USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 692 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 276 CYS SG : rot 10:sc= -4.36! USER MOD Set 1.2: A 284 TYR OH : rot 180:sc= -0.798 USER MOD Set 2.1: A 226 SER OG : rot -66:sc= 1 USER MOD Set 2.2: A 229 HIS :FLIP no HD1:sc= 0.813 F(o=-0.47,f=1.8) USER MOD Set 3.1: A 218 LYS NZ :NH3+ 153:sc= -0.535 (180deg=-3.2!) USER MOD Set 3.2: A 223 TYR OH : rot -130:sc= 0.767 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.253 F(o=-2.4!,f=-0.25) USER MOD Single : A 217 LYS NZ :NH3+ 175:sc=-0.00446 (180deg=-0.0586) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 227 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.02) USER MOD Single : A 230 LYS NZ :NH3+ 148:sc= -1.94! (180deg=-4.44!) USER MOD Single : A 234 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.393 F(o=-2.1,f=0.39) USER MOD Single : A 245 LYS NZ :NH3+ -172:sc=-0.00961 (180deg=-0.118) USER MOD Single : A 248 LYS NZ :NH3+ 136:sc= 1.26 (180deg=-0.365) USER MOD Single : A 249 ASN :FLIP amide:sc= -0.556 F(o=-3.2!,f=-0.56) USER MOD Single : A 251 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.058) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) 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+ 157:sc= -0.0729 (180deg=-0.479) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ 140:sc= 1.26 (180deg=-0.69) USER MOD Single : A 270 THR OG1 : rot 180:sc= 0 USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 277 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.8! C(o=-16!,f=-12!) USER MOD Single : A 286 CYS SG : rot 117:sc= -7.94! USER MOD Single : A 292 LYS NZ :NH3+ -161:sc= -0.0538 (180deg=-0.399) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 295 THR OG1 : rot -152:sc= -2.64! USER MOD Single : A 300 LYS NZ :NH3+ 143:sc= -0.14 (180deg=-0.743) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.701 -2.582 -0.485 1.00 0.50 N ATOM 98 CA ALA A 214 12.459 -1.547 0.167 1.00 0.39 C ATOM 99 C ALA A 214 11.683 -1.010 1.346 1.00 0.25 C ATOM 100 O ALA A 214 11.919 0.103 1.801 1.00 0.27 O ATOM 101 CB ALA A 214 12.742 -0.437 -0.801 1.00 0.48 C ATOM 0 HA ALA A 214 13.403 -1.964 0.519 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.316 0.344 -0.302 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.314 -0.826 -1.643 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.802 -0.021 -1.162 1.00 0.48 H new ATOM 107 N PHE A 215 10.733 -1.791 1.817 1.00 0.25 N ATOM 108 CA PHE A 215 9.946 -1.407 2.959 1.00 0.18 C ATOM 109 C PHE A 215 10.518 -2.092 4.177 1.00 0.21 C ATOM 110 O PHE A 215 10.470 -3.318 4.301 1.00 0.28 O ATOM 111 CB PHE A 215 8.466 -1.771 2.750 1.00 0.20 C ATOM 112 CG PHE A 215 7.879 -1.208 1.473 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.304 -1.661 0.239 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.887 -0.241 1.512 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.757 -1.160 -0.927 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.337 0.262 0.353 1.00 0.31 C ATOM 117 CZ PHE A 215 6.828 -0.151 -0.875 1.00 0.35 C ATOM 0 H PHE A 215 10.490 -2.699 1.421 1.00 0.25 H new ATOM 0 HA PHE A 215 9.987 -0.327 3.098 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.365 -2.856 2.739 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.887 -1.406 3.598 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.074 -2.417 0.185 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.539 0.125 2.467 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.061 -1.563 -1.882 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.527 0.975 0.402 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.482 0.318 -1.785 1.00 0.35 H new ATOM 127 N GLN A 216 11.114 -1.279 5.029 1.00 0.18 N ATOM 128 CA GLN A 216 11.733 -1.730 6.259 1.00 0.21 C ATOM 129 C GLN A 216 10.754 -2.589 7.029 1.00 0.24 C ATOM 130 O GLN A 216 10.949 -3.794 7.192 1.00 0.31 O ATOM 131 CB GLN A 216 12.100 -0.506 7.084 1.00 0.20 C ATOM 132 CG GLN A 216 13.439 -0.625 7.797 1.00 0.25 C ATOM 133 CD GLN A 216 13.787 0.594 8.635 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.039 1.673 8.470 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.740 0.572 9.414 1.00 0.79 N flip ATOM 0 H GLN A 216 11.182 -0.272 4.883 1.00 0.18 H new ATOM 0 HA GLN A 216 12.625 -2.317 6.042 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.123 0.367 6.432 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.319 -0.331 7.824 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.423 -1.506 8.439 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.223 -0.784 7.057 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.296 -0.277 9.516 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.974 1.403 9.957 1.00 0.79 H new ATOM 144 N LYS A 217 9.606 -1.999 7.284 1.00 0.20 N ATOM 145 CA LYS A 217 8.480 -2.725 7.806 1.00 0.22 C ATOM 146 C LYS A 217 7.224 -2.333 7.045 1.00 0.17 C ATOM 147 O LYS A 217 6.810 -1.181 7.081 1.00 0.17 O ATOM 148 CB LYS A 217 8.312 -2.424 9.296 1.00 0.28 C ATOM 149 CG LYS A 217 6.960 -2.828 9.845 1.00 0.36 C ATOM 150 CD LYS A 217 6.835 -2.481 11.316 1.00 0.59 C ATOM 151 CE LYS A 217 5.422 -2.721 11.829 1.00 1.26 C ATOM 152 NZ LYS A 217 4.978 -4.134 11.651 1.00 1.85 N ATOM 0 H LYS A 217 9.432 -1.005 7.134 1.00 0.20 H new ATOM 0 HA LYS A 217 8.651 -3.794 7.683 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.092 -2.943 9.854 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.458 -1.357 9.462 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.172 -2.326 9.283 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.816 -3.900 9.709 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.539 -3.080 11.893 1.00 0.59 H new ATOM 0 HD3 LYS A 217 7.106 -1.436 11.469 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.374 -2.460 12.886 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.732 -2.059 11.306 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.045 -4.263 12.092 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 4.915 -4.353 10.636 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 5.665 -4.773 12.101 1.00 1.85 H new ATOM 166 N LYS A 218 6.548 -3.311 6.492 1.00 0.19 N ATOM 167 CA LYS A 218 5.241 -3.087 5.904 1.00 0.20 C ATOM 168 C LYS A 218 4.181 -3.342 6.961 1.00 0.18 C ATOM 169 O LYS A 218 4.347 -4.228 7.805 1.00 0.20 O ATOM 170 CB LYS A 218 5.025 -3.995 4.685 1.00 0.31 C ATOM 171 CG LYS A 218 3.643 -3.881 4.049 1.00 0.39 C ATOM 172 CD LYS A 218 3.565 -4.688 2.771 1.00 0.96 C ATOM 173 CE LYS A 218 2.215 -4.538 2.099 1.00 1.56 C ATOM 174 NZ LYS A 218 1.816 -3.113 1.950 1.00 2.42 N ATOM 0 H LYS A 218 6.879 -4.274 6.435 1.00 0.19 H new ATOM 0 HA LYS A 218 5.171 -2.056 5.557 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.778 -3.758 3.933 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.189 -5.030 4.985 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.886 -4.231 4.751 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.422 -2.835 3.837 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.350 -4.365 2.088 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.747 -5.740 2.992 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.246 -5.009 1.117 1.00 1.56 H new ATOM 0 HE3 LYS A 218 1.460 -5.066 2.682 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 1.178 -3.015 1.135 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 1.328 -2.797 2.812 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.663 -2.529 1.798 1.00 2.42 H new ATOM 188 N LEU A 219 3.116 -2.551 6.944 1.00 0.16 N ATOM 189 CA LEU A 219 2.031 -2.727 7.895 1.00 0.16 C ATOM 190 C LEU A 219 1.457 -4.141 7.769 1.00 0.16 C ATOM 191 O LEU A 219 1.737 -4.839 6.790 1.00 0.17 O ATOM 192 CB LEU A 219 0.937 -1.680 7.674 1.00 0.20 C ATOM 193 CG LEU A 219 0.661 -0.744 8.857 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.002 -1.498 9.999 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.948 -0.079 9.326 1.00 1.62 C ATOM 0 H LEU A 219 2.982 -1.785 6.284 1.00 0.16 H new ATOM 0 HA LEU A 219 2.424 -2.592 8.903 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.210 -1.073 6.811 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.011 -2.197 7.420 1.00 0.20 H new ATOM 0 HG LEU A 219 -0.025 0.034 8.522 1.00 0.66 H new ATOM 0 HD11 LEU A 219 -0.184 -0.814 10.827 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.943 -1.921 9.658 1.00 1.20 H new ATOM 0 HD13 LEU A 219 0.660 -2.301 10.332 1.00 1.20 H new ATOM 0 HD21 LEU A 219 1.731 0.581 10.166 1.00 1.62 H new ATOM 0 HD22 LEU A 219 2.659 -0.843 9.639 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.376 0.502 8.509 1.00 1.62 H new ATOM 207 N GLU A 220 0.755 -4.589 8.801 1.00 0.17 N ATOM 208 CA GLU A 220 0.259 -5.965 8.876 1.00 