -1.810 2.934 1.00 0.20 C ATOM 112 CG PHE A 215 7.806 -1.367 1.617 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.200 -1.961 0.435 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.860 -0.354 1.561 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.673 -1.553 -0.774 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.334 0.060 0.353 1.00 0.31 C ATOM 117 CZ PHE A 215 6.740 -0.541 -0.815 1.00 0.35 C ATOM 0 H PHE A 215 10.552 -2.854 1.827 1.00 0.25 H new ATOM 0 HA PHE A 215 9.870 -0.307 3.159 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.318 -2.895 3.005 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.791 -1.396 3.743 1.00 0.20 H new ATOM 0 HD1 PHE A 215 8.931 -2.756 0.456 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.530 0.118 2.475 1.00 0.26 H new ATOM 0 HE1 PHE A 215 7.993 -2.028 -1.689 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.604 0.856 0.326 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.329 -0.221 -1.761 1.00 0.35 H new ATOM 127 N GLN A 216 11.100 -1.139 5.173 1.00 0.18 N ATOM 128 CA GLN A 216 11.708 -1.515 6.437 1.00 0.21 C ATOM 129 C GLN A 216 10.701 -2.280 7.270 1.00 0.24 C ATOM 130 O GLN A 216 10.928 -3.426 7.656 1.00 0.31 O ATOM 131 CB GLN A 216 12.134 -0.251 7.177 1.00 0.20 C ATOM 132 CG GLN A 216 13.471 -0.389 7.890 1.00 0.25 C ATOM 133 CD GLN A 216 13.914 0.879 8.596 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.292 1.999 8.266 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.833 0.856 9.416 1.00 0.79 N flip ATOM 0 H GLN A 216 11.271 -0.169 4.909 1.00 0.18 H new ATOM 0 HA GLN A 216 12.579 -2.146 6.259 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.193 0.574 6.467 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.367 0.010 7.906 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.403 -1.197 8.619 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.232 -0.677 7.165 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.289 -0.027 9.646 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.137 1.720 9.865 1.00 0.79 H new ATOM 144 N LYS A 217 9.513 -1.715 7.331 1.00 0.20 N ATOM 145 CA LYS A 217 8.373 -2.404 7.875 1.00 0.22 C ATOM 146 C LYS A 217 7.162 -2.205 6.964 1.00 0.17 C ATOM 147 O LYS A 217 6.658 -1.094 6.844 1.00 0.17 O ATOM 148 CB LYS A 217 8.082 -1.865 9.277 1.00 0.28 C ATOM 149 CG LYS A 217 6.722 -2.263 9.816 1.00 0.36 C ATOM 150 CD LYS A 217 6.361 -1.451 11.049 1.00 0.59 C ATOM 151 CE LYS A 217 7.108 -1.930 12.284 1.00 1.26 C ATOM 152 NZ LYS A 217 6.620 -3.255 12.755 1.00 1.85 N ATOM 0 H LYS A 217 9.316 -0.769 7.005 1.00 0.20 H new ATOM 0 HA LYS A 217 8.584 -3.471 7.939 1.00 0.22 H new ATOM 0 HB2 LYS A 217 8.852 -2.223 9.961 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.151 -0.777 9.260 1.00 0.28 H new ATOM 0 HG2 LYS A 217 5.965 -2.116 9.046 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.722 -3.325 10.064 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.590 -0.400 10.871 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.287 -1.518 11.226 1.00 0.59 H new ATOM 0 HE2 LYS A 217 8.173 -1.995 12.061 1.00 1.26 H new ATOM 0 HE3 LYS A 217 6.994 -1.197 13.083 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 6.978 -3.436 13.715 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.580 -3.258 12.767 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.961 -3.999 12.113 1.00 1.85 H new ATOM 166 N LYS A 218 6.569 -3.299 6.521 1.00 0.19 N ATOM 167 CA LYS A 218 5.255 -3.236 5.895 1.00 0.20 C ATOM 168 C LYS A 218 4.220 -3.447 6.990 1.00 0.18 C ATOM 169 O LYS A 218 4.420 -4.294 7.864 1.00 0.20 O ATOM 170 CB LYS A 218 5.084 -4.299 4.785 1.00 0.31 C ATOM 171 CG LYS A 218 3.693 -4.300 4.148 1.00 0.39 C ATOM 172 CD LYS A 218 3.401 -5.590 3.392 1.00 0.96 C ATOM 173 CE LYS A 218 3.079 -6.748 4.332 1.00 1.56 C ATOM 174 NZ LYS A 218 4.296 -7.426 4.851 1.00 2.42 N ATOM 0 H LYS A 218 6.970 -4.235 6.581 1.00 0.19 H new ATOM 0 HA LYS A 218 5.131 -2.266 5.413 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.830 -4.125 4.009 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.283 -5.285 5.204 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.941 -4.159 4.924 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.609 -3.455 3.465 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.562 -5.430 2.714 1.00 0.96 H new ATOM 0 HD3 LYS A 218 4.262 -5.852 2.777 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.491 -6.376 5.171 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.460 -7.475 3.806 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 4.109 -8.444 4.953 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 5.083 -7.283 4.186 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 4.548 -7.026 5.777 1.00 2.42 H new ATOM 188 N LEU A 219 3.135 -2.683 6.972 1.00 0.16 N ATOM 189 CA LEU A 219 2.090 -2.855 7.971 1.00 0.16 C ATOM 190 C LEU A 219 1.492 -4.256 7.869 1.00 0.16 C ATOM 191 O LEU A 219 1.782 -4.990 6.919 1.00 0.17 O ATOM 192 CB LEU A 219 0.996 -1.794 7.848 1.00 0.20 C ATOM 193 CG LEU A 219 1.056 -0.670 8.887 1.00 0.66 C ATOM 194 CD1 LEU A 219 -0.110 0.286 8.703 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.052 -1.240 10.297 1.00 1.62 C ATOM 0 H LEU A 219 2.957 -1.949 6.287 1.00 0.16 H new ATOM 0 HA LEU A 219 2.548 -2.731 8.952 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.052 -1.351 6.854 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.026 -2.285 7.924 1.00 0.20 H new ATOM 0 HG LEU A 219 1.985 -0.120 8.740 1.00 0.66 H new ATOM 0 HD11 LEU A 219 -0.052 1.078 9.449 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.068 0.723 7.705 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -1.048 -0.257 8.822 1.00 1.20 H new ATOM 0 HD21 LEU A 219 1.095 -0.425 11.019 1.00 1.62 H new ATOM 0 HD22 LEU A 219 0.140 -1.816 10.454 1.00 1.62 H new ATOM 0 HD23 LEU A 219 1.918 -1.888 10.430 1.00 1.62 H new ATOM 207 N GLU A 220 0.749 -4.654 8.896 1.00 0.17 N ATOM 208 CA GLU A 220 0.187 -6.001 8.978 1.00 0.20 C ATOM 209 C GLU A 220 -0.483 -6.410 7.667 1.00 0.19 C ATOM 210 O GLU A 220 -1.080 -5.579 6.983 1.00 0.19 O ATOM 211 CB GLU A 220 -0.827 -6.067 10.120 1.00 0.23 C ATOM 212 CG GLU A 220 -1.958 -5.054 9.998 1.00 0.24 C ATOM 213 CD GLU A 220 -2.928 -5.119 11.159 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.738 -5.972 12.052 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.888 -4.320 11.184 1.00 1.12 O ATOM 0 H GLU A 220 0.519 -4.058 9.691 1.00 0.17 H new ATOM 0 HA GLU A 220 1.004 -6.697 9.168 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.253 -7.070 10.158 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.307 -5.905 11.064 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.537 -4.051 9.938 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.499 -5.229 9.068 1.00 0.24 H new ATOM 222 N PRO A 221 -0.317 -7.684 7.263 1.00 0.22 N ATOM 223 CA PRO A 221 -0.833 -8.212 5.984 1.00 0.23 C ATOM 224 C PRO A 221 -2.357 -8.249 5.902 1.00 0.20 C ATOM 225 O PRO A 221 -2.919 -9.093 5.210 1.00 0.19 O ATOM 226 CB PRO A 221 -0.271 -9.635 5.924 1.00 0.29 C ATOM 227 CG PRO A 221 0.851 -9.653 6.899 1.00 0.57 C ATOM 228 CD PRO A 221 0.461 -8.700 7.986 1.00 0.26 C ATOM 0 HA PRO A 221 -0.531 -7.573 5.155 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.032 -10.370 6.186 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.076 -9.879 4.920 1.00 0.29 H new ATOM 0 HG2 PRO A 221 1.008 -10.656 7.296 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.785 -9.347 6.427 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.132 -9.189 8.759 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.333 -8.268 8.478 1.00 0.26 H new ATOM 236 N ALA A 222 -2.994 -7.234 6.459 1.00 0.20 N ATOM 237 CA ALA A 222 -4.425 -7.049 6.352 1.00 0.19 C ATOM 238 C ALA A 222 -4.774 -5.600 6.641 1.00 0.15 C ATOM 239 O ALA A 222 -5.132 -5.240 7.764 1.00 0.17 O ATOM 240 CB ALA A 222 -5.176 -7.971 7.292 1.00 0.24 C ATOM 0 H ALA A 222 -2.525 -6.510 7.003 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.728 -7.300 5.335 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.248 -7.805 7.185 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.943 -9.008 7.048 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.878 -7.764 8.320 1.00 0.24 H new ATOM 246 N TYR A 223 -4.679 -4.776 5.617 1.00 0.12 N ATOM 247 CA TYR A 223 -5.032 -3.375 5.736 1.00 0.11 C ATOM 248 C TYR A 223 -6.546 -3.252 5.692 1.00 0.13 C ATOM 249 O TYR A 223 -7.190 -3.850 4.832 1.00 0.17 O ATOM 250 CB TYR A 223 -4.417 -2.556 4.594 1.00 0.12 C ATOM 251 CG TYR A 223 -2.913 -2.360 4.663 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.089 -3.243 5.345 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.319 -1.283 4.021 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.719 -3.058 5.380 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.948 -1.095 4.052 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.155 -1.982 4.729 1.00 0.16 C ATOM 257 OH TYR A 223 1.208 -1.793 4.760 1.00 0.21 O ATOM 0 H TYR A 223 -4.359 -5.054 4.689 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.644 -2.988 6.678 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.659 -3.044 3.650 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.893 -1.575 4.577 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.524 -4.089 5.857 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.938 -0.578 3.487 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.092 -3.755 5.916 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.505 -0.251 3.544 1.00 0.20 H new ATOM 0 HH TYR A 223 1.404 -0.837 4.850 1.00 0.21 H new ATOM 267 N GLN A 224 -7.117 -2.567 6.668 1.00 0.15 N ATOM 268 CA GLN A 224 -8.564 -2.446 6.752 1.00 0.18 C ATOM 269 C GLN A 224 -9.032 -1.059 6.330 1.00 0.17 C ATOM 270 O GLN A 224 -8.885 -0.090 7.080 1.00 0.22 O ATOM 271 CB GLN A 224 -9.050 -2.741 8.169 1.00 0.26 C ATOM 272 CG GLN A 224 -8.790 -4.166 8.625 1.00 0.34 C ATOM 273 CD GLN A 224 -9.327 -4.424 10.015 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.938 -3.760 10.977 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.227 -5.383 10.131 1.00 0.99 N ATOM 0 H GLN A 224 -6.605 -2.089 7.409 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.991 -3.178 6.067 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.562 -2.054 8.860 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.120 -2.542 8.224 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.252 -4.861 7.923 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.718 -4.362 8.609 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.521 -5.909 9.308 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.628 -5.598 11.044 1.00 0.99 H new ATOM 284 N VAL A 225 -9.619 -0.973 5.142 1.00 0.16 N ATOM 285 CA VAL A 225 -10.158 0.282 4.647 1.00 0.18 C ATOM 286 C VAL A 225 -11.293 0.746 5.525 1.00 0.24 C ATOM 287 O VAL A 225 -12.272 0.033 5.663 1.00 0.30 O ATOM 288 CB VAL A 225 -10.750 0.162 3.226 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.973 1.545 2.622 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.888 -0.692 2.325 1.00 0.77 C ATOM 0 H VAL A 225 -9.733 -1.761 4.504 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.319 0.977 4.644 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.714 -0.339 3.312 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.391 1.442 1.620 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.666 2.108 3.248 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.022 2.075 2.566 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.341 -0.750 1.335 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.896 -0.249 2.244 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.804 -1.694 2.745 1.00 0.77 H new ATOM 300 N SER A 226 -11.321 2.021 5.803 1.00 0.26 N ATOM 301 CA SER A 226 -12.555 2.613 6.258 1.00 0.33 C ATOM 302 C SER A 226 -13.294 3.061 5.003 1.00 0.32 C ATOM 303 O SER A 226 -12.803 3.941 4.301 1.00 0.32 O ATOM 304 CB SER A 226 -12.274 3.787 7.190 1.00 0.42 C ATOM 305 OG SER A 226 -11.458 3.386 8.280 1.00 1.20 O ATOM 0 H SER A 226 -10.528 2.658 5.726 1.00 0.26 H new ATOM 0 HA SER A 226 -13.156 1.906 6.830 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.781 4.586 6.636 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.214 4.192 7.564 1.00 0.42 H new ATOM 0 HG SER A 226 -11.290 4.155 8.863 1.00 1.20 H new ATOM 311 N LYS A 227 -14.226 2.221 4.552 1.00 0.34 N ATOM 312 CA LYS A 227 -14.790 2.336 3.202 1.00 0.37 C ATOM 313 C LYS A 227 -15.044 3.770 2.782 1.00 0.42 C ATOM 314 O LYS A 227 -15.698 4.546 3.484 1.00 0.48 O ATOM 315 CB LYS A 227 -16.082 1.521 3.057 1.00 0.44 C ATOM 316 CG LYS A 227 -17.161 2.219 2.232 1.00 0.95 C ATOM 317 CD LYS A 227 -18.493 1.491 2.265 1.00 0.93 C ATOM 318 CE LYS A 227 -19.226 1.740 3.569 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.669 1.402 3.467 1.00 1.54 N ATOM 0 H LYS A 227 -14.609 1.451 5.101 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.030 1.927 2.536 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.846 0.563 2.594 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.478 1.306 4.049 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.298 3.234 2.606 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.824 2.303 1.199 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.111 1.821 1.430 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.328 0.421 2.137 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.769 1.147 4.361 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.118 2.787 3.852 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -21.134 1.586 4.379 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.111 1.986 2.729 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.774 0.397 3.222 1.00 1.54 H new ATOM 333 N GLY A 228 -14.520 4.097 1.611 1.00 0.46 N ATOM 334 CA GLY A 228 -14.736 5.409 1.031 1.00 0.57 C ATOM 335 C GLY A 228 -13.971 6.509 1.736 1.00 0.57 C ATOM 336 O GLY A 228 -13.808 7.602 1.199 1.00 0.70 O ATOM 0 H GLY A 228 -13.944 3.472 1.047 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.443 5.387 -0.019 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.801 5.640 1.060 1.00 0.57 H new ATOM 340 N HIS A 229 -13.409 6.190 2.893 1.00 0.47 N ATOM 341 CA HIS A 229 -12.582 7.138 3.624 1.00 0.53 C ATOM 342 C HIS A 229 -11.162 7.061 3.107 1.00 0.54 C ATOM 343 O HIS A 229 -10.258 7.682 3.661 1.00 1.02 O ATOM 344 CB HIS A 229 -12.630 6.846 5.125 1.00 0.55 C ATOM 345 CG HIS A 229 -13.964 7.133 5.750 1.00 1.32 C ATOM 346 ND1 HIS A 229 -15.130 6.504 5.369 1.00 1.94 N ATOM 347 CD2 HIS A 229 -14.314 7.997 6.733 1.00 2.31 C ATOM 348 CE1 HIS A 229 -16.134 6.968 6.084 1.00 2.66 C ATOM 349 NE2 HIS A 229 -15.668 7.873 6.919 1.00 2.89 N ATOM 0 H HIS A 229 -13.511 5.282 3.346 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.964 8.147 3.469 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.378 5.799 5.291 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.867 7.441 5.627 1.00 0.55 H new ATOM 0 HD1 HIS A 229 -15.204 5.789 4.645 1.00 1.94 H new ATOM 0 HD2 HIS A 229 -13.651 8.660 7.270 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -17.165 6.658 6.000 1.00 2.66 H new ATOM 358 N LYS A 230 -11.014 6.262 2.043 1.00 0.30 N ATOM 359 CA LYS A 230 -9.751 6.013 1.342 1.00 0.28 C ATOM 360 C LYS A 230 -8.690 5.421 2.272 1.00 0.24 C ATOM 361 O LYS A 230 -8.265 6.046 3.245 1.00 0.28 O ATOM 362 CB LYS A 230 -9.239 7.279 0.604 1.00 0.36 C ATOM 363 CG LYS A 230 -8.588 8.351 1.469 1.00 1.00 C ATOM 364 CD LYS A 230 -8.109 9.545 0.648 1.00 1.23 C ATOM 365 CE LYS A 230 -9.256 10.450 0.211 1.00 1.65 C ATOM 366 NZ LYS A 230 -10.134 9.812 -0.805 1.00 2.24 N ATOM 0 H LYS A 230 -11.798 5.754 1.633 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.953 5.263 0.577 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.519 6.966 -0.152 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -10.079 7.730 0.076 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.301 8.692 2.220 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -7.743 7.919 2.005 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -7.397 10.124 1.236 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -7.577 9.186 -0.233 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -9.852 10.721 1.082 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -8.849 11.375 -0.196 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -10.514 10.541 -1.442 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.583 9.123 -1.356 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -10.920 9.325 -0.328 1.00 2.24 H new ATOM 380 N ILE A 231 -8.328 4.165 2.038 1.00 0.20 N ATOM 381 CA ILE A 231 -7.380 3.509 2.936 1.00 0.17 C ATOM 382 C ILE A 231 -5.935 3.806 2.541 1.00 0.16 C ATOM 383 O ILE A 231 -5.576 3.795 1.369 1.00 0.17 O ATOM 384 CB ILE A 231 -7.578 1.982 3.003 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.538 1.371 3.949 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.453 1.363 1.623 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.696 -0.109 4.171 1.00 0.19 C ATOM 0 H ILE A 231 -8.662 3.594 1.261 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.581 3.923 3.924 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.579 1.775 3.381 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.543 1.562 3.548 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.597 1.879 4.912 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.596 0.285 1.694 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.210 1.787 0.964 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.462 1.572 1.219 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.920 -0.460 4.852 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.676 -0.309 4.603 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.606 -0.631 3.219 1.00 0.19 H new ATOM 399 N ARG A 232 -5.134 4.141 3.537 1.00 0.17 N ATOM 400 CA ARG A 232 -3.739 4.501 3.335 1.00 0.17 C ATOM 401 C ARG A 232 -2.829 3.309 3.634 1.00 0.15 C ATOM 402 O ARG A 232 -3.031 2.613 4.633 1.00 0.19 O ATOM 403 CB ARG A 232 -3.406 5.678 4.249 1.00 0.22 C ATOM 404 CG ARG A 232 -4.309 6.878 4.024 1.00 0.34 C ATOM 405 CD ARG A 232 -4.159 7.918 5.121 1.00 0.77 C ATOM 406 NE ARG A 232 -5.075 9.043 4.922 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.915 9.986 3.993 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.778 10.080 3.314 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.879 10.865 3.770 1.00 3.14 N ATOM 0 H ARG A 232 -5.432 4.172 4.512 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.577 4.786 2.296 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.488 5.359 5.288 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.370 5.975 4.087 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.076 7.331 3.061 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.347 6.547 3.978 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -4.352 7.457 6.090 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.132 8.283 5.140 1.00 0.77 H new ATOM 0 HE ARG A 232 -5.888 9.110 5.534 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -3.017 9.427 3.501 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -3.666 10.805 2.605 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -6.744 10.821 4.309 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -5.757 11.587 3.059 1.00 3.14 H new ATOM 423 N LEU A 233 -1.847 3.042 2.767 1.00 0.13 N ATOM 424 CA LEU A 233 -0.969 1.911 2.965 1.00 0.14 C ATOM 425 C LEU A 233 0.303 2.378 3.636 1.00 0.13 C ATOM 426 O LEU A 233 1.189 2.926 2.986 1.00 0.13 O ATOM 427 CB LEU A 233 -0.675 1.221 1.620 1.00 0.15 C ATOM 428 CG LEU A 233 -1.753 0.227 1.140 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.105 0.906 0.969 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.340 -0.434 -0.163 1.00 0.23 C ATOM 0 H LEU A 233 -1.650 3.595 1.932 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.453 1.178 3.611 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.546 1.989 0.857 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.274 0.691 1.702 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.850 -0.538 1.910 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.839 0.175 0.630 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.425 1.326 1.923 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.021 1.704 0.232 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.117 -1.130 -0.480 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.201 0.328 -0.930 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.406 -0.976 -0.016 1.00 0.23 H new ATOM 442 N THR A 234 0.317 2.299 4.956 1.00 0.14 N ATOM 443 CA THR A 234 1.416 2.828 5.736 1.00 0.16 C ATOM 444 C THR A 234 2.490 1.772 5.952 1.00 0.16 C ATOM 445 O THR A 234 2.192 0.606 6.211 1.00 0.22 O ATOM 446 CB THR A 234 0.926 3.357 7.098 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.167 4.265 6.898 1.00 0.33 O ATOM 448 CG2 THR A 234 2.047 4.069 7.845 1.00 0.24 C ATOM 0 H THR A 234 -0.425 1.871 5.509 1.00 0.14 H new ATOM 0 HA THR A 234 1.845 3.656 5.173 1.00 0.16 H new ATOM 0 HB THR A 234 0.598 2.507 7.696 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.478 4.599 7.765 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.673 4.432 8.802 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.869 3.374 8.016 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.402 4.911 7.251 1.00 0.24 H new ATOM 456 