0.20 C ATOM 209 C GLU A 220 -0.429 -6.413 7.583 1.00 0.19 C ATOM 210 O GLU A 220 -1.028 -5.604 6.873 1.00 0.19 O ATOM 211 CB GLU A 220 -0.712 -6.090 10.047 1.00 0.23 C ATOM 212 CG GLU A 220 -1.928 -5.180 9.937 1.00 0.24 C ATOM 213 CD GLU A 220 -2.742 -5.172 11.209 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.256 -4.649 12.229 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.886 -5.668 11.188 1.00 1.12 O ATOM 0 H GLU A 220 0.512 -4.015 9.609 1.00 0.17 H new ATOM 0 HA GLU A 220 1.120 -6.617 9.024 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.049 -7.124 10.119 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.182 -5.863 10.972 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.603 -4.165 9.708 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.554 -5.509 9.107 1.00 0.24 H new ATOM 222 N PRO A 221 -0.298 -7.708 7.233 1.00 0.22 N ATOM 223 CA PRO A 221 -0.865 -8.286 5.999 1.00 0.23 C ATOM 224 C PRO A 221 -2.394 -8.299 5.982 1.00 0.20 C ATOM 225 O PRO A 221 -3.000 -9.161 5.350 1.00 0.19 O ATOM 226 CB PRO A 221 -0.328 -9.724 5.987 1.00 0.29 C ATOM 227 CG PRO A 221 0.809 -9.728 6.950 1.00 0.57 C ATOM 228 CD PRO A 221 0.459 -8.713 7.996 1.00 0.26 C ATOM 0 HA PRO A 221 -0.581 -7.696 5.128 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.099 -10.434 6.286 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.001 -10.012 4.989 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.944 -10.715 7.392 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.744 -9.471 6.453 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.139 -9.147 8.797 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.349 -8.285 8.458 1.00 0.26 H new ATOM 236 N ALA A 222 -2.995 -7.266 6.544 1.00 0.20 N ATOM 237 CA ALA A 222 -4.433 -7.090 6.513 1.00 0.19 C ATOM 238 C ALA A 222 -4.786 -5.633 6.764 1.00 0.15 C ATOM 239 O ALA A 222 -5.162 -5.254 7.875 1.00 0.17 O ATOM 240 CB ALA A 222 -5.115 -7.978 7.535 1.00 0.24 C ATOM 0 H ALA A 222 -2.497 -6.524 7.036 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.789 -7.379 5.524 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.193 -7.824 7.489 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.888 -9.022 7.319 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.755 -7.727 8.533 1.00 0.24 H new ATOM 246 N TYR A 223 -4.715 -4.831 5.715 1.00 0.12 N ATOM 247 CA TYR A 223 -5.093 -3.432 5.804 1.00 0.11 C ATOM 248 C TYR A 223 -6.616 -3.338 5.789 1.00 0.13 C ATOM 249 O TYR A 223 -7.267 -3.993 4.975 1.00 0.17 O ATOM 250 CB TYR A 223 -4.517 -2.626 4.625 1.00 0.12 C ATOM 251 CG TYR A 223 -3.006 -2.429 4.611 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.150 -3.253 5.326 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.437 -1.410 3.851 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.779 -3.071 5.278 1.00 0.18 C ATOM 255 CE2 TYR A 223 -1.066 -1.229 3.799 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.246 -2.059 4.511 1.00 0.16 C ATOM 257 OH TYR A 223 1.118 -1.877 4.446 1.00 0.21 O ATOM 0 H TYR A 223 -4.399 -5.126 4.791 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.692 -3.014 6.727 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.805 -3.123 3.699 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.989 -1.644 4.620 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.560 -4.049 5.930 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -3.079 -0.747 3.290 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.127 -3.722 5.842 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.646 -0.436 3.199 1.00 0.20 H new ATOM 0 HH TYR A 223 1.331 -0.936 4.618 1.00 0.21 H new ATOM 267 N GLN A 224 -7.180 -2.562 6.699 1.00 0.15 N ATOM 268 CA GLN A 224 -8.626 -2.403 6.769 1.00 0.18 C ATOM 269 C GLN A 224 -9.028 -1.008 6.316 1.00 0.17 C ATOM 270 O GLN A 224 -8.848 -0.034 7.051 1.00 0.22 O ATOM 271 CB GLN A 224 -9.138 -2.659 8.186 1.00 0.26 C ATOM 272 CG GLN A 224 -8.933 -4.085 8.661 1.00 0.34 C ATOM 273 CD GLN A 224 -9.619 -4.362 9.983 1.00 0.61 C ATOM 274 OE1 GLN A 224 -10.845 -4.294 10.084 1.00 1.42 O ATOM 275 NE2 GLN A 224 -8.841 -4.670 11.006 1.00 0.99 N ATOM 0 H GLN A 224 -6.661 -2.032 7.399 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.077 -3.138 6.102 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.633 -1.980 8.873 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.201 -2.421 8.227 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.314 -4.774 7.907 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.865 -4.281 8.762 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -7.830 -4.716 10.882 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -9.252 -4.862 11.920 1.00 0.99 H new ATOM 284 N VAL A 225 -9.545 -0.908 5.098 1.00 0.16 N ATOM 285 CA VAL A 225 -9.942 0.380 4.558 1.00 0.18 C ATOM 286 C VAL A 225 -11.251 0.844 5.156 1.00 0.24 C ATOM 287 O VAL A 225 -12.278 0.185 5.018 1.00 0.30 O ATOM 288 CB VAL A 225 -10.045 0.383 3.007 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.682 -0.883 2.481 1.00 0.77 C ATOM 290 CG2 VAL A 225 -10.808 1.614 2.513 1.00 0.77 C ATOM 0 H VAL A 225 -9.697 -1.699 4.472 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.150 1.076 4.835 1.00 0.18 H new ATOM 0 HB VAL A 225 -9.028 0.425 2.617 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -10.734 -0.839 1.393 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -10.084 -1.743 2.781 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -11.688 -0.981 2.889 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.867 1.593 1.425 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -11.815 1.610 2.931 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -10.287 2.517 2.831 1.00 0.77 H new ATOM 300 N SER A 226 -11.236 2.053 5.672 1.00 0.26 N ATOM 301 CA SER A 226 -12.455 2.695 6.090 1.00 0.33 C ATOM 302 C SER A 226 -13.188 3.136 4.828 1.00 0.32 C ATOM 303 O SER A 226 -12.655 3.936 4.058 1.00 0.32 O ATOM 304 CB SER A 226 -12.125 3.881 7.000 1.00 0.42 C ATOM 305 OG SER A 226 -13.284 4.414 7.614 1.00 1.20 O ATOM 0 H SER A 226 -10.392 2.608 5.811 1.00 0.26 H new ATOM 0 HA SER A 226 -13.091 2.019 6.662 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.420 3.564 7.769 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.632 4.659 6.417 1.00 0.42 H new ATOM 0 HG SER A 226 -13.861 4.815 6.931 1.00 1.20 H new ATOM 311 N LYS A 227 -14.211 2.366 4.464 1.00 0.34 N ATOM 312 CA LYS A 227 -14.816 2.466 3.134 1.00 0.37 C ATOM 313 C LYS A 227 -15.040 3.901 2.680 1.00 0.42 C ATOM 314 O LYS A 227 -15.710 4.697 3.343 1.00 0.48 O ATOM 315 CB LYS A 227 -16.125 1.659 3.049 1.00 0.44 C ATOM 316 CG LYS A 227 -17.294 2.383 2.374 1.00 0.95 C ATOM 317 CD LYS A 227 -18.283 2.951 3.379 1.00 0.93 C ATOM 318 CE LYS A 227 -19.293 1.904 3.821 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.177 2.408 4.901 1.00 1.54 N ATOM 0 H LYS A 227 -14.639 1.666 5.069 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.091 2.031 2.446 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.929 0.734 2.506 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.426 1.378 4.058 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -16.907 3.191 1.753 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.812 1.691 1.710 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -17.744 3.328 4.248 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.806 3.799 2.937 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -19.899 1.602 2.967 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.766 1.015 4.168 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.972 1.751 5.034 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -19.637 2.480 5.787 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.543 3.346 4.641 1.00 1.54 H new ATOM 333 N GLY A 228 -14.462 4.205 1.526 1.00 0.46 N ATOM 334 CA GLY A 228 -14.620 5.518 0.912 1.00 0.57 C ATOM 335 C GLY A 228 -13.967 6.637 1.701 1.00 0.57 C ATOM 336 O GLY A 228 -13.955 7.789 1.271 1.00 0.70 O ATOM 0 H GLY A 228 -13.878 3.559 0.995 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.194 5.495 -0.091 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.683 5.734 0.802 1.00 0.57 H new ATOM 340 N HIS A 229 -13.361 6.282 2.821 1.00 0.47 N ATOM 341 CA HIS A 229 -12.633 7.234 3.646 1.00 0.53 C ATOM 342 C HIS A 229 -11.176 7.243 3.223 1.00 0.54 C ATOM 343 O HIS A 229 -10.354 7.980 3.775 1.00 1.02 O ATOM 344 CB HIS A 229 -12.762 6.864 5.125 1.00 0.55 C ATOM 345 CG HIS A 229 -14.153 7.030 5.670 1.00 1.32 C ATOM 346 ND1 HIS A 229 -15.090 6.109 6.001 1.00 1.94 N flip ATOM 347 CD2 HIS A 229 -14.732 8.257 5.912 1.00 2.31 C flip ATOM 348 CE1 HIS A 229 -16.201 6.786 6.430 1.00 2.66 C flip ATOM 349 NE2 HIS A 229 -15.959 8.081 6.367 1.00 2.89 N