N VAL A 235 3.729 2.187 5.778 1.00 0.14 N ATOM 457 CA VAL A 235 4.884 1.319 5.912 1.00 0.14 C ATOM 458 C VAL A 235 6.050 2.143 6.426 1.00 0.14 C ATOM 459 O VAL A 235 6.167 3.311 6.088 1.00 0.16 O ATOM 460 CB VAL A 235 5.289 0.700 4.552 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.197 -0.197 4.016 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.573 1.798 3.557 1.00 0.14 C ATOM 0 H VAL A 235 3.966 3.149 5.536 1.00 0.14 H new ATOM 0 HA VAL A 235 4.629 0.512 6.600 1.00 0.14 H new ATOM 0 HB VAL A 235 6.185 0.099 4.705 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.508 -0.618 3.060 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.009 -1.004 4.724 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.285 0.383 3.877 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.858 1.358 2.601 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.680 2.408 3.424 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.387 2.422 3.926 1.00 0.14 H new ATOM 472 N GLU A 236 6.996 1.521 7.084 1.00 0.13 N ATOM 473 CA GLU A 236 8.233 2.211 7.359 1.00 0.13 C ATOM 474 C GLU A 236 9.186 1.865 6.243 1.00 0.13 C ATOM 475 O GLU A 236 9.438 0.696 6.002 1.00 0.17 O ATOM 476 CB GLU A 236 8.822 1.804 8.707 1.00 0.18 C ATOM 477 CG GLU A 236 9.980 2.687 9.151 1.00 0.29 C ATOM 478 CD GLU A 236 10.414 2.406 10.573 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.634 2.681 11.506 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.541 1.907 10.768 1.00 1.18 O ATOM 0 H GLU A 236 6.939 0.564 7.432 1.00 0.13 H new ATOM 0 HA GLU A 236 8.056 3.285 7.411 1.00 0.13 H new ATOM 0 HB2 GLU A 236 8.038 1.838 9.463 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.164 0.771 8.649 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.826 2.535 8.480 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.688 3.734 9.064 1.00 0.29 H new ATOM 487 N LEU A 237 9.561 2.846 5.448 1.00 0.13 N ATOM 488 CA LEU A 237 10.384 2.572 4.287 1.00 0.15 C ATOM 489 C LEU A 237 11.819 2.322 4.690 1.00 0.17 C ATOM 490 O LEU A 237 12.300 2.875 5.672 1.00 0.19 O ATOM 491 CB LEU A 237 10.335 3.717 3.277 1.00 0.17 C ATOM 492 CG LEU A 237 9.350 3.534 2.125 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.508 4.653 1.107 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.550 2.183 1.462 1.00 0.55 C ATOM 0 H LEU A 237 9.314 3.827 5.581 1.00 0.13 H new ATOM 0 HA LEU A 237 9.979 1.676 3.816 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.081 4.635 3.807 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.333 3.854 2.861 1.00 0.17 H new ATOM 0 HG LEU A 237 8.338 3.573 2.529 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.798 4.507 0.293 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.316 5.612 1.588 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.523 4.643 0.710 1.00 0.44 H new ATOM 0 HD21 LEU A 237 8.839 2.071 0.643 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.566 2.116 1.072 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.389 1.391 2.194 1.00 0.55 H new ATOM 506 N ALA A 238 12.510 1.556 3.874 1.00 0.19 N ATOM 507 CA ALA A 238 13.937 1.364 4.020 1.00 0.21 C ATOM 508 C ALA A 238 14.649 2.442 3.218 1.00 0.23 C ATOM 509 O ALA A 238 15.707 2.937 3.599 1.00 0.28 O ATOM 510 CB ALA A 238 14.329 -0.014 3.535 1.00 0.25 C ATOM 0 H ALA A 238 12.099 1.049 3.091 1.00 0.19 H new ATOM 0 HA ALA A 238 14.223 1.441 5.069 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.405 -0.148 3.649 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.805 -0.769 4.121 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.060 -0.120 2.484 1.00 0.25 H new ATOM 516 N ASP A 239 14.009 2.831 2.122 1.00 0.22 N ATOM 517 CA ASP A 239 14.507 3.902 1.261 1.00 0.25 C ATOM 518 C ASP A 239 14.180 5.260 1.845 1.00 0.25 C ATOM 519 O ASP A 239 14.954 6.205 1.715 1.00 0.34 O ATOM 520 CB ASP A 239 13.908 3.803 -0.134 1.00 0.31 C ATOM 521 CG ASP A 239 14.635 2.785 -0.992 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.887 2.787 -0.983 1.00 1.28 O ATOM 523 OD2 ASP A 239 13.973 2.004 -1.699 1.00 1.19 O ATOM 0 H ASP A 239 13.133 2.416 1.804 1.00 0.22 H new ATOM 0 HA ASP A 239 15.589 3.789 1.195 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.856 3.529 -0.058 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.949 4.780 -0.617 1.00 0.31 H new ATOM 528 N HIS A 240 13.007 5.333 2.470 1.00 0.27 N ATOM 529 CA HIS A 240 12.503 6.546 3.125 1.00 0.39 C ATOM 530 C HIS A 240 11.947 7.540 2.109 1.00 0.47 C ATOM 531 O HIS A 240 10.810 7.990 2.241 1.00 0.70 O ATOM 532 CB HIS A 240 13.582 7.224 3.986 1.00 0.46 C ATOM 533 CG HIS A 240 14.235 6.323 4.995 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.070 5.003 5.247 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.210 6.753 5.865 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.943 4.661 6.249 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.617 5.740 6.602 1.00 0.48 N flip ATOM 0 H HIS A 240 12.368 4.541 2.539 1.00 0.27 H new ATOM 0 HA HIS A 240 11.693 6.230 3.782 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.351 7.629 3.328 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.133 8.068 4.509 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.416 4.377 4.778 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.584 7.764 5.933 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.059 3.676 6.676 1.00 0.57 H new ATOM 546 N ASP A 241 12.749 7.910 1.118 1.00 0.41 N ATOM 547 CA ASP A 241 12.331 8.923 0.152 1.00 0.51 C ATOM 548 C ASP A 241 12.308 8.382 -1.267 1.00 0.44 C ATOM 549 O ASP A 241 12.541 9.109 -2.232 1.00 0.78 O ATOM 550 CB ASP A 241 13.244 10.148 0.238 1.00 0.80 C ATOM 551 CG ASP A 241 14.644 9.884 -0.285 1.00 1.53 C ATOM 552 OD1 ASP A 241 15.293 8.928 0.193 1.00 2.22 O ATOM 553 OD2 ASP A 241 15.096 10.614 -1.189 1.00 2.08 O ATOM 0 H ASP A 241 13.682 7.530 0.961 1.00 0.41 H new ATOM 0 HA ASP A 241 11.312 9.215 0.407 1.00 0.51 H new ATOM 0 HB2 ASP A 241 12.799 10.966 -0.329 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.306 10.476 1.276 1.00 0.80 H new ATOM 558 N ALA A 242 11.909 7.138 -1.392 1.00 0.33 N ATOM 559 CA ALA A 242 11.756 6.524 -2.693 1.00 0.30 C ATOM 560 C ALA A 242 10.294 6.467 -3.093 1.00 0.24 C ATOM 561 O ALA A 242 9.423 6.243 -2.247 1.00 0.28 O ATOM 562 CB ALA A 242 12.340 5.136 -2.670 1.00 0.38 C ATOM 0 H ALA A 242 11.683 6.528 -0.606 1.00 0.33 H new ATOM 0 HA ALA A 242 12.287 7.128 -3.428 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.223 4.676 -3.651 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.399 5.191 -2.419 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.821 4.535 -1.923 1.00 0.38 H new ATOM 568 N GLU A 243 10.036 6.587 -4.385 1.00 0.26 N ATOM 569 CA GLU A 243 8.690 6.452 -4.900 1.00 0.30 C ATOM 570 C GLU A 243 8.254 5.006 -4.776 1.00 0.25 C ATOM 571 O GLU A 243 8.886 4.101 -5.327 1.00 0.25 O ATOM 572 CB GLU A 243 8.638 6.888 -6.361 1.00 0.39 C ATOM 573 CG GLU A 243 9.166 8.295 -6.584 1.00 0.67 C ATOM 574 CD GLU A 243 9.357 8.627 -8.047 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.425 8.382 -8.839 1.00 1.56 O ATOM 576 OE2 GLU A 243 10.446 9.108 -8.417 1.00 1.64 O ATOM 0 H GLU A 243 10.744 6.778 -5.094 1.00 0.26 H new ATOM 0 HA GLU A 243 8.017 7.088 -4.325 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.219 6.189 -6.963 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.608 6.833 -6.714 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.474 9.012 -6.141 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.117 8.407 -6.064 1.00 0.67 H new ATOM 583 N VAL A 244 7.207 4.789 -4.011 1.00 0.24 N ATOM 584 CA VAL A 244 6.718 3.452 -3.774 1.00 0.21 C ATOM 585 C VAL A 244 5.609 3.112 -4.744 1.00 0.20 C ATOM 586 O VAL A 244 4.634 3.852 -4.881 1.00 0.23 O ATOM 587 CB VAL A 244 6.223 3.271 -2.325 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.400 3.336 -1.361 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.166 4.324 -1.975 1.00 0.27 C ATOM 0 H VAL A 244 6.678 5.524 -3.542 1.00 0.24 H new ATOM 0 HA VAL A 244 7.554 2.770 -3.931 1.00 0.21 H new ATOM 0 HB VAL A 244 5.755 2.291 -2.234 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.041 3.207 -0.340 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.109 2.544 -1.599 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.893 4.304 -1.453 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.832 4.177 -0.948 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.597 5.320 -2.077 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.317 4.225 -2.651 1.00 0.27 H new ATOM 599 N LYS A 245 5.719 1.952 -5.343 1.00 0.18 N ATOM 600 CA LYS A 245 4.665 1.449 -6.183 1.00 0.19 C ATOM 601 C LYS A 245 4.077 0.236 -5.505 1.00 0.15 C ATOM 602 O LYS A 245 4.683 -0.318 -4.600 1.00 0.16 O ATOM 603 CB LYS A 245 5.191 1.145 -7.585 1.00 0.30 C ATOM 604 CG LYS A 245 5.392 2.400 -8.421 1.00 0.89 C ATOM 605 CD LYS A 245 6.012 2.095 -9.773 1.00 1.51 C ATOM 606 CE LYS A 245 5.119 1.206 -10.618 1.00 2.00 C ATOM 607 NZ LYS A 245 5.669 1.022 -11.987 1.00 2.79 N ATOM 0 H LYS A 245 6.530 1.339 -5.263 1.00 0.18 H new ATOM 0 HA LYS A 245 3.881 2.194 -6.315 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.138 0.611 -7.506 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.492 0.482 -8.095 1.00 0.30 H new ATOM 0 HG2 LYS A 245 4.432 2.895 -8.567 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.031 3.097 -7.879 1.00 0.89 H new ATOM 0 HD2 LYS A 245 6.202 3.028 -10.304 1.00 1.51 H new ATOM 0 HD3 LYS A 245 6.976 1.608 -9.628 1.00 1.51 H new ATOM 0 HE2 LYS A 245 5.010 0.235 -10.135 1.00 2.00 H new ATOM 0 HE3 LYS A 245 4.123 1.644 -10.681 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 5.034 0.409 -12.537 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 5.750 1.947 -12.456 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 6.609 0.581 -11.927 1.00 2.79 H new ATOM 621 N TRP A 246 2.814 0.000 -5.693 1.00 0.14 N ATOM 622 CA TRP A 246 2.165 -1.003 -4.879 1.00 0.13 C ATOM 623 C TRP A 246 1.474 -1.989 -5.779 1.00 0.14 C ATOM 624 O TRP A 246 1.628 -1.929 -6.988 1.00 0.14 O ATOM 625 CB TRP A 246 1.225 -0.380 -3.822 1.00 0.14 C ATOM 626 CG TRP A 246 1.935 0.599 -2.910 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.505 1.777 -3.291 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.178 0.498 -1.484 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.069 2.405 -2.218 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.892 1.653 -1.107 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.875 -0.436 -0.488 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.294 1.903 0.202 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.286 -0.175 0.818 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.986 0.985 1.141 1.00 0.15 C ATOM 0 H TRP A 246 2.221 0.467 -6.378 1.00 0.14 H new ATOM 0 HA TRP A 246 2.916 -1.538 -4.299 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.405 0.130 -4.327 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.784 -1.175 -3.221 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.510 2.160 -4.301 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.550 3.304 -2.249 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.334 -1.340 -0.726 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.835 2.802 0.457 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.057 -0.888 1.596 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.288 1.153 2.164 1.00 0.15 H new ATOM 645 N LEU A 247 1.039 -3.069 -5.225 1.00 0.15 N ATOM 646 CA LEU A 247 0.562 -4.158 -6.033 1.00 0.14 C ATOM 647 C LEU A 247 -0.843 -4.527 -5.584 1.00 0.15 C ATOM 648 O LEU A 247 -1.066 -4.759 -4.424 1.00 0.16 O ATOM 649 CB LEU A 247 1.524 -5.343 -5.868 1.00 0.15 C ATOM 650 CG LEU A 247 2.346 -5.782 -7.085 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.603 -6.839 -7.878 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.702 -4.601 -7.967 1.00 0.17 C ATOM 0 H LEU A 247 1.000 -3.229 -4.218 1.00 0.15 H new ATOM 0 HA LEU A 247 0.524 -3.878 -7.086 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.221 -5.098 -5.066 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.941 -6.201 -5.532 1.00 0.15 H new ATOM 0 HG LEU A 247 3.277 -6.215 -6.719 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.203 -7.138 -8.738 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.419 -7.707 -7.245 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.652 -6.434 -8.223 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.285 -4.947 -8.821 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.789 -4.123 -8.321 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.289 -3.883 -7.394 1.00 0.17 H new ATOM 664 N LYS A 248 -1.745 -4.740 -6.502 1.00 0.19 N ATOM 665 CA LYS A 248 -3.003 -5.363 -6.149 1.00 0.25 C ATOM 666 C LYS A 248 -2.780 -6.848 -6.343 1.00 0.25 C ATOM 667 O LYS A 248 -1.869 -7.200 -7.085 1.00 0.21 O ATOM 668 CB LYS A 248 -4.137 -4.870 -7.059 1.00 0.34 C ATOM 669 CG LYS A 248 -5.499 -5.475 -6.750 1.00 0.77 C ATOM 670 CD LYS A 248 -6.492 -5.219 -7.875 1.00 0.95 C ATOM 671 CE LYS A 248 -6.784 -3.737 -8.061 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.654 -3.196 -6.984 1.00 2.06 N ATOM 0 H LYS A 248 -1.641 -4.498 -7.487 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.297 -5.120 -5.128 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.207 -3.785 -6.976 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.880 -5.095 -8.094 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.394 -6.549 -6.593 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.883 -5.053 -5.821 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.098 -5.629 -8.805 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -7.422 -5.747 -7.663 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -5.845 -3.183 -8.080 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -7.265 -3.582 -9.027 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.427 -2.643 -7.407 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.053 -3.982 -6.432 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.092 -2.584 -6.359 1.00 2.06 H new ATOM 686 N ASN A 249 -3.419 -7.703 -5.557 1.00 0.34 N ATOM 687 CA ASN A 249 -3.102 -9.131 -5.621 1.00 0.40 C ATOM 688 C ASN A 249 -3.039 -9.589 -7.079 1.00 0.35 C ATOM 689 O ASN A 249 -4.001 -9.431 -7.834 1.00 0.35 O ATOM 690 CB ASN A 249 -4.100 -9.978 -4.803 1.00 0.61 C ATOM 691 CG ASN A 249 -5.461 -10.169 -5.458 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.458 -9.465 -4.954 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.621 -10.946 -6.397 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.141 -7.448 -4.884 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.122 -9.283 -5.168 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.659 -10.958 -4.621 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.243 -9.507 -3.830 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -4.829 -11.475 -6.762 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.546 -11.062 -6.811 1.00 1.19 H new ATOM 700 N GLY A 250 -1.822 -9.896 -7.520 1.00 0.35 N ATOM 701 CA GLY A 250 -1.570 -10.180 -8.920 1.00 0.35 C ATOM 702 C GLY A 250 -1.382 -8.934 -9.787 1.00 0.33 C ATOM 703 O GLY A 250 -0.494 -8.907 -10.642 1.00 0.39 O ATOM 0 H GLY A 250 -0.997 -9.953 -6.923 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.678 -10.802 -8.999 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.401 -10.763 -9.317 1.00 0.35 H new ATOM 707 N GLN A 251 -2.260 -7.945 -9.644 1.00 0.30 N ATOM 708 CA GLN A 251 -2.232 -6.758 -10.507 1.00 0.36 C ATOM 709 C GLN A 251 -1.196 -5.746 -10.028 1.00 0.25 C ATOM 710 O GLN A 251 -1.155 -5.402 -8.863 1.00 0.28 O ATOM 711 CB GLN A 251 -3.612 -6.093 -10.560 1.00 0.52 C ATOM 712 CG GLN A 251 -4.594 -6.735 -11.536 1.00 1.28 C ATOM 713 CD GLN A 251 -4.985 -8.155 -11.165 1.00 2.00 C ATOM 714 OE1 GLN A 251 -4.202 -9.092 -11.314 1.00 2.77 O ATOM 715 NE2 GLN A 251 -6.198 -8.323 -10.670 1.00 2.59 N ATOM 0 H GLN A 251 -3.000 -7.938 -8.942 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.955 -7.091 -11.507 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.048 -6.113 -9.561 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.485 -5.045 -10.831 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -5.494 -6.122 -11.588 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.152 -6.738 -12.532 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -6.820 -7.522 -10.561 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.513 -9.254 -10.397 1.00 2.59 H new ATOM 724 N GLU A 252 -0.384 -5.233 -10.928 1.00 0.26 N ATOM 725 CA GLU A 252 0.627 -4.258 -10.541 1.00 0.25 C ATOM 726 C GLU A 252 0.035 -2.854 -10.422 1.00 0.27 C ATOM 727 O GLU A 252 -0.794 -2.445 -11.239 1.00 0.32 O ATOM 728 CB GLU A 252 1.807 -4.297 -11.507 1.00 0.32 C ATOM 729 CG GLU A 252 2.555 -5.622 -11.451 1.00 0.60 C ATOM 730 CD GLU A 252 3.850 -5.609 -12.242 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.171 -4.563 -12.846 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.565 -6.631 -12.250 1.00 1.60 O ATOM 0 H GLU A 252 -0.399 -5.467 -11.921 1.00 0.26 H new ATOM 0 HA GLU A 252 0.998 -4.528 -9.552 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.449 -4.127 -12.522 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.494 -3.484 -11.271 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.774 -5.865 -10.411 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.910 -6.413 -11.834 1.00 0.60 H new ATOM 739 N ILE A 253 0.342 -2.197 -9.307 1.00 0.23 N ATOM 740 CA ILE A 253 -0.269 -0.921 -8.956 1.00 0.27 C ATOM 741 C ILE A 253 0.750 0.231 -8.980 1.00 0.28 C ATOM 742 O ILE A 253 1.785 0.205 -8.299 1.00 0.28 O ATOM 743 CB ILE A 253 -0.948 -1.056 -7.570 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.387 -1.534 -7.716 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.879 0.216 -6.749 1.00 0.28 C ATOM 746 CD1 ILE A 253 -3.044 -1.825 -6.388 1.00 0.33 C ATOM 0 H ILE A 253 1.020 -2.534 -8.624 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.022 -0.671 -9.703 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.383 -1.808 -7.019 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.965 -0.776 -8.244 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.406 -2.434 -8.330 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.372 0.057 -5.790 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.164 0.485 -6.581 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.380 1.022 -7.285 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.067 -2.162 -6.554 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.486 -2.604 -5.869 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.054 -0.920 -5.781 1.00 0.33 H new ATOM 758 N GLN A 254 0.463 1.226 -9.802 1.00 0.36 N ATOM 759 CA GLN A 254 1.351 2.363 -9.963 1.00 0.43 C ATOM 760 C GLN A 254 1.050 3.452 -8.935 1.00 0.61 C ATOM 761 O GLN A 254 1.153 3.220 -7.732 1.00 1.42 O ATOM 762 CB GLN A 254 1.254 2.899 -11.392 1.00 0.70 C ATOM 763 CG GLN A 254 1.661 1.871 -12.435 1.00 1.00 C ATOM 764 CD GLN A 254 1.394 2.328 -13.852 1.00 1.75 C ATOM 765 OE1 GLN A 254 1.925 3.341 -14.306 1.00 2.63 O ATOM 766 NE2 GLN A 254 0.562 1.584 -14.561 1.00 2.21 N ATOM 0 H GLN A 254 -0.383 1.269 -10.371 1.00 0.36 H new ATOM 0 HA GLN A 254 2.375 2.034 -9.786 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.231 3.221 -11.586 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.889 3.779 -11.489 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.723 1.650 -12.324 1.00 1.00 H new ATOM 0 HG3 GLN A 254 1.121 0.942 -12.251 1.00 1.00 H new ATOM 0 HE21 GLN A 254 0.143 0.751 -14.147 1.00 2.21 H new ATOM 0 HE22 GLN A 254 0.339 1.843 -15.522 1.00 2.21 H new ATOM 775 N MET A 255 0.743 4.654 -9.411 1.00 0.59 N ATOM 776 CA MET A 255 0.517 5.796 -8.534 1.00 0.61 C ATOM 777 C MET A 255 -0.275 6.881 -9.256 1.00 0.65 C ATOM 778 O MET A 255 -0.103 7.089 -10.460 1.00 0.95 O ATOM 779 CB MET A 255 1.856 6.358 -8.043 1.00 0.95 C ATOM 780 CG MET A 255 2.815 6.712 -9.169 1.00 1.58 C ATOM 781 SD MET A 255 4.433 7.236 -8.571 1.00 2.30 S ATOM 782 CE MET A 255 5.327 7.356 -10.118 1.00 2.61 C ATOM 0 H MET A 255 0.645 4.863 -10.405 1.00 0.59 H new ATOM 0 HA MET A 255 -0.063 5.461 -7.674 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.669 7.248 -7.442 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.330 5.626 -7.389 1.00 0.95 H new ATOM 0 HG2 MET A 255 2.937 5.847 -9.822 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.381 7.509 -9.773 1.00 1.58 H new ATOM 0 HE1 MET A 255 6.395 7.246 -9.930 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.994 6.567 -10.793 1.00 2.61 H new ATOM 0 HE3 MET A 255 5.137 8.328 -10.574 1.00 2.61 H new ATOM 792 N SER A 256 -1.160 7.546 -8.526 1.00 0.57 N ATOM 793 CA SER A 256 -2.006 8.585 -9.097 1.00 0.69 C ATOM 794 C SER A 256 -2.600 9.447 -7.987 1.00 1.00 C ATOM 795 O SER A 256 -2.634 9.039 -6.825 1.00 1.47 O ATOM 796 CB SER A 256 -3.131 7.959 -9.928 1.00 0.76 C ATOM 797 OG SER A 256 -3.621 8.871 -10.901 1.00 1.64 O ATOM 0 H SER A 256 -1.311 7.383 -7.531 1.00 0.57 H new ATOM 0 HA SER A 256 -1.395 9.212 -9.747 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.764 7.059 -10.422 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.945 7.653 -9.271 1.00 0.76 H new ATOM 0 HG SER A 256 -4.336 8.445 -11.418 1.00 1.64 H new ATOM 803 N GLY A 257 -3.022 10.656 -8.341 1.00 1.01 N ATOM 804 CA GLY A 257 -3.594 