flip ATOM 0 H HIS A 229 -13.359 5.329 3.184 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.054 8.230 3.511 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.450 5.829 5.260 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.077 7.482 5.706 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -14.256 9.214 5.754 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -17.123 6.334 6.765 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -16.610 8.822 6.626 1.00 2.89 H new ATOM 358 N LYS A 230 -10.895 6.424 2.207 1.00 0.30 N ATOM 359 CA LYS A 230 -9.565 6.282 1.621 1.00 0.28 C ATOM 360 C LYS A 230 -8.632 5.536 2.563 1.00 0.24 C ATOM 361 O LYS A 230 -8.207 6.081 3.583 1.00 0.28 O ATOM 362 CB LYS A 230 -8.957 7.648 1.283 1.00 0.36 C ATOM 363 CG LYS A 230 -9.835 8.522 0.401 1.00 1.00 C ATOM 364 CD LYS A 230 -9.309 9.951 0.321 1.00 1.23 C ATOM 365 CE LYS A 230 -9.596 10.746 1.590 1.00 1.65 C ATOM 366 NZ LYS A 230 -8.774 10.298 2.749 1.00 2.24 N ATOM 0 H LYS A 230 -11.598 5.833 1.763 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.679 5.709 0.701 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.750 8.180 2.211 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.000 7.494 0.784 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.883 8.095 -0.601 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.852 8.530 0.794 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -8.234 9.930 0.143 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.763 10.456 -0.532 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -9.406 11.803 1.402 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -10.652 10.652 1.841 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -8.575 11.110 3.368 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.294 9.574 3.284 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -7.878 9.897 2.405 1.00 2.24 H new ATOM 380 N ILE A 231 -8.265 4.310 2.209 1.00 0.20 N ATOM 381 CA ILE A 231 -7.305 3.585 3.039 1.00 0.17 C ATOM 382 C ILE A 231 -5.884 3.887 2.598 1.00 0.16 C ATOM 383 O ILE A 231 -5.587 3.935 1.414 1.00 0.17 O ATOM 384 CB ILE A 231 -7.515 2.057 3.049 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.552 1.424 4.061 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.291 1.461 1.667 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.606 -0.081 4.121 1.00 0.19 C ATOM 0 H ILE A 231 -8.601 3.810 1.386 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.476 3.938 4.056 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.545 1.846 3.337 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.535 1.729 3.815 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.773 1.822 5.051 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.446 0.383 1.706 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -7.994 1.903 0.962 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.272 1.669 1.342 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.893 -0.441 4.862 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.611 -0.398 4.400 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.354 -0.493 3.144 1.00 0.19 H new ATOM 399 N ARG A 232 -5.021 4.136 3.555 1.00 0.17 N ATOM 400 CA ARG A 232 -3.644 4.468 3.266 1.00 0.17 C ATOM 401 C ARG A 232 -2.749 3.263 3.537 1.00 0.15 C ATOM 402 O ARG A 232 -2.939 2.563 4.534 1.00 0.19 O ATOM 403 CB ARG A 232 -3.222 5.650 4.124 1.00 0.22 C ATOM 404 CG ARG A 232 -4.193 6.814 4.080 1.00 0.34 C ATOM 405 CD ARG A 232 -3.632 8.024 4.798 1.00 0.77 C ATOM 406 NE ARG A 232 -4.673 8.996 5.112 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.442 10.182 5.665 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.198 10.633 5.773 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.461 10.936 6.057 1.00 3.14 N ATOM 0 H ARG A 232 -5.250 4.115 4.549 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.546 4.738 2.215 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.114 5.318 5.156 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.241 5.994 3.795 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.409 7.071 3.043 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.137 6.521 4.539 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.142 7.706 5.718 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -2.870 8.495 4.177 1.00 0.77 H new ATOM 0 HE ARG A 232 -5.639 8.750 4.894 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -2.420 10.069 5.431 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -3.021 11.543 6.197 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -6.418 10.605 5.933 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -5.288 11.847 6.482 1.00 3.14 H new ATOM 423 N LEU A 233 -1.786 2.994 2.657 1.00 0.13 N ATOM 424 CA LEU A 233 -0.924 1.857 2.849 1.00 0.14 C ATOM 425 C LEU A 233 0.334 2.310 3.548 1.00 0.13 C ATOM 426 O LEU A 233 1.235 2.859 2.920 1.00 0.13 O ATOM 427 CB LEU A 233 -0.612 1.189 1.504 1.00 0.15 C ATOM 428 CG LEU A 233 -1.698 0.236 0.966 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.017 0.959 0.729 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.239 -0.430 -0.318 1.00 0.23 C ATOM 0 H LEU A 233 -1.594 3.545 1.821 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.422 1.113 3.471 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.439 1.969 0.763 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.319 0.631 1.603 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.862 -0.527 1.727 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.756 0.253 0.350 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.371 1.387 1.667 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.869 1.756 -0.000 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.020 -1.098 -0.681 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.035 0.332 -1.070 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.332 -1.003 -0.127 1.00 0.23 H new ATOM 442 N THR A 234 0.309 2.221 4.867 1.00 0.14 N ATOM 443 CA THR A 234 1.382 2.744 5.687 1.00 0.16 C ATOM 444 C THR A 234 2.481 1.709 5.862 1.00 0.16 C ATOM 445 O THR A 234 2.204 0.519 6.021 1.00 0.22 O ATOM 446 CB THR A 234 0.858 3.171 7.067 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.436 3.779 6.926 1.00 0.33 O ATOM 448 CG2 THR A 234 1.821 4.149 7.723 1.00 0.24 C ATOM 0 H THR A 234 -0.450 1.788 5.393 1.00 0.14 H new ATOM 0 HA THR A 234 1.791 3.616 5.177 1.00 0.16 H new ATOM 0 HB THR A 234 0.776 2.288 7.700 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.769 4.049 7.808 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.434 4.441 8.699 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.794 3.674 7.845 1.00 0.24 H new ATOM 0 HG23 THR A 234 1.925 5.034 7.095 1.00 0.24 H new ATOM 456 N VAL A 235 3.718 2.160 5.744 1.00 0.14 N ATOM 457 CA VAL A 235 4.882 1.290 5.837 1.00 0.14 C ATOM 458 C VAL A 235 6.066 2.078 6.369 1.00 0.14 C ATOM 459 O VAL A 235 6.208 3.258 6.068 1.00 0.16 O ATOM 460 CB VAL A 235 5.272 0.712 4.458 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.185 -0.187 3.912 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.531 1.843 3.491 1.00 0.14 C ATOM 0 H VAL A 235 3.946 3.141 5.581 1.00 0.14 H new ATOM 0 HA VAL A 235 4.625 0.469 6.507 1.00 0.14 H new ATOM 0 HB VAL A 235 6.176 0.115 4.581 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.490 -0.578 2.941 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.018 -1.015 4.600 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.263 0.383 3.800 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.806 1.435 2.519 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.630 2.448 3.389 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.344 2.464 3.867 1.00 0.14 H new ATOM 472 N GLU A 236 6.991 1.406 7.009 1.00 0.13 N ATOM 473 CA GLU A 236 8.241 2.037 7.344 1.00 0.13 C ATOM 474 C GLU A 236 9.218 1.719 6.236 1.00 0.13 C ATOM 475 O GLU A 236 9.504 0.558 5.994 1.00 0.17 O ATOM 476 CB GLU A 236 8.770 1.524 8.684 1.00 0.18 C ATOM 477 CG GLU A 236 9.850 2.409 9.280 1.00 0.29 C ATOM 478 CD GLU A 236 10.208 2.019 10.694 1.00 0.54 C ATOM 479 OE1 GLU A 236 10.742 0.911 10.898 1.00 1.18 O ATOM 480 OE2 GLU A 236 9.939 2.817 11.616 1.00 1.05 O ATOM 0 H GLU A 236 6.903 0.434 7.305 1.00 0.13 H new ATOM 0 HA GLU A 236 8.105 3.114 7.442 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.942 1.448 9.389 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.167 0.518 8.549 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.742 2.357 8.656 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.513 3.445 9.268 1.00 0.29 H new ATOM 487 N LEU A 237 9.587 2.715 5.458 1.00 0.13 N ATOM 488 CA LEU A 237 10.439 2.475 4.306 1.00 0.15 C ATOM 489 C LEU A 237 11.871 2.226 4.728 1.00 0.17 C