11.573 -7.368 1.00 1.41 C ATOM 805 C GLY A 257 -5.051 11.270 -7.049 1.00 1.28 C ATOM 806 O GLY A 257 -5.880 12.177 -6.998 1.00 1.69 O ATOM 0 H GLY A 257 -2.978 11.021 -9.292 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.010 11.529 -6.449 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -3.515 12.592 -7.747 1.00 1.41 H new ATOM 810 N SER A 258 -5.349 10.003 -6.792 1.00 1.07 N ATOM 811 CA SER A 258 -6.692 9.581 -6.416 1.00 0.96 C ATOM 812 C SER A 258 -6.638 8.158 -5.868 1.00 0.74 C ATOM 813 O SER A 258 -6.582 7.957 -4.655 1.00 1.14 O ATOM 814 CB SER A 258 -7.644 9.669 -7.614 1.00 1.08 C ATOM 815 OG SER A 258 -8.971 9.326 -7.247 1.00 1.77 O ATOM 0 H SER A 258 -4.671 9.243 -6.838 1.00 1.07 H new ATOM 0 HA SER A 258 -7.074 10.247 -5.642 1.00 0.96 H new ATOM 0 HB2 SER A 258 -7.627 10.680 -8.021 1.00 1.08 H new ATOM 0 HB3 SER A 258 -7.299 9.002 -8.404 1.00 1.08 H new ATOM 0 HG SER A 258 -9.555 9.393 -8.031 1.00 1.77 H new ATOM 821 N LYS A 259 -6.409 7.199 -6.746 1.00 0.51 N ATOM 822 CA LYS A 259 -6.073 5.861 -6.302 1.00 0.37 C ATOM 823 C LYS A 259 -4.564 5.708 -6.377 1.00 0.33 C ATOM 824 O LYS A 259 -3.940 6.261 -7.284 1.00 0.45 O ATOM 825 CB LYS A 259 -6.770 4.783 -7.146 1.00 0.48 C ATOM 826 CG LYS A 259 -8.292 4.849 -7.099 1.00 1.11 C ATOM 827 CD LYS A 259 -8.940 3.556 -7.587 1.00 1.59 C ATOM 828 CE LYS A 259 -8.738 2.410 -6.599 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.487 1.183 -6.996 1.00 2.41 N ATOM 0 H LYS A 259 -6.449 7.320 -7.758 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.422 5.724 -5.278 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.444 4.879 -8.182 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.448 3.801 -6.800 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.614 5.052 -6.078 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.637 5.681 -7.713 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -10.007 3.720 -7.740 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.518 3.281 -8.554 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -7.675 2.177 -6.528 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -9.062 2.726 -5.608 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.547 0.535 -6.185 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.446 1.445 -7.301 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -8.991 0.712 -7.779 1.00 2.41 H new ATOM 843 N TYR A 260 -3.980 5.019 -5.399 1.00 0.24 N ATOM 844 CA TYR A 260 -2.529 4.831 -5.342 1.00 0.27 C ATOM 845 C TYR A 260 -1.819 6.172 -5.134 1.00 0.27 C ATOM 846 O TYR A 260 -0.918 6.538 -5.889 1.00 0.29 O ATOM 847 CB TYR A 260 -2.001 4.160 -6.621 1.00 0.33 C ATOM 848 CG TYR A 260 -2.933 3.130 -7.222 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.562 2.177 -6.433 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.193 3.128 -8.586 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.420 1.250 -6.987 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.049 2.204 -9.147 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.660 1.268 -8.344 1.00 0.95 C ATOM 854 OH TYR A 260 -5.505 0.339 -8.902 1.00 1.24 O ATOM 0 H TYR A 260 -4.490 4.580 -4.632 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.317 4.177 -4.496 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.804 4.931 -7.366 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.047 3.682 -6.398 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.377 2.161 -5.369 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.717 3.863 -9.218 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -4.901 0.514 -6.360 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.239 2.215 -10.210 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.566 0.491 -9.868 1.00 1.24 H new ATOM 864 N ILE A 261 -2.231 6.898 -4.107 1.00 0.26 N ATOM 865 CA ILE A 261 -1.628 8.182 -3.779 1.00 0.27 C ATOM 866 C ILE A 261 -0.381 7.979 -2.918 1.00 0.28 C ATOM 867 O ILE A 261 -0.468 7.487 -1.800 1.00 0.35 O ATOM 868 CB ILE A 261 -2.619 9.074 -3.006 1.00 0.29 C ATOM 869 CG1 ILE A 261 -3.922 9.257 -3.783 1.00 0.32 C ATOM 870 CG2 ILE A 261 -1.998 10.420 -2.703 1.00 0.33 C ATOM 871 CD1 ILE A 261 -4.930 10.137 -3.071 1.00 0.39 C ATOM 0 H ILE A 261 -2.986 6.618 -3.481 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.358 8.669 -4.716 1.00 0.27 H new ATOM 0 HB ILE A 261 -2.852 8.574 -2.066 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.697 9.690 -4.758 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.369 8.279 -3.964 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.713 11.036 -2.157 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.103 10.280 -2.097 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.731 10.916 -3.636 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.831 10.224 -3.679 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.183 9.694 -2.108 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.502 11.127 -2.914 1.00 0.39 H new ATOM 883 N PHE A 262 0.777 8.365 -3.423 1.00 0.30 N ATOM 884 CA PHE A 262 2.014 8.195 -2.670 1.00 0.32 C ATOM 885 C PHE A 262 2.213 9.332 -1.666 1.00 0.30 C ATOM 886 O PHE A 262 2.036 10.504 -1.999 1.00 0.37 O ATOM 887 CB PHE A 262 3.219 8.076 -3.618 1.00 0.46 C ATOM 888 CG PHE A 262 3.357 9.203 -4.608 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.975 10.387 -4.243 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.855 9.086 -5.895 1.00 0.84 C ATOM 891 CE1 PHE A 262 4.091 11.431 -5.140 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.969 10.126 -6.796 1.00 1.09 C ATOM 893 CZ PHE A 262 3.633 11.266 -6.452 1.00 1.18 C ATOM 0 H PHE A 262 0.890 8.794 -4.341 1.00 0.30 H new ATOM 0 HA PHE A 262 1.937 7.266 -2.104 1.00 0.32 H new ATOM 0 HB2 PHE A 262 4.129 8.022 -3.021 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.141 7.137 -4.166 1.00 0.46 H new ATOM 0 HD1 PHE A 262 4.371 10.496 -3.244 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.369 8.170 -6.197 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.532 12.367 -4.831 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.530 10.036 -7.779 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.805 12.037 -7.188 1.00 1.18 H new ATOM 903 N GLU A 263 2.530 8.982 -0.422 1.00 0.26 N ATOM 904 CA GLU A 263 2.734 9.987 0.614 1.00 0.30 C ATOM 905 C GLU A 263 3.878 9.591 1.546 1.00 0.28 C ATOM 906 O GLU A 263 3.938 8.458 2.033 1.00 0.33 O ATOM 907 CB GLU A 263 1.452 10.205 1.424 1.00 0.37 C ATOM 908 CG GLU A 263 1.581 11.301 2.471 1.00 0.56 C ATOM 909 CD GLU A 263 0.274 11.618 3.166 1.00 1.07 C ATOM 910 OE1 GLU A 263 -0.748 10.981 2.845 1.00 1.79 O ATOM 911 OE2 GLU A 263 0.260 12.523 4.025 1.00 1.73 O ATOM 0 H GLU A 263 2.650 8.018 -0.110 1.00 0.26 H new ATOM 0 HA GLU A 263 2.998 10.921 0.118 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.639 10.456 0.743 1.00 0.37 H new ATOM 0 HB3 GLU A 263 1.179 9.272 1.917 1.00 0.37 H new ATOM 0 HG2 GLU A 263 2.317 10.998 3.216 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.961 12.205 1.996 1.00 0.56 H new ATOM 918 N SER A 264 4.801 10.521 1.742 1.00 0.34 N ATOM 919 CA SER A 264 5.955 10.305 2.602 1.00 0.36 C ATOM 920 C SER A 264 5.672 10.825 4.009 1.00 0.34 C ATOM 921 O SER A 264 5.279 11.983 4.172 1.00 0.39 O ATOM 922 CB SER A 264 7.169 11.046 2.037 1.00 0.46 C ATOM 923 OG SER A 264 7.236 10.923 0.629 1.00 1.41 O ATOM 0 H SER A 264 4.771 11.445 1.310 1.00 0.34 H new ATOM 0 HA SER A 264 6.158 9.235 2.644 1.00 0.36 H new ATOM 0 HB2 SER A 264 7.114 12.100 2.310 1.00 0.46 H new ATOM 0 HB3 SER A 264 8.081 10.648 2.483 1.00 0.46 H new ATOM 0 HG SER A 264 8.020 11.407 0.295 1.00 1.41 H new ATOM 929 N ILE A 265 5.902 9.995 5.021 1.00 0.31 N ATOM 930 CA ILE A 265 5.732 10.428 6.402 1.00 0.34 C ATOM 931 C ILE A 265 6.943 10.022 7.246 1.00 0.38 C ATOM 932 O ILE A 265 6.973 8.927 7.815 1.00 0.42 O ATOM 933 CB ILE A 265 4.447 9.830 7.030 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.225 10.161 6.163 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.252 10.353 8.447 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.937 9.538 6.656 1.00 1.31 C ATOM 0 H ILE A 265 6.204 9.027 4.912 1.00 0.31 H new ATOM 0 HA ILE A 265 5.642 11.514 6.392 1.00 0.34 H new ATOM 0 HB ILE A 265 4.557 8.746 7.076 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.102 11.243 6.124 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.413 9.824 5.143 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.345 9.923 8.872 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.109 10.072 9.060 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.162 11.439 8.425 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.120 9.818 5.991 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.039 8.453 6.668 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.723 9.894 7.664 1.00 1.31 H new ATOM 948 N GLY A 266 7.921 10.924 7.350 1.00 0.48 N ATOM 949 CA GLY A 266 9.104 10.669 8.162 1.00 0.65 C ATOM 950 C GLY A 266 9.710 9.306 7.892 1.00 0.86 C ATOM 951 O GLY A 266 9.670 8.434 8.763 1.00 1.93 O ATOM 0 H GLY A 266 7.914 11.831 6.884 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.849 11.440 7.965 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.840 10.743 9.217 1.00 0.65 H new ATOM 955 N ALA A 267 10.077 9.075 6.630 1.00 0.48 N ATOM 956 CA ALA A 267 10.522 7.765 6.142 1.00 0.39 C ATOM 957 C ALA A 267 9.356 6.816 5.957 1.00 0.30 C ATOM 958 O ALA A 267 9.318 6.063 4.983 1.00 0.32 O ATOM 959 CB ALA A 267 11.546 7.114 7.048 1.00 0.44 C ATOM 0 H ALA A 267 10.074 9.798 5.910 1.00 0.48 H new ATOM 0 HA ALA A 267 10.994 7.960 5.179 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.836 6.148 6.634 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.424 7.755 7.124 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.115 6.970 8.039 1.00 0.44 H new ATOM 965 N LYS A 268 8.429 6.809 6.908 1.00 0.26 N ATOM 966 CA LYS A 268 7.292 5.923 6.818 1.00 0.25 C ATOM 967 C LYS A 268 6.441 6.308 5.627 1.00 0.29 C ATOM 968 O LYS A 268 5.874 7.398 5.559 1.00 0.47 O ATOM 969 CB LYS A 268 6.467 5.911 8.107 1.00 0.28 C ATOM 970 CG LYS A 268 7.166 5.206 9.257 1.00 0.30 C ATOM 971 CD LYS A 268 6.175 4.731 10.309 1.00 0.41 C ATOM 972 CE LYS A 268 5.533 5.891 11.052 1.00 1.20 C ATOM 973 NZ LYS A 268 6.499 6.592 11.940 1.00 2.00 N ATOM 0 H LYS A 268 8.448 7.402 7.738 1.00 0.26 H new ATOM 0 HA LYS A 268 7.663 4.907 6.679 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.246 6.938 8.399 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.512 5.421 7.915 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.728 4.354 8.874 1.00 0.30 H new ATOM 0 HG3 LYS A 268 7.887 5.883 9.715 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.399 4.132 9.832 1.00 0.41 H new ATOM 0 HD3 LYS A 268 6.685 4.082 11.021 1.00 0.41 H new ATOM 0 HE2 LYS A 268 5.124 6.600 10.332 1.00 1.20 H new ATOM 0 HE3 LYS A 268 4.697 5.522 11.646 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 5.985 7.249 12.562 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 7.008 5.894 12.519 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 7.180 7.124 11.361 1.00 2.00 H new ATOM 987 N ARG A 269 6.444 5.437 4.651 1.00 0.16 N ATOM 988 CA ARG A 269 5.742 5.661 3.421 1.00 0.16 C ATOM 989 C ARG A 269 4.286 5.250 3.541 1.00 0.18 C ATOM 990 O ARG A 269 3.955 4.286 4.225 1.00 0.17 O ATOM 991 CB ARG A 269 6.416 4.894 2.290 1.00 0.20 C ATOM 992 CG ARG A 269 5.638 4.962 1.005 1.00 0.53 C ATOM 993 CD ARG A 269 5.599 6.385 0.464 1.00 0.79 C ATOM 994 NE ARG A 269 6.919 6.863 0.065 1.00 0.69 N ATOM 995 CZ ARG A 269 7.135 8.035 -0.529 1.00 0.97 C ATOM 996 NH1 ARG A 269 6.111 8.801 -0.894 1.00 1.85 N ATOM 997 NH2 ARG A 269 8.375 8.429 -0.782 1.00 1.17 N ATOM 0 H ARG A 269 6.939 4.546 4.691 1.00 0.16 H new ATOM 0 HA ARG A 269 5.773 6.727 3.198 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.416 5.297 2.127 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.536 3.851 2.584 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.091 4.301 0.266 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.622 4.605 1.172 1.00 0.53 H new ATOM 0 HD2 ARG A 269 4.926 6.427 -0.392 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.189 7.049 1.225 1.00 0.79 H new ATOM 0 HE ARG A 269 7.723 6.264 0.252 1.00 0.69 H new ATOM 0 HH11 ARG A 269 5.155 8.492 -0.719 1.00 1.85 H new ATOM 0 HH12 ARG A 269 6.282 9.698 -1.349 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.162 7.835 -0.522 1.00 1.17 H new ATOM 0 HH22 ARG A 269 8.542 9.326 -1.237 1.00 1.17 H new ATOM 1011 N THR A 270 3.420 5.984 2.876 1.00 0.18 N ATOM 1012 CA THR A 270 2.019 5.648 2.856 1.00 0.18 C ATOM 1013 C THR A 270 1.456 5.734 1.443 1.00 0.19 C ATOM 1014 O THR A 270 1.700 6.702 0.713 1.00 0.22 O ATOM 1015 CB THR A 270 1.213 6.567 3.796 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.619 6.364 5.160 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.275 6.308 3.663 1.00 0.24 C ATOM 0 H THR A 270 3.665 6.818 2.342 1.00 0.18 H new ATOM 0 HA THR A 270 1.926 4.621 3.209 1.00 0.18 H new ATOM 0 HB THR A 270 1.413 7.600 3.510 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.008 5.732 5.593 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.821 6.969 4.336 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.587 6.498 2.636 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.488 5.271 3.921 1.00 0.24 H new ATOM 1025 N LEU A 271 0.685 4.717 1.081 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.011 4.694 -0.192 1.00 0.17 C ATOM 1027 C LEU A 271 -1.496 4.954 0.047 1.00 0.16 C ATOM 1028 O LEU A 271 -2.229 4.060 0.452 1.00 0.17 O ATOM 1029 CB LEU A 271 0.191 3.331 -0.866 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.228 3.210 -2.340 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.719 2.935 -2.474 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.168 4.458 -3.109 1.00 0.49 C ATOM 0 H LEU A 271 0.527 3.892 1.659 1.00 0.17 H new ATOM 0 HA LEU A 271 0.388 5.468 -0.847 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.247 3.070 -0.792 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.362 2.586 -0.295 1.00 0.20 H new ATOM 0 HG LEU A 271 0.299 2.359 -2.771 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -1.981 2.855 -3.529 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -1.964 2.001 -1.968 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.282 3.751 -2.021 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.136 4.355 -4.151 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.324 5.327 -2.671 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.249 4.589 -3.058 1.00 0.49 H new ATOM 1044 N THR A 272 -1.937 6.169 -0.186 1.00 0.18 N ATOM 1045 CA THR A 272 -3.327 6.505 0.022 1.00 0.21 C ATOM 1046 C THR A 272 -4.179 5.977 -1.126 1.00 0.22 C ATOM 1047 O THR A 272 -3.981 6.329 -2.286 1.00 0.29 O ATOM 1048 CB THR A 272 -3.517 8.022 0.168 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.492 8.560 1.016 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.879 8.332 0.761 1.00 0.30 C ATOM 0 H THR A 272 -1.356 6.939 -0.518 1.00 0.18 H new ATOM 0 HA THR A 272 -3.650 6.032 0.950 1.00 0.21 H new ATOM 0 HB THR A 272 -3.451 8.477 -0.820 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.616 9.528 1.105 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.997 9.411 0.857 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.658 7.939 0.108 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.962 7.869 1.744 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.081 5.082 -0.803 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.928 4.461 -1.797 1.00 0.26 C ATOM 1060 C ILE A 273 -7.364 4.962 -1.652 1.00 0.28 C ATOM 1061 O ILE A 273 -8.000 4.794 -0.608 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.838 2.904 -1.717 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.269 2.347 -3.020 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.179 2.240 -1.409 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.151 2.597 -4.222 1.00 0.86 C ATOM 0 H ILE A 273 -5.250 4.764 0.151 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.575 4.746 -2.788 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.173 2.670 -0.886 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.290 2.793 -3.199 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.115 1.274 -2.910 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.048 1.159 -1.367 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.550 2.598 -0.449 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.896 2.489 -2.191 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.683 2.174 -5.111 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.122 2.128 -4.065 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.285 3.670 -4.358 1.00 0.86 H new ATOM 1077 N SER A 274 -7.836 5.648 -2.681 1.00 0.33 N ATOM 1078 CA SER A 274 -9.187 6.175 -2.690 1.00 0.39 C ATOM 1079 C SER A 274 -10.076 5.268 -3.520 1.00 0.45 C ATOM 1080 O SER A 274 -9.566 4.465 -4.301 1.00 0.50 O ATOM 1081 CB SER A 274 -9.214 7.597 -3.250 1.00 0.52 C ATOM 1082 OG SER A 274 -8.330 8.442 -2.532 1.00 1.13 O ATOM 0 H SER A 274 -7.299 5.852 -3.524 1.00 0.33 H new ATOM 0 HA SER A 274 -9.557 6.210 -1.665 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.934 7.582 -4.303 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.228 7.994 -3.195 1.00 0.52 H new ATOM 0 HG SER A 274 -7.494 8.541 -3.033 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.391 5.382 -3.335 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.346 4.559 -4.072 1.00 0.62 C ATOM 1090 C GLN A 275 -12.038 3.088 -3.846 1.00 0.62 C ATOM 1091 O GLN A 275 -11.683 2.355 -4.772 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.313 4.901 -5.563 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.500 6.384 -5.835 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.919 6.870 -5.590 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.834 5.957 -5.299 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -14.195 8.065 -5.681 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.818 6.037 -2.680 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.351 4.766 -3.705 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.361 4.577 -5.984 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.095 4.341 -6.076 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -11.816 6.950 -5.203 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.226 6.593 -6.869 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -13.465 8.741 -5.907 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -15.153 8.380 -5.531 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.136 2.681 -2.594 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.820 1.342 -2.191 1.00 0.69 C ATOM 1107 C CYS A 276 -12.597 1.080 -0.940 1.00 0.75 C ATOM 1108 O CYS A 276 -12.597 1.903 -0.020 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.318 1.183 -1.942 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.840 -0.419 -1.255 1.00 2.00 S ATOM 0 H CYS A 276 -12.441 3.283 -1.829 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.083 0.629 -2.972 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.788 1.334 -2.883 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.990 1.969 -1.262 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.077 -0.236 -0.218 1.00 2.00 H new ATOM 1116 N SER A 277 -13.490 0.140 -1.038 1.00 0.54 N ATOM 1117 CA SER A 277 -14.468 -0.016 -0.015 1.00 0.52 C ATOM 1118 C SER A 277 -14.957 -1.458 0.022 1.00 0.48 C ATOM 1119 O SER A 277 -14.175 -2.379 -0.231 1.00 0.47 O ATOM 1120 CB SER A 277 -15.626 0.939 -0.294 1.00 0.56 C ATOM 1121 OG SER A 277 -16.151 0.734 -1.597 1.00 0.63 O ATOM 0 H SER A 277 -13.558 -0.523 -1.811 1.00 0.54 H new ATOM 0 HA SER A 277 -14.033 0.218 0.957 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.412 0.790 0.446 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.285 1.969 -0.193 1.00 0.56 H new ATOM 0 HG SER A 277 -16.893 1.356 -1.752 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.259 -1.647 0.245 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.862 -2.978 0.279 1.00 0.54 C ATOM 1129 C LEU A 278 -16.963 -3.590 -1.128 1.00 0.58 C ATOM 1130 O LEU A 278 -18.025 -4.067 -1.536 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.255 -2.922 0.917 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.304 -3.139 2.433 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.798 -4.527 2.793 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.502 -2.072 3.161 1.00 0.79 C ATOM 0 H LEU A 278 -16.920 -0.887 0.406 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.213 -3.613 0.882 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.697 -1.951 0.694 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.882 -3.675 0.441 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.343 -3.058 2.752 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.841 -4.661 3.874 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.422 -5.279 2.309 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.768 -4.638 2.454 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.553 -2.248 4.235 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.463 -2.113 2.835 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.915 -1.089 2.935 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.868 -3.539 -1.871 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.826 -4.051 -3.234 1.00 