ATOM 490 O LEU A 237 12.360 2.825 5.678 1.00 0.19 O ATOM 491 CB LEU A 237 10.403 3.645 3.327 1.00 0.17 C ATOM 492 CG LEU A 237 9.468 3.478 2.136 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.572 4.680 1.217 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.792 2.209 1.369 1.00 0.55 C ATOM 0 H LEU A 237 9.316 3.688 5.597 1.00 0.13 H new ATOM 0 HA LEU A 237 10.050 1.587 3.808 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.111 4.543 3.872 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.413 3.813 2.953 1.00 0.17 H new ATOM 0 HG LEU A 237 8.447 3.403 2.511 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.899 4.549 0.369 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.296 5.581 1.764 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.596 4.775 0.856 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.111 2.111 0.523 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.818 2.256 1.005 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.679 1.347 2.027 1.00 0.55 H new ATOM 506 N ALA A 238 12.553 1.420 3.942 1.00 0.19 N ATOM 507 CA ALA A 238 13.980 1.222 4.088 1.00 0.21 C ATOM 508 C ALA A 238 14.696 2.287 3.272 1.00 0.23 C ATOM 509 O ALA A 238 15.730 2.815 3.673 1.00 0.28 O ATOM 510 CB ALA A 238 14.364 -0.170 3.620 1.00 0.25 C ATOM 0 H ALA A 238 12.133 0.883 3.183 1.00 0.19 H new ATOM 0 HA ALA A 238 14.270 1.311 5.135 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.439 -0.309 3.734 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.837 -0.913 4.218 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.092 -0.289 2.571 1.00 0.25 H new ATOM 516 N ASP A 239 14.068 2.646 2.157 1.00 0.22 N ATOM 517 CA ASP A 239 14.562 3.710 1.280 1.00 0.25 C ATOM 518 C ASP A 239 14.350 5.074 1.901 1.00 0.25 C ATOM 519 O ASP A 239 15.159 5.980 1.719 1.00 0.34 O ATOM 520 CB ASP A 239 13.862 3.666 -0.072 1.00 0.31 C ATOM 521 CG ASP A 239 14.606 2.794 -1.065 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.819 1.598 -0.773 1.00 1.19 O ATOM 523 OD2 ASP A 239 14.959 3.286 -2.153 1.00 1.28 O ATOM 0 H ASP A 239 13.204 2.211 1.834 1.00 0.22 H new ATOM 0 HA ASP A 239 15.630 3.544 1.142 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.848 3.287 0.056 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.776 4.677 -0.470 1.00 0.31 H new ATOM 528 N HIS A 240 13.223 5.214 2.599 1.00 0.27 N ATOM 529 CA HIS A 240 12.848 6.455 3.289 1.00 0.39 C ATOM 530 C HIS A 240 12.318 7.510 2.318 1.00 0.47 C ATOM 531 O HIS A 240 11.268 8.102 2.558 1.00 0.70 O ATOM 532 CB HIS A 240 14.020 7.042 4.095 1.00 0.46 C ATOM 533 CG HIS A 240 14.600 6.116 5.123 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.334 4.818 5.411 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.601 6.495 5.985 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.174 4.444 6.430 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.927 5.478 6.756 1.00 0.48 N flip ATOM 0 H HIS A 240 12.538 4.466 2.704 1.00 0.27 H new ATOM 0 HA HIS A 240 12.050 6.185 3.981 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.809 7.334 3.402 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.681 7.950 4.594 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.638 4.228 4.955 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.051 7.476 6.024 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.212 3.467 6.889 1.00 0.57 H new ATOM 546 N ASP A 241 13.031 7.743 1.223 1.00 0.41 N ATOM 547 CA ASP A 241 12.629 8.761 0.256 1.00 0.51 C ATOM 548 C ASP A 241 12.764 8.246 -1.170 1.00 0.44 C ATOM 549 O ASP A 241 13.544 8.752 -1.978 1.00 0.78 O ATOM 550 CB ASP A 241 13.439 10.049 0.444 1.00 0.80 C ATOM 551 CG ASP A 241 12.955 11.177 -0.450 1.00 1.53 C ATOM 552 OD1 ASP A 241 11.748 11.486 -0.426 1.00 2.22 O ATOM 553 OD2 ASP A 241 13.779 11.752 -1.197 1.00 2.08 O ATOM 0 H ASP A 241 13.887 7.244 0.982 1.00 0.41 H new ATOM 0 HA ASP A 241 11.579 8.991 0.435 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.378 10.364 1.486 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.489 9.848 0.233 1.00 0.80 H new ATOM 558 N ALA A 242 11.981 7.231 -1.467 1.00 0.33 N ATOM 559 CA ALA A 242 11.932 6.655 -2.798 1.00 0.30 C ATOM 560 C ALA A 242 10.487 6.504 -3.228 1.00 0.24 C ATOM 561 O ALA A 242 9.605 6.341 -2.380 1.00 0.28 O ATOM 562 CB ALA A 242 12.628 5.307 -2.824 1.00 0.38 C ATOM 0 H ALA A 242 11.360 6.781 -0.795 1.00 0.33 H new ATOM 0 HA ALA A 242 12.450 7.319 -3.490 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.580 4.892 -3.831 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.671 5.430 -2.532 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.134 4.629 -2.128 1.00 0.38 H new ATOM 568 N GLU A 243 10.237 6.546 -4.531 1.00 0.26 N ATOM 569 CA GLU A 243 8.884 6.377 -5.030 1.00 0.30 C ATOM 570 C GLU A 243 8.447 4.949 -4.790 1.00 0.25 C ATOM 571 O GLU A 243 9.053 4.005 -5.304 1.00 0.25 O ATOM 572 CB GLU A 243 8.792 6.679 -6.528 1.00 0.39 C ATOM 573 CG GLU A 243 9.332 8.044 -6.924 1.00 0.67 C ATOM 574 CD GLU A 243 9.259 8.284 -8.419 1.00 1.10 C ATOM 575 OE1 GLU A 243 9.892 7.522 -9.181 1.00 1.64 O ATOM 576 OE2 GLU A 243 8.569 9.240 -8.839 1.00 1.56 O ATOM 0 H GLU A 243 10.945 6.694 -5.250 1.00 0.26 H new ATOM 0 HA GLU A 243 8.237 7.077 -4.501 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.339 5.912 -7.076 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.749 6.610 -6.838 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.767 8.819 -6.407 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.368 8.131 -6.595 1.00 0.67 H new ATOM 583 N VAL A 244 7.398 4.788 -4.011 1.00 0.24 N ATOM 584 CA VAL A 244 6.890 3.470 -3.727 1.00 0.21 C ATOM 585 C VAL A 244 5.778 3.118 -4.688 1.00 0.20 C ATOM 586 O VAL A 244 4.787 3.841 -4.817 1.00 0.23 O ATOM 587 CB VAL A 244 6.400 3.322 -2.269 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.579 3.413 -1.312 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.328 4.363 -1.926 1.00 0.27 C ATOM 0 H VAL A 244 6.886 5.550 -3.567 1.00 0.24 H new ATOM 0 HA VAL A 244 7.720 2.776 -3.858 1.00 0.21 H new ATOM 0 HB VAL A 244 5.938 2.341 -2.162 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.224 3.308 -0.287 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.290 2.617 -1.534 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.069 4.380 -1.429 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.007 4.228 -0.893 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.740 5.364 -2.050 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.473 4.238 -2.591 1.00 0.27 H new ATOM 599 N LYS A 245 5.925 1.977 -5.314 1.00 0.18 N ATOM 600 CA LYS A 245 4.890 1.449 -6.159 1.00 0.19 C ATOM 601 C LYS A 245 4.238 0.309 -5.408 1.00 0.15 C ATOM 602 O LYS A 245 4.803 -0.203 -4.445 1.00 0.16 O ATOM 603 CB LYS A 245 5.470 0.989 -7.496 1.00 0.30 C ATOM 604 CG LYS A 245 6.149 2.103 -8.274 1.00 0.89 C ATOM 605 CD LYS A 245 6.754 1.592 -9.569 1.00 1.51 C ATOM 606 CE LYS A 245 7.548 2.675 -10.282 1.00 2.00 C ATOM 607 NZ LYS A 245 6.703 3.848 -10.627 1.00 2.79 N ATOM 0 H LYS A 245 6.760 1.394 -5.252 1.00 0.18 H new ATOM 0 HA LYS A 245 4.147 2.212 -6.392 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.190 0.191 -7.316 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.670 0.566 -8.104 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.425 2.887 -8.495 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.929 2.553 -7.660 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.404 0.743 -9.357 1.00 1.51 H new ATOM 0 HD3 LYS A 245 5.961 1.231 -10.224 1.00 1.51 H new ATOM 0 HE2 LYS A 245 8.374 2.997 -9.647 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.987 2.264 -11.191 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.245 4.501 -11.228 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 5.857 3.527 -11.139 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 6.415 4.337 -9.755 1.00 2.79 H new ATOM 621 N TRP A 246 2.991 0.051 -5.653 1.00 0.14 N ATOM 622 CA TRP A 246 2.315 -0.934 -4.844 1.00 0.13 C ATOM 623 C TRP A 246 1.640 -1.932 -5.748 1.00 0.14 C ATOM 624 O TRP A 246 1.762 -1.839 -6.959 1.00 0.14 O ATOM 625 CB TRP A 246 1.354 -0.286 -3.828 1.00 0.14 C ATOM 626 CG TRP A 246 2.046 0.690 -2.898 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.607 1.888 -3.246 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.280 0.553 -1.479 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.153 2.494 -2.148 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.969 1.709 -1.062 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.975 -0.410 -0.515 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.358 1.924 0.250 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.371 -0.185 0.797 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.051 0.978 1.159 1.00 0.15 C ATOM 0 H TRP A 246 2.428 0.489 -6.382 1.00 0.14 H new ATOM 0 HA TRP A 246 3.046 -1.468 -4.236 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.561 0.233 -4.366 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.878 -1.068 -3.236 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.617 2.297 -4.245 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.626 3.398 -2.148 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.443 -1.310 -0.784 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.890 2.820 0.535 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.148 -0.925 1.552 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.338 1.123 2.190 1.00 0.15 H new ATOM 645 N LEU A 247 1.197 -3.020 -5.196 1.00 0.15 N ATOM 646 CA LEU A 247 0.679 -4.101 -6.002 1.00 0.14 C ATOM 647 C LEU A 247 -0.717 -4.455 -5.508 1.00 0.15 C ATOM 648 O LEU A 247 -0.930 -4.564 -4.321 1.00 0.16 O ATOM 649 CB LEU A 247 1.622 -5.310 -5.881 1.00 0.15 C ATOM 650 CG LEU A 247 2.506 -5.678 -7.085 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.944 -6.887 -7.818 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.676 -4.510 -8.037 1.00 0.17 C ATOM 0 H LEU A 247 1.181 -3.190 -4.190 1.00 0.15 H new ATOM 0 HA LEU A 247 0.619 -3.806 -7.050 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.279 -5.133 -5.030 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.014 -6.181 -5.638 1.00 0.15 H new ATOM 0 HG LEU A 247 3.492 -5.933 -6.697 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.585 -7.129 -8.666 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.904 -7.738 -7.138 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.940 -6.661 -8.176 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.307 -4.811 -8.873 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.700 -4.201 -8.411 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.144 -3.677 -7.511 1.00 0.17 H new ATOM 664 N LYS A 248 -1.625 -4.765 -6.400 1.00 0.19 N ATOM 665 CA LYS A 248 -2.891 -5.355 -5.984 1.00 0.25 C ATOM 666 C LYS A 248 -2.740 -6.850 -6.206 1.00 0.25 C ATOM 667 O LYS A 248 -1.851 -7.223 -6.952 1.00 0.21 O ATOM 668 CB LYS A 248 -4.073 -4.806 -6.799 1.00 0.34 C ATOM 669 CG LYS A 248 -5.418 -5.398 -6.398 1.00 0.77 C ATOM 670 CD LYS A 248 -6.567 -4.847 -7.235 1.00 0.95 C ATOM 671 CE LYS A 248 -6.800 -3.368 -6.974 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.054 -2.881 -7.609 1.00 2.06 N ATOM 0 H LYS A 248 -1.523 -4.625 -7.405 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.107 -5.114 -4.943 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.113 -3.723 -6.681 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.898 -5.006 -7.856 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.381 -6.482 -6.505 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.605 -5.188 -5.345 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.351 -4.999 -8.293 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -7.478 -5.403 -7.012 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -6.846 -3.192 -5.899 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -5.955 -2.795 -7.355 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.570 -2.275 -6.939 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.821 -2.334 -8.463 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -8.649 -3.693 -7.870 1.00 2.06 H new ATOM 686 N ASN A 249 -3.387 -7.696 -5.408 1.00 0.34 N ATOM 687 CA ASN A 249 -3.092 -9.132 -5.472 1.00 0.40 C ATOM 688 C ASN A 249 -2.952 -9.607 -6.921 1.00 0.35 C ATOM 689 O ASN A 249 -3.880 -9.508 -7.723 1.00 0.35 O ATOM 690 CB ASN A 249 -4.119 -9.994 -4.705 1.00 0.61 C ATOM 691 CG ASN A 249 -5.579 -9.776 -5.087 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.441 -9.724 -4.087 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.939 -9.707 -6.257 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.098 -7.428 -4.728 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.134 -9.268 -4.970 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.874 -11.044 -4.862 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.008 -9.797 -3.639 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.248 -9.750 -7.006 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.929 -9.606 -6.481 1.00 1.19 H new ATOM 700 N GLY A 250 -1.717 -9.933 -7.287 1.00 0.35 N ATOM 701 CA GLY A 250 -1.398 -10.286 -8.656 1.00 0.35 C ATOM 702 C GLY A 250 -1.134 -9.093 -9.570 1.00 0.33 C ATOM 703 O GLY A 250 -0.221 -9.145 -10.396 1.00 0.39 O ATOM 0 H GLY A 250 -0.922 -9.959 -6.649 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.519 -10.930 -8.657 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.221 -10.869 -9.069 1.00 0.35 H new ATOM 707 N GLN A 251 -1.960 -8.052 -9.498 1.00 0.30 N ATOM 708 CA GLN A 251 -1.813 -6.919 -10.414 1.00 0.36 C ATOM 709 C GLN A 251 -0.960 -5.805 -9.838 1.00 0.25 C ATOM 710 O GLN A 251 -0.723 -5.723 -8.645 1.00 0.28 O ATOM 711 CB GLN A 251 -3.148 -6.332 -10.822 1.00 0.52 C ATOM 712 CG GLN A 251 -4.049 -7.304 -11.569 1.00 1.28 C ATOM 713 CD GLN A 251 -3.471 -7.726 -12.905 1.00 2.00 C ATOM 714 OE1 GLN A 251 -3.202 -6.888 -13.768 1.00 2.77 O ATOM 715 NE2 GLN A 251 -3.268 -9.020 -13.087 1.00 2.59 N ATOM 0 H GLN A 251 -2.725 -7.967 -8.829 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.314 -7.334 -11.290 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.668 -5.983 -9.930 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -2.973 -5.459 -11.450 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.213 -8.188 -10.953 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -5.023 -6.841 -11.729 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -3.504 -9.682 -12.348 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -2.875 -9.356 -13.966 1.00 2.59 H new ATOM 724 N GLU A 252 -0.452 -4.971 -10.712 1.00 0.26 N ATOM 725 CA GLU A 252 0.460 -3.929 -10.304 1.00 0.25 C ATOM 726 C GLU A 252 -0.238 -2.602 -10.069 1.00 0.27 C ATOM 727 O GLU A 252 -1.150 -2.218 -10.804 1.00 0.32 O ATOM 728 CB GLU A 252 1.562 -3.819 -11.327 1.00 0.32 C ATOM 729 CG GLU A 252 2.175 -5.175 -11.589 1.00 0.60 C ATOM 730 CD GLU A 252 1.692 -5.788 -12.883 1.00 1.05 C ATOM 731 OE1 GLU A 252 1.987 -5.223 -13.955 1.00 1.49 O ATOM 732 OE2 GLU A 252 1.011 -6.828 -12.842 1.00 1.60 O ATOM 0 H GLU A 252 -0.654 -4.993 -11.711 1.00 0.26 H new ATOM 0 HA GLU A 252 0.891 -4.199 -9.340 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.166 -3.407 -12.255 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.328 -3.129 -10.973 1.00 0.32 H new ATOM 0 HG2 GLU A 252 3.260 -5.080 -11.619 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.936 -5.844 -10.762 1.00 0.60 H new ATOM 739 N ILE A 253 0.144 -1.963 -8.980 1.00 0.23 N ATOM 740 CA ILE A 253 -0.477 -0.736 -8.531 1.00 0.27 C ATOM 741 C ILE A 253 0.496 0.446 -8.643 1.00 0.28 C ATOM 742 O ILE A 253 1.561 0.484 -8.003 1.00 0.28 O ATOM 743 CB ILE A 253 -0.994 -0.937 -7.087 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.407 -1.513 -7.108 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.932 0.326 -6.253 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.978 -1.740 -5.731 1.00 0.33 C ATOM 0 H ILE A 253 0.901 -2.286 -8.378 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.325 -0.494 -9.171 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.325 -1.649 -6.605 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -3.060 -0.835 -7.658 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.399 -2.458 -7.651 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.308 0.119 -5.251 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.100 0.670 -6.189 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.544 1.099 -6.718 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.984 -2.150 -5.817 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.346 -2.441 -5.186 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.017 -0.793 -5.193 1.00 0.33 H new ATOM 758 N GLN A 254 0.172 1.339 -9.563 1.00 0.36 N ATOM 759 CA GLN A 254 1.033 2.462 -9.894 1.00 0.43 C ATOM 760 C GLN A 254 0.871 3.607 -8.890 1.00 0.61 C ATOM 761 O GLN A 254 0.956 3.404 -7.681 1.00 1.42 O ATOM 762 CB GLN A 254 0.712 2.944 -11.309 1.00 0.70 C ATOM 763 CG GLN A 254 0.924 1.883 -12.375 1.00 1.00 C ATOM 764 CD GLN A 254 0.357 2.290 -13.718 1.00 1.75 C ATOM 765 OE1 GLN A 254 0.638 3.378 -14.220 1.00 2.63 O ATOM 766 NE2 GLN A 254 -0.439 1.418 -14.310 1.00 2.21 N ATOM 0 H GLN A 254 -0.694 1.306 -10.101 1.00 0.36 H new ATOM 0 HA GLN A 254 2.070 2.131 -9.846 1.00 0.43 H new ATOM 0 HB2 GLN A 254 -0.324 3.280 -11.343 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.335 3.808 -11.540 1.00 0.70 H new