0.61 C ATOM 1148 C ALA A 279 -14.384 -4.259 -3.676 1.00 0.58 C ATOM 1149 O ALA A 279 -14.023 -5.320 -4.182 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.537 -3.096 -4.184 1.00 0.71 C ATOM 0 H ALA A 279 -14.985 -3.143 -1.548 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.341 -5.011 -3.259 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -16.496 -3.494 -5.198 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.578 -2.987 -3.879 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -16.047 -2.123 -4.156 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.556 -3.244 -3.457 1.00 0.56 N ATOM 1157 CA ASP A 280 -12.140 -3.310 -3.814 1.00 0.59 C ATOM 1158 C ASP A 280 -11.411 -4.330 -2.931 1.00 0.50 C ATOM 1159 O ASP A 280 -10.410 -4.909 -3.348 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.507 -1.919 -3.694 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.180 -1.793 -4.424 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -9.184 -2.397 -3.979 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -10.129 -1.092 -5.461 1.00 1.84 O ATOM 0 H ASP A 280 -13.840 -2.361 -3.032 1.00 0.56 H new ATOM 0 HA ASP A 280 -12.047 -3.641 -4.848 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -12.202 -1.177 -4.088 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -11.356 -1.687 -2.640 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.992 -4.592 -1.750 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.502 -5.606 -0.791 1.00 0.33 C ATOM 1170 C ASP A 281 -10.806 -6.784 -1.476 1.00 0.34 C ATOM 1171 O ASP A 281 -11.393 -7.462 -2.327 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.687 -6.118 0.036 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.429 -7.461 0.695 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.586 -7.541 1.606 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -13.091 -8.447 0.313 1.00 0.81 O ATOM 0 H ASP A 281 -12.826 -4.102 -1.426 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.759 -5.127 -0.154 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.927 -5.384 0.806 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.562 -6.201 -0.609 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.543 -7.002 -1.114 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.720 -8.048 -1.720 1.00 0.37 C ATOM 1182 C ALA A 282 -7.354 -8.111 -1.048 1.00 0.35 C ATOM 1183 O ALA A 282 -7.259 -8.414 0.139 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.558 -7.805 -3.215 1.00 0.48 C ATOM 0 H ALA A 282 -9.062 -6.461 -0.395 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.225 -9.003 -1.576 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.943 -8.594 -3.647 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.538 -7.807 -3.692 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.077 -6.840 -3.377 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.304 -7.789 -1.799 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.954 -7.736 -1.254 1.00 0.17 C ATOM 1192 C ALA A 283 -4.121 -6.715 -2.016 1.00 0.15 C ATOM 1193 O ALA A 283 -4.120 -6.720 -3.248 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.293 -9.107 -1.309 1.00 0.22 C ATOM 0 H ALA A 283 -6.365 -7.560 -2.791 1.00 0.22 H new ATOM 0 HA ALA A 283 -5.017 -7.431 -0.209 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.286 -9.042 -0.897 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.879 -9.817 -0.726 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.240 -9.444 -2.344 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.351 -5.907 -1.295 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.418 -4.982 -1.928 1.00 0.13 C ATOM 1202 C TYR A 284 -0.996 -5.224 -1.417 1.00 0.14 C ATOM 1203 O TYR A 284 -0.669 -4.911 -0.277 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.795 -3.505 -1.700 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.922 -2.967 -2.568 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.886 -3.831 -3.092 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.039 -1.614 -2.856 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -5.922 -3.356 -3.871 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.075 -1.137 -3.632 1.00 0.32 C ATOM 1210 CZ TYR A 284 -5.955 -1.954 -4.174 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.048 -1.531 -4.905 1.00 0.41 O ATOM 0 H TYR A 284 -3.354 -5.874 -0.276 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.470 -5.176 -2.999 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.075 -3.379 -0.654 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.909 -2.893 -1.868 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.820 -4.889 -2.884 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.306 -0.923 -2.466 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.687 -4.022 -4.242 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.166 -0.074 -3.798 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.830 -2.072 -4.667 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.133 -5.663 -2.314 1.00 0.13 N ATOM 1222 CA GLN A 285 1.279 -5.804 -2.041 1.00 0.13 C ATOM 1223 C GLN A 285 1.971 -4.454 -2.178 1.00 0.12 C ATOM 1224 O GLN A 285 1.381 -3.491 -2.665 1.00 0.13 O ATOM 1225 CB GLN A 285 1.924 -6.811 -3.003 1.00 0.12 C ATOM 1226 CG GLN A 285 1.302 -8.195 -2.968 1.00 0.15 C ATOM 1227 CD GLN A 285 0.057 -8.331 -3.821 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.146 -7.415 -4.759 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.710 -9.278 -3.654 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.398 -5.934 -3.261 1.00 0.13 H new ATOM 0 HA GLN A 285 1.394 -6.173 -1.022 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.856 -6.420 -4.018 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.984 -6.896 -2.764 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.041 -8.923 -3.303 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.053 -8.445 -1.937 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.522 -9.964 -2.922 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.534 -9.378 -4.247 1.00 0.18 H new ATOM 1238 N CYS A 286 3.218 -4.390 -1.760 1.00 0.14 N ATOM 1239 CA CYS A 286 3.977 -3.150 -1.818 1.00 0.19 C ATOM 1240 C CYS A 286 5.291 -3.349 -2.515 1.00 0.19 C ATOM 1241 O CYS A 286 5.851 -4.434 -2.454 1.00 0.20 O ATOM 1242 CB CYS A 286 4.213 -2.640 -0.436 1.00 0.28 C ATOM 1243 SG CYS A 286 4.982 -3.825 0.689 1.00 1.00 S ATOM 0 H CYS A 286 3.732 -5.182 -1.375 1.00 0.14 H new ATOM 0 HA CYS A 286 3.397 -2.422 -2.386 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.844 -1.753 -0.494 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.259 -2.325 -0.013 1.00 0.28 H new ATOM 0 HG CYS A 286 6.227 -3.500 0.877 1.00 1.00 H new ATOM 1249 N VAL A 287 5.641 -2.406 -3.375 1.00 0.20 N ATOM 1250 CA VAL A 287 6.701 -2.660 -4.319 1.00 0.21 C ATOM 1251 C VAL A 287 7.608 -1.445 -4.548 1.00 0.22 C ATOM 1252 O VAL A 287 7.167 -0.298 -4.706 1.00 0.24 O ATOM 1253 CB VAL A 287 6.093 -3.197 -5.648 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.620 -3.548 -5.434 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.256 -2.223 -6.808 1.00 0.27 C ATOM 0 H VAL A 287 5.215 -1.481 -3.435 1.00 0.20 H new ATOM 0 HA VAL A 287 7.354 -3.422 -3.893 1.00 0.21 H new ATOM 0 HB VAL A 287 6.647 -4.094 -5.924 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.196 -3.924 -6.365 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.537 -4.314 -4.663 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.075 -2.657 -5.121 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.813 -2.651 -7.707 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.755 -1.285 -6.568 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.316 -2.035 -6.979 1.00 0.27 H new ATOM 1265 N VAL A 288 8.895 -1.720 -4.542 1.00 0.24 N ATOM 1266 CA VAL A 288 9.904 -0.707 -4.768 1.00 0.26 C ATOM 1267 C VAL A 288 10.930 -1.245 -5.751 1.00 0.33 C ATOM 1268 O VAL A 288 11.536 -2.293 -5.512 1.00 0.37 O ATOM 1269 CB VAL A 288 10.598 -0.297 -3.450 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.862 0.483 -3.726 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.666 0.527 -2.580 1.00 0.36 C ATOM 0 H VAL A 288 9.272 -2.654 -4.380 1.00 0.24 H new ATOM 0 HA VAL A 288 9.422 0.182 -5.176 1.00 0.26 H new ATOM 0 HB VAL A 288 10.859 -1.211 -2.917 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.332 0.760 -2.782 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.549 -0.132 -4.307 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.618 1.384 -4.288 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.178 0.803 -1.658 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.371 1.429 -3.116 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.779 -0.059 -2.341 1.00 0.36 H new ATOM 1281 N GLY A 289 11.000 -0.618 -6.919 1.00 0.43 N ATOM 1282 CA GLY A 289 11.834 -1.119 -7.995 1.00 0.57 C ATOM 1283 C GLY A 289 11.197 -2.297 -8.715 1.00 0.73 C ATOM 1284 O GLY A 289 11.231 -2.383 -9.943 1.00 1.51 O ATOM 0 H GLY A 289 10.489 0.236 -7.141 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.023 -0.318 -8.709 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.801 -1.421 -7.592 1.00 0.57 H new ATOM 1288 N GLY A 290 10.624 -3.207 -7.945 1.00 0.41 N ATOM 1289 CA GLY A 290 9.990 -4.383 -8.503 1.00 0.41 C ATOM 1290 C GLY A 290 9.552 -5.337 -7.415 1.00 0.37 C ATOM 1291 O GLY A 290 8.553 -6.044 -7.557 1.00 0.64 O ATOM 0 H GLY A 290 10.587 -3.150 -6.927 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.127 -4.086 -9.099 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.683 -4.888 -9.176 1.00 0.41 H new ATOM 1295 N GLU A 291 10.316 -5.356 -6.330 1.00 0.27 N ATOM 1296 CA GLU A 291 10.042 -6.228 -5.196 1.00 0.22 C ATOM 1297 C GLU A 291 8.685 -5.917 -4.572 1.00 0.16 C ATOM 1298 O GLU A 291 8.451 -4.794 -4.150 1.00 0.19 O ATOM 1299 CB GLU A 291 11.144 -6.055 -4.146 1.00 0.26 C ATOM 1300 CG GLU A 291 12.448 -6.733 -4.526 1.00 0.53 C ATOM 1301 CD GLU A 291 12.303 -8.223 -4.791 1.00 1.48 C ATOM 1302 OE1 GLU A 291 11.201 -8.779 -4.594 1.00 2.19 O ATOM 1303 OE2 GLU A 291 13.302 -8.851 -5.195 1.00 2.11 O ATOM 0 H GLU A 291 11.141 -4.768 -6.212 1.00 0.27 H new ATOM 0 HA GLU A 291 10.022 -7.258 -5.551 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.327 -4.991 -3.993 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.797 -6.459 -3.195 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.852 -6.252 -5.416 1.00 0.53 H new ATOM 0 HG3 GLU A 291 13.173 -6.583 -3.726 1.00 0.53 H new ATOM 1310 N LYS A 292 7.826 -6.933 -4.455 1.00 0.18 N ATOM 1311 CA LYS A 292 6.508 -6.769 -3.837 1.00 0.16 C ATOM 1312 C LYS A 292 6.379 -7.563 -2.529 1.00 0.17 C ATOM 1313 O LYS A 292 6.816 -8.708 -2.440 1.00 0.29 O ATOM 1314 CB