ATOM 0 HG2 GLN A 254 1.991 1.685 -12.479 1.00 1.00 H new ATOM 0 HG3 GLN A 254 0.457 0.952 -12.054 1.00 1.00 H new ATOM 0 HE21 GLN A 254 -0.646 0.527 -13.858 1.00 2.21 H new ATOM 0 HE22 GLN A 254 -0.847 1.635 -15.219 1.00 2.21 H new ATOM 775 N MET A 255 0.612 4.799 -9.410 1.00 0.59 N ATOM 776 CA MET A 255 0.419 5.983 -8.590 1.00 0.61 C ATOM 777 C MET A 255 -0.494 6.957 -9.321 1.00 0.65 C ATOM 778 O MET A 255 -0.401 7.103 -10.543 1.00 0.95 O ATOM 779 CB MET A 255 1.762 6.650 -8.270 1.00 0.95 C ATOM 780 CG MET A 255 2.601 6.948 -9.501 1.00 1.58 C ATOM 781 SD MET A 255 4.200 7.677 -9.100 1.00 2.30 S ATOM 782 CE MET A 255 4.966 7.703 -10.719 1.00 2.61 C ATOM 0 H MET A 255 0.530 4.970 -10.412 1.00 0.59 H new ATOM 0 HA MET A 255 -0.042 5.690 -7.647 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.577 7.580 -7.732 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.330 6.003 -7.602 1.00 0.95 H new ATOM 0 HG2 MET A 255 2.758 6.025 -10.060 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.051 7.626 -10.154 1.00 1.58 H new ATOM 0 HE1 MET A 255 5.967 8.128 -10.641 1.00 2.61 H new ATOM 0 HE2 MET A 255 5.033 6.686 -11.106 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.365 8.310 -11.396 1.00 2.61 H new ATOM 792 N SER A 256 -1.461 7.500 -8.603 1.00 0.57 N ATOM 793 CA SER A 256 -2.487 8.329 -9.211 1.00 0.69 C ATOM 794 C SER A 256 -3.188 9.167 -8.147 1.00 1.00 C ATOM 795 O SER A 256 -3.015 8.935 -6.950 1.00 1.47 O ATOM 796 CB SER A 256 -3.510 7.438 -9.925 1.00 0.76 C ATOM 797 OG SER A 256 -4.344 8.191 -10.789 1.00 1.64 O ATOM 0 H SER A 256 -1.557 7.381 -7.595 1.00 0.57 H new ATOM 0 HA SER A 256 -2.020 8.998 -9.934 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.989 6.672 -10.498 1.00 0.76 H new ATOM 0 HB3 SER A 256 -4.122 6.922 -9.186 1.00 0.76 H new ATOM 0 HG SER A 256 -4.983 7.593 -11.230 1.00 1.64 H new ATOM 803 N GLY A 257 -3.988 10.125 -8.589 1.00 1.01 N ATOM 804 CA GLY A 257 -4.757 10.937 -7.671 1.00 1.41 C ATOM 805 C GLY A 257 -6.065 10.268 -7.299 1.00 1.28 C ATOM 806 O GLY A 257 -6.586 10.458 -6.203 1.00 1.69 O ATOM 0 H GLY A 257 -4.119 10.355 -9.574 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -4.172 11.122 -6.770 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.960 11.907 -8.124 1.00 1.41 H new ATOM 810 N SER A 258 -6.617 9.517 -8.242 1.00 1.07 N ATOM 811 CA SER A 258 -7.883 8.828 -8.036 1.00 0.96 C ATOM 812 C SER A 258 -7.695 7.603 -7.140 1.00 0.74 C ATOM 813 O SER A 258 -8.557 7.270 -6.329 1.00 1.14 O ATOM 814 CB SER A 258 -8.466 8.418 -9.386 1.00 1.08 C ATOM 815 OG SER A 258 -8.496 9.522 -10.278 1.00 1.77 O ATOM 0 H SER A 258 -6.204 9.369 -9.163 1.00 1.07 H new ATOM 0 HA SER A 258 -8.576 9.505 -7.537 1.00 0.96 H new ATOM 0 HB2 SER A 258 -7.869 7.613 -9.816 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.475 8.028 -9.248 1.00 1.08 H new ATOM 0 HG SER A 258 -8.871 9.238 -11.138 1.00 1.77 H new ATOM 821 N LYS A 259 -6.547 6.960 -7.285 1.00 0.51 N ATOM 822 CA LYS A 259 -6.183 5.804 -6.481 1.00 0.37 C ATOM 823 C LYS A 259 -4.677 5.673 -6.475 1.00 0.33 C ATOM 824 O LYS A 259 -4.024 6.183 -7.374 1.00 0.45 O ATOM 825 CB LYS A 259 -6.801 4.494 -7.007 1.00 0.48 C ATOM 826 CG LYS A 259 -6.622 4.233 -8.501 1.00 1.11 C ATOM 827 CD LYS A 259 -7.673 4.937 -9.343 1.00 1.59 C ATOM 828 CE LYS A 259 -7.796 4.308 -10.720 1.00 2.02 C ATOM 829 NZ LYS A 259 -8.325 2.918 -10.646 1.00 2.41 N ATOM 0 H LYS A 259 -5.838 7.227 -7.968 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.573 5.964 -5.476 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.365 3.661 -6.456 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -7.868 4.501 -6.783 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -5.631 4.566 -8.809 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -6.670 3.160 -8.688 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.636 4.894 -8.835 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -7.413 5.991 -9.445 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -8.455 4.916 -11.340 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -6.820 4.300 -11.205 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -8.757 2.662 -11.557 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -7.547 2.261 -10.435 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.042 2.859 -9.895 1.00 2.41 H new ATOM 843 N TYR A 260 -4.128 4.977 -5.483 1.00 0.24 N ATOM 844 CA TYR A 260 -2.680 4.768 -5.408 1.00 0.27 C ATOM 845 C TYR A 260 -1.970 6.110 -5.235 1.00 0.27 C ATOM 846 O TYR A 260 -1.064 6.460 -5.993 1.00 0.29 O ATOM 847 CB TYR A 260 -2.155 4.048 -6.664 1.00 0.33 C ATOM 848 CG TYR A 260 -3.056 2.938 -7.170 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.738 2.106 -6.292 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.235 2.737 -8.532 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.570 1.108 -6.754 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.067 1.740 -9.003 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.733 0.928 -8.108 1.00 0.95 C ATOM 854 OH TYR A 260 -5.563 -0.070 -8.566 1.00 1.24 O ATOM 0 H TYR A 260 -4.658 4.550 -4.723 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.471 4.135 -4.546 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.020 4.781 -7.459 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.172 3.631 -6.445 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.615 2.243 -5.228 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.715 3.371 -9.235 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.092 0.470 -6.056 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.195 1.597 -10.066 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.571 -0.065 -9.546 1.00 1.24 H new ATOM 864 N ILE A 261 -2.427 6.873 -4.261 1.00 0.26 N ATOM 865 CA ILE A 261 -1.877 8.187 -3.982 1.00 0.27 C ATOM 866 C ILE A 261 -0.644 8.063 -3.097 1.00 0.28 C ATOM 867 O ILE A 261 -0.695 7.444 -2.044 1.00 0.35 O ATOM 868 CB ILE A 261 -2.920 9.061 -3.259 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.216 9.146 -4.066 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.365 10.445 -3.000 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.328 9.884 -3.348 1.00 0.39 C ATOM 0 H ILE A 261 -3.189 6.600 -3.641 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.605 8.651 -4.930 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.147 8.594 -2.301 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -4.013 9.645 -5.014 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.554 8.137 -4.303 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.115 11.048 -2.489 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.474 10.369 -2.376 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.105 10.916 -3.948 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.217 9.906 -3.979 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.559 9.373 -2.413 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -5.009 10.904 -3.135 1.00 0.39 H new ATOM 883 N PHE A 262 0.465 8.649 -3.506 1.00 0.30 N ATOM 884 CA PHE A 262 1.667 8.579 -2.691 1.00 0.32 C ATOM 885 C PHE A 262 1.604 9.567 -1.523 1.00 0.30 C ATOM 886 O PHE A 262 1.198 10.719 -1.688 1.00 0.37 O ATOM 887 CB PHE A 262 2.932 8.793 -3.540 1.00 0.46 C ATOM 888 CG PHE A 262 2.929 10.024 -4.412 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.039 11.294 -3.861 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.831 9.904 -5.788 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.047 12.416 -4.668 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.837 11.024 -6.598 1.00 1.09 C ATOM 893 CZ PHE A 262 2.945 12.280 -6.037 1.00 1.18 C ATOM 0 H PHE A 262 0.561 9.169 -4.378 1.00 0.30 H new ATOM 0 HA PHE A 262 1.722 7.575 -2.270 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.792 8.844 -2.872 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.074 7.919 -4.176 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.119 11.406 -2.790 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.749 8.924 -6.234 1.00 0.84 H new ATOM 0 HE1 PHE A 262 3.133 13.398 -4.227 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.757 10.916 -7.670 1.00 1.09 H new ATOM 0 HZ PHE A 262 2.950 13.156 -6.669 1.00 1.18 H new ATOM 903 N GLU A 263 1.972 9.100 -0.339 1.00 0.26 N ATOM 904 CA GLU A 263 1.996 9.947 0.845 1.00 0.30 C ATOM 905 C GLU A 263 3.188 9.570 1.715 1.00 0.28 C ATOM 906 O GLU A 263 3.445 8.389 1.952 1.00 0.33 O ATOM 907 CB GLU A 263 0.690 9.819 1.640 1.00 0.37 C ATOM 908 CG GLU A 263 0.578 10.821 2.781 1.00 0.56 C ATOM 909 CD GLU A 263 -0.737 10.738 3.532 1.00 1.07 C ATOM 910 OE1 GLU A 263 -0.949 9.735 4.252 1.00 1.79 O ATOM 911 OE2 GLU A 263 -1.564 11.665 3.409 1.00 1.73 O ATOM 0 H GLU A 263 2.259 8.136 -0.172 1.00 0.26 H new ATOM 0 HA GLU A 263 2.093 10.986 0.531 1.00 0.30 H new ATOM 0 HB2 GLU A 263 -0.154 9.954 0.963 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.616 8.809 2.044 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.398 10.656 3.480 1.00 0.56 H new ATOM 0 HG3 GLU A 263 0.697 11.828 2.382 1.00 0.56 H new ATOM 918 N SER A 264 3.999 10.554 2.051 1.00 0.34 N ATOM 919 CA SER A 264 5.239 10.301 2.757 1.00 0.36 C ATOM 920 C SER A 264 5.206 10.888 4.162 1.00 0.34 C ATOM 921 O SER A 264 4.860 12.056 4.347 1.00 0.39 O ATOM 922 CB SER A 264 6.402 10.902 1.971 1.00 0.46 C ATOM 923 OG SER A 264 6.371 10.479 0.618 1.00 1.41 O ATOM 0 H SER A 264 3.821 11.537 1.846 1.00 0.34 H new ATOM 0 HA SER A 264 5.370 9.223 2.847 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.354 11.990 2.017 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.346 10.605 2.427 1.00 0.46 H new ATOM 0 HG SER A 264 7.124 10.877 0.133 1.00 1.41 H new ATOM 929 N ILE A 265 5.633 10.100 5.138 1.00 0.31 N ATOM 930 CA ILE A 265 5.755 10.578 6.501 1.00 0.34 C ATOM 931 C ILE A 265 7.115 10.192 7.065 1.00 0.38 C ATOM 932 O ILE A 265 7.326 9.047 7.485 1.00 0.42 O ATOM 933 CB ILE A 265 4.632 10.037 7.399 1.00 0.42 C ATOM 934 CG1 ILE A 265 4.179 8.674 6.897 1.00 0.82 C ATOM 935 CG2 ILE A 265 3.469 11.016 7.433 1.00 0.73 C ATOM 936 CD1 ILE A 265 3.139 8.008 7.769 1.00 1.31 C ATOM 0 H ILE A 265 5.901 9.124 5.007 1.00 0.31 H new ATOM 0 HA ILE A 265 5.664 11.664 6.484 1.00 0.34 H new ATOM 0 HB ILE A 265 5.010 9.923 8.415 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.776 8.785 5.890 1.00 0.82 H new ATOM 0 HG13 ILE A 265 5.047 8.020 6.822 1.00 0.82 H new ATOM 0 HG21 ILE A 265 2.680 10.621 8.073 1.00 0.73 H new ATOM 0 HG22 ILE A 265 3.811 11.973 7.827 1.00 0.73 H new ATOM 0 HG23 ILE A 265 3.082 11.156 6.424 1.00 0.73 H new ATOM 0 HD11 ILE A 265 2.870 7.042 7.342 1.00 1.31 H new ATOM 0 HD12 ILE A 265 3.543 7.862 8.771 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.252 8.639 7.824 1.00 1.31 H new ATOM 948 N GLY A 266 8.070 11.105 6.936 1.00 0.48 N ATOM 949 CA GLY A 266 9.440 10.788 7.278 1.00 0.65 C ATOM 950 C GLY A 266 9.958 9.656 6.418 1.00 0.86 C ATOM 951 O GLY A 266 9.699 9.628 5.212 1.00 1.93 O ATOM 0 H GLY A 266 7.919 12.057 6.601 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.067 11.670 7.144 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.502 10.510 8.330 1.00 0.65 H new ATOM 955 N ALA A 267 10.517 8.637 7.053 1.00 0.48 N ATOM 956 CA ALA A 267 10.860 7.420 6.340 1.00 0.39 C ATOM 957 C ALA A 267 9.605 6.668 5.968 1.00 0.30 C ATOM 958 O ALA A 267 9.564 5.969 4.958 1.00 0.32 O ATOM 959 CB ALA A 267 11.729 6.506 7.173 1.00 0.44 C ATOM 0 H ALA A 267 10.740 8.629 8.048 1.00 0.48 H new ATOM 0 HA ALA A 267 11.412 7.716 5.448 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.963 5.607 6.603 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.654 7.021 7.434 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.198 6.230 8.084 1.00 0.44 H new ATOM 965 N LYS A 268 8.631 6.702 6.865 1.00 0.26 N ATOM 966 CA LYS A 268 7.438 5.914 6.687 1.00 0.25 C ATOM 967 C LYS A 268 6.681 6.370 5.456 1.00 0.29 C ATOM 968 O LYS A 268 6.506 7.567 5.198 1.00 0.47 O ATOM 969 CB LYS A 268 6.559 5.957 7.936 1.00 0.28 C ATOM 970 CG LYS A 268 7.121 5.133 9.089 1.00 0.30 C ATOM 971 CD LYS A 268 6.188 5.144 10.290 1.00 0.41 C ATOM 972 CE LYS A 268 6.672 4.208 11.387 1.00 1.20 C ATOM 973 NZ LYS A 268 7.997 4.612 11.931 1.00 2.00 N ATOM 0 H LYS A 268 8.650 7.265 7.715 1.00 0.26 H new ATOM 0 HA LYS A 268 7.731 4.875 6.534 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.445 6.992 8.258 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.564 5.590 7.686 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.280 4.106 8.760 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.094 5.529 9.380 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.113 6.158 10.683 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.187 4.849 9.976 1.00 0.41 H new ATOM 0 HE2 LYS A 268 5.940 4.190 12.195 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.737 3.194 10.993 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 8.003 4.481 12.963 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 8.741 4.025 11.503 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.174 5.612 11.708 1.00 2.00 H new ATOM 987 N ARG A 269 6.355 5.407 4.629 1.00 0.16 N ATOM 988 CA ARG A 269 5.714 5.678 3.375 1.00 0.16 C ATOM 989 C ARG A 269 4.282 5.179 3.397 1.00 0.18 C ATOM 990 O ARG A 269 3.935 4.287 4.169 1.00 0.17 O ATOM 991 CB ARG A 269 6.493 5.058 2.215 1.00 0.20 C ATOM 992 CG ARG A 269 5.937 5.450 0.871 1.00 0.53 C ATOM 993 CD ARG A 269 5.917 6.966 0.668 1.00 0.79 C ATOM 994 NE ARG A 269 7.213 7.523 0.257 1.00 0.69 N ATOM 995 CZ ARG A 269 8.200 7.886 1.084 1.00 0.97 C ATOM 996 NH1 ARG A 269 8.083 7.740 2.399 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.302 8.425 0.586 1.00 1.17 N ATOM 0 H ARG A 269 6.528 4.418 4.809 1.00 0.16 H new ATOM 0 HA ARG A 269 5.700 6.757 3.223 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.537 5.366 2.277 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.475 3.972 2.309 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.535 4.989 0.085 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.924 5.059 0.772 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.170 7.213 -0.086 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.604 7.444 1.596 1.00 0.79 H new ATOM 0 HE ARG A 269 7.374 7.643 -0.743 1.00 0.69 H new ATOM 0 HH11 ARG A 269 7.230 7.345 2.794 1.00 1.85 H new ATOM 0 HH12 ARG A 269 8.847 8.023 3.013 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.393 8.561 -0.421 1.00 1.17 H new ATOM 0 HH22 ARG A 269 10.060 8.705 1.209 1.00 1.17 H new ATOM 1011 N THR A 270 3.427 5.887 2.693 1.00 0.18 N ATOM 1012 CA THR A 270 2.021 5.588 2.694 1.00 0.18 C ATOM 1013 C THR A 270 1.450 5.633 1.281 1.00 0.19 C ATOM 1014 O THR A 270 1.671 6.595 0.538 1.00 0.22 O ATOM 1015 CB THR A 270 1.269 6.586 3.584 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.740 6.486 4.935 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.218 6.334 3.538 1.00 0.24 C ATOM 0 H THR A 270 3.689 6.681 2.108 1.00 0.18 H new ATOM 0 HA THR A 270 1.892 4.580 3.088 1.00 0.18 H new ATOM 0 HB THR A 270 1.458 7.592 3.208 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.257 7.127 5.498 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.729 7.054 4.177 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.574 6.441 2.513 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.427 5.324 3.891 1.00 0.24 H new ATOM 1025 N LEU A 271 0.664 4.625 0.943 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.048 4.621 -0.322 1.00 0.17 C ATOM 1027 C LEU A 271 -1.524 4.899 -0.062 1.00 0.16 C ATOM 1028 O LEU A 271 -2.256 4.013 0.358 1.00 0.17 O ATOM 1029 CB LEU A 271 0.129 3.267 -1.017 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.296 3.181 -2.491 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.798 2.981 -2.624 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.160 4.418 -3.252 1.00 0.49 C ATOM 0 H LEU A 271 0.504 3.802 1.524 1.00 0.17 H new ATOM 0 HA LEU A 271 0.354 5.396 -0.975 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.180 2.986 -0.950 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.436 2.522 -0.457 1.00 0.20 H new ATOM 0 HG LEU A 271 0.190 2.310 -2.931 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.065 2.924 -3.679 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.087 2.056 -2.126 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.319 3.820 -2.162 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.150 4.339 -4.294 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.289 5.306 -2.806 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.246 4.496 -3.202 1.00 0.49 H new ATOM 1044 N THR A 272 -1.957 6.121 -0.289 1.00 0.18 N ATOM 1045 CA THR A 272 -3.340 6.478 -0.053 1.00 0.21 C ATOM 1046 C THR A 272 -4.231 5.944 -1.171 1.00 0.22 C ATOM 1047 O THR A 272 -4.036 6.240 -2.346 1.00 0.29 O ATOM 1048 CB THR A 272 -3.515 8.004 0.076 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.489 8.543 0.922 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.877 8.337 0.663 1.00 0.30 C ATOM 0 H THR A 272 -1.373 6.882 -0.636 1.00 0.18 H new ATOM 0 HA THR A 272 -3.640 6.021 0.890 1.00 0.21 H new ATOM 0 HB THR A 272 -3.440 8.445 -0.918 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.604 9.513 0.999 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.983 9.419 0.747 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.659 7.945 0.013 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.967 7.886 1.651 