LYS A 292 5.408 -7.173 -4.815 1.00 0.18 C ATOM 1315 CG LYS A 292 5.702 -8.441 -5.591 1.00 0.23 C ATOM 1316 CD LYS A 292 4.580 -8.749 -6.564 1.00 0.29 C ATOM 1317 CE LYS A 292 4.963 -9.859 -7.530 1.00 0.49 C ATOM 1318 NZ LYS A 292 5.289 -11.131 -6.830 1.00 1.33 N ATOM 0 H LYS A 292 8.020 -7.880 -4.781 1.00 0.18 H new ATOM 0 HA LYS A 292 6.396 -5.714 -3.588 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.477 -7.306 -4.263 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.247 -6.358 -5.520 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.641 -8.331 -6.134 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.829 -9.274 -4.900 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.688 -9.040 -6.010 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.327 -7.849 -7.125 1.00 0.29 H new ATOM 0 HE2 LYS A 292 4.142 -10.030 -8.226 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.822 -9.542 -8.122 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 5.395 -11.894 -7.528 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.178 -11.019 -6.303 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.522 -11.370 -6.169 1.00 1.33 H new ATOM 1332 N CYS A 293 5.758 -6.941 -1.524 1.00 0.16 N ATOM 1333 CA CYS A 293 5.479 -7.592 -0.242 1.00 0.18 C ATOM 1334 C CYS A 293 3.977 -7.599 -0.056 1.00 0.15 C ATOM 1335 O CYS A 293 3.336 -6.576 -0.272 1.00 0.14 O ATOM 1336 CB CYS A 293 6.121 -6.852 0.940 1.00 0.28 C ATOM 1337 SG CYS A 293 6.164 -7.812 2.474 1.00 1.55 S ATOM 0 H CYS A 293 5.435 -5.975 -1.576 1.00 0.16 H new ATOM 0 HA CYS A 293 5.898 -8.598 -0.261 1.00 0.18 H new ATOM 0 HB2 CYS A 293 7.139 -6.572 0.670 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.572 -5.927 1.118 1.00 0.28 H new ATOM 0 HG CYS A 293 6.457 -9.049 2.203 1.00 1.55 H new ATOM 1343 N SER A 294 3.403 -8.762 0.173 1.00 0.17 N ATOM 1344 CA SER A 294 1.962 -8.899 0.132 1.00 0.18 C ATOM 1345 C SER A 294 1.288 -8.495 1.428 1.00 0.17 C ATOM 1346 O SER A 294 1.698 -8.891 2.522 1.00 0.20 O ATOM 1347 CB SER A 294 1.576 -10.330 -0.242 1.00 0.27 C ATOM 1348 OG SER A 294 2.211 -11.271 0.607 1.00 0.61 O ATOM 0 H SER A 294 3.909 -9.621 0.388 1.00 0.17 H new ATOM 0 HA SER A 294 1.605 -8.210 -0.633 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.494 -10.447 -0.174 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.854 -10.525 -1.278 1.00 0.27 H new ATOM 0 HG SER A 294 1.945 -12.178 0.347 1.00 0.61 H new ATOM 1354 N THR A 295 0.185 -7.793 1.272 1.00 0.17 N ATOM 1355 CA THR A 295 -0.655 -7.410 2.375 1.00 0.15 C ATOM 1356 C THR A 295 -2.107 -7.488 1.923 1.00 0.15 C ATOM 1357 O THR A 295 -2.434 -7.083 0.810 1.00 0.15 O ATOM 1358 CB THR A 295 -0.294 -5.985 2.866 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.066 -6.029 4.249 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.430 -4.991 2.667 1.00 0.20 C ATOM 0 H THR A 295 -0.152 -7.472 0.365 1.00 0.17 H new ATOM 0 HA THR A 295 -0.501 -8.087 3.215 1.00 0.15 H new ATOM 0 HB THR A 295 0.547 -5.641 2.265 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.138 -5.167 4.668 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.122 -4.010 3.028 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.676 -4.927 1.607 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.306 -5.324 3.223 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.945 -8.143 2.701 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.328 -8.316 2.312 1.00 0.15 C ATOM 1370 C GLU A 296 -5.102 -7.047 2.606 1.00 0.14 C ATOM 1371 O GLU A 296 -4.730 -6.273 3.486 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.942 -9.516 3.018 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.131 -10.779 2.835 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.904 -12.027 3.195 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.995 -12.240 2.627 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -4.433 -12.791 4.063 1.00 0.76 O ATOM 0 H GLU A 296 -2.695 -8.560 3.598 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.376 -8.511 1.241 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.033 -9.299 4.082 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.951 -9.679 2.638 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.802 -10.847 1.798 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.234 -10.722 3.451 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.091 -6.773 1.791 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.854 -5.555 1.912 1.00 0.15 C ATOM 1385 C LEU A 297 -8.295 -5.874 2.266 1.00 0.15 C ATOM 1386 O LEU A 297 -9.069 -6.311 1.414 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.782 -4.764 0.605 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.376 -3.364 0.667 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.741 -2.587 1.807 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.160 -2.646 -0.653 1.00 0.29 C ATOM 0 H LEU A 297 -6.388 -7.383 1.030 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.431 -4.946 2.711 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.738 -4.686 0.302 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.298 -5.327 -0.172 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.449 -3.437 0.847 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.169 -1.585 1.848 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.932 -3.102 2.749 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.666 -2.515 1.644 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.589 -1.645 -0.597 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.092 -2.572 -0.856 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.644 -3.204 -1.454 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.642 -5.606 3.512 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.992 -5.806 4.015 1.00 0.19 C ATOM 1404 C PHE A 298 -10.646 -4.456 4.237 1.00 0.19 C ATOM 1405 O PHE A 298 -9.956 -3.467 4.454 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.987 -6.601 5.327 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.493 -8.015 5.193 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.140 -8.276 5.064 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.378 -9.079 5.174 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.677 -9.570 4.926 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.920 -10.376 5.037 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.591 -10.635 4.981 1.00 0.45 C ATOM 0 H PHE A 298 -7.992 -5.241 4.209 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.554 -6.379 3.278 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.364 -6.078 6.052 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.999 -6.619 5.731 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.436 -7.457 5.071 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.438 -8.894 5.267 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.624 -9.761 4.778 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.627 -11.190 4.974 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.236 -11.655 4.979 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.950 -4.375 4.095 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.617 -3.099 4.255 1.00 0.28 C ATOM 1424 C VAL A 299 -13.639 -3.123 5.387 1.00 0.32 C ATOM 1425 O VAL A 299 -14.493 -4.008 5.467 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.294 -2.634 2.949 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.336 -3.625 2.488 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.906 -1.256 3.127 1.00 0.35 C ATOM 0 H VAL A 299 -12.562 -5.160 3.873 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.837 -2.383 4.513 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.527 -2.575 2.177 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.794 -3.268 1.566 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.865 -4.591 2.309 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.102 -3.732 3.256 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.379 -0.945 2.196 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.653 -1.289 3.920 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.126 -0.543 3.394 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.612 -2.070 6.183 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.615 -1.831 7.196 1.00 0.41 C ATOM 1440 C LYS A 300 -15.535 -0.714 6.720 1.00 0.40 C ATOM 1441 O LYS A 300 -15.074 0.251 6.103 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.949 -1.453 8.523 1.00 0.48 C ATOM 1443 CG LYS A 300 -13.450 -2.648 9.323 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.573 -3.635 9.616 1.00 1.72 C ATOM 1445 CE LYS A 300 -14.090 -4.828 10.432 1.00 2.32 C ATOM 1446 NZ LYS A 300 -13.802 -4.464 11.845 1.00 3.03 N ATOM 0 H LYS A 300 -12.887 -1.354 6.142 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.199 -2.737 7.360 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.110 -0.787 8.321 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.661 -0.893 9.130 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -12.657 -3.152 8.770 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -13.014 -2.303 10.261 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -15.371 -3.126 10.157 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -14.999 -3.988 8.677 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -14.846 -5.612 10.408 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -13.190 -5.239 9.974 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -13.493 -5.310 12.365 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -13.050 -3.747 11.872 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -14.662 -4.081 12.287 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.830 -0.873 6.936 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.793 0.117 6.483 1.00 0.57 C ATOM 1462 C GLU A 301 -17.587 1.441 7.219 1.00 0.65 C ATOM 1463 O GLU A 301 -17.230 1.407 8.418 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.224 -0.377 6.702 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.637 -1.489 5.757 1.00 0.66 C ATOM 1466 CD GLU A 301 -21.081 -1.909 5.951 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.982 -1.063 5.752 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -21.328 -3.084 6.294 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.775 2.509 6.601 1.00 1.20 O ATOM 0 H GLU A 301 -17.237 -1.673 7.419 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.635 0.274 5.416 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.324 -0.729 7.729 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.910 0.462 6.584 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.493 -1.159 4.728 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.988 -2.351 5.909 1.00 0.66 H new TER 1476 GLU A 301