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.172 5.112 -0.796 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.077 4.496 -1.740 1.00 0.26 C ATOM 1060 C ILE A 273 -7.476 5.076 -1.588 1.00 0.28 C ATOM 1061 O ILE A 273 -8.058 5.071 -0.492 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.076 2.949 -1.584 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.395 2.310 -2.789 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.479 2.377 -1.408 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.121 2.561 -4.089 1.00 0.86 C ATOM 0 H ILE A 273 -5.333 4.841 0.174 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.731 4.718 -2.749 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.521 2.714 -0.676 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.378 2.694 -2.869 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.318 1.235 -2.626 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.420 1.294 -1.304 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.936 2.803 -0.515 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.085 2.625 -2.279 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.583 2.079 -4.905 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.129 2.152 -4.027 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.175 3.634 -4.274 1.00 0.86 H new ATOM 1077 N SER A 274 -7.968 5.640 -2.681 1.00 0.33 N ATOM 1078 CA SER A 274 -9.264 6.282 -2.704 1.00 0.39 C ATOM 1079 C SER A 274 -10.236 5.476 -3.555 1.00 0.45 C ATOM 1080 O SER A 274 -9.835 4.879 -4.558 1.00 0.50 O ATOM 1081 CB SER A 274 -9.137 7.704 -3.250 1.00 0.52 C ATOM 1082 OG SER A 274 -8.180 8.447 -2.516 1.00 1.13 O ATOM 0 H SER A 274 -7.476 5.663 -3.574 1.00 0.33 H new ATOM 0 HA SER A 274 -9.649 6.330 -1.686 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.848 7.669 -4.300 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.105 8.203 -3.202 1.00 0.52 H new ATOM 0 HG SER A 274 -8.116 9.352 -2.885 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.504 5.460 -3.145 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.545 4.719 -3.848 1.00 0.62 C ATOM 1090 C GLN A 275 -12.152 3.253 -3.986 1.00 0.62 C ATOM 1091 O GLN A 275 -11.898 2.758 -5.087 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.833 5.339 -5.217 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.326 6.774 -5.139 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.729 7.337 -6.490 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -13.775 6.489 -7.509 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -14.014 8.528 -6.611 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.835 5.959 -2.319 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.461 4.776 -3.260 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.926 5.307 -5.820 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.579 4.734 -5.732 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.179 6.823 -4.462 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.542 7.399 -4.710 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -13.966 9.148 -5.803 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -14.298 8.895 -7.519 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.092 2.572 -2.851 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.714 1.169 -2.799 1.00 0.69 C ATOM 1107 C CYS A 276 -12.354 0.579 -1.574 1.00 0.75 C ATOM 1108 O CYS A 276 -11.691 0.104 -0.655 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.195 1.001 -2.754 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.347 1.529 -4.261 1.00 2.00 S ATOM 0 H CYS A 276 -12.304 2.978 -1.940 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.056 0.655 -3.698 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.802 1.570 -1.911 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.962 -0.047 -2.567 1.00 0.80 H new ATOM 0 HG CYS A 276 -10.187 2.147 -5.038 1.00 2.00 H new ATOM 1116 N SER A 277 -13.639 0.825 -1.499 1.00 0.54 N ATOM 1117 CA SER A 277 -14.416 0.507 -0.338 1.00 0.52 C ATOM 1118 C SER A 277 -14.910 -0.938 -0.407 1.00 0.48 C ATOM 1119 O SER A 277 -14.113 -1.859 -0.601 1.00 0.47 O ATOM 1120 CB SER A 277 -15.589 1.480 -0.244 1.00 0.56 C ATOM 1121 OG SER A 277 -16.370 1.466 -1.428 1.00 0.63 O ATOM 0 H SER A 277 -14.175 1.256 -2.252 1.00 0.54 H new ATOM 0 HA SER A 277 -13.798 0.604 0.555 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.214 1.217 0.609 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.214 2.488 -0.066 1.00 0.56 H new ATOM 0 HG SER A 277 -17.114 2.097 -1.337 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.231 -1.117 -0.320 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.865 -2.433 -0.409 1.00 0.54 C ATOM 1129 C LEU A 278 -16.787 -2.996 -1.835 1.00 0.58 C ATOM 1130 O LEU A 278 -17.814 -3.284 -2.457 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.338 -2.350 0.019 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.608 -2.456 1.524 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -18.148 -3.804 2.050 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.930 -1.328 2.280 1.00 0.79 C ATOM 0 H LEU A 278 -16.891 -0.351 -0.186 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.324 -3.101 0.262 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.746 -1.404 -0.337 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.888 -3.145 -0.485 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.683 -2.368 1.683 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -18.346 -3.864 3.120 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.688 -4.599 1.536 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -17.079 -3.918 1.872 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -18.138 -1.427 3.345 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.854 -1.374 2.115 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -18.311 -0.371 1.924 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.578 -3.067 -2.374 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.368 -3.495 -3.749 1.00 0.61 C ATOM 1148 C ALA A 279 -13.923 -3.915 -3.969 1.00 0.58 C ATOM 1149 O ALA A 279 -13.653 -4.947 -4.583 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.737 -2.374 -4.712 1.00 0.71 C ATOM 0 H ALA A 279 -14.721 -2.831 -1.874 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.011 -4.354 -3.940 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.575 -2.707 -5.737 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.786 -2.109 -4.578 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.114 -1.502 -4.511 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.991 -3.102 -3.486 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.572 -3.393 -3.658 1.00 0.59 C ATOM 1158 C ASP A 280 -11.015 -4.171 -2.477 1.00 0.50 C ATOM 1159 O ASP A 280 -9.803 -4.368 -2.371 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.767 -2.115 -3.884 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.857 -1.619 -5.317 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -11.962 -1.234 -5.759 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -9.815 -1.587 -6.005 1.00 1.77 O ATOM 0 H ASP A 280 -13.190 -2.242 -2.975 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.478 -4.017 -4.547 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.128 -1.338 -3.210 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.723 -2.297 -3.630 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.922 -4.740 -1.691 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.565 -5.698 -0.646 1.00 0.33 C ATOM 1170 C ASP A 281 -10.810 -6.859 -1.289 1.00 0.34 C ATOM 1171 O ASP A 281 -11.365 -7.553 -2.148 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.843 -6.211 0.026 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.585 -7.166 1.174 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.367 -6.696 2.307 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.616 -8.395 0.948 1.00 0.81 O ATOM 0 H ASP A 281 -12.922 -4.553 -1.758 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.935 -5.223 0.106 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.416 -5.360 0.394 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.460 -6.712 -0.720 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.509 -6.932 -1.033 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.634 -7.839 -1.773 1.00 0.37 C ATOM 1182 C ALA A 282 -7.280 -7.974 -1.084 1.00 0.35 C ATOM 1183 O ALA A 282 -7.215 -8.353 0.079 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.466 -7.329 -3.201 1.00 0.48 C ATOM 0 H ALA A 282 -9.036 -6.376 -0.321 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.090 -8.829 -1.798 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.814 -8.005 -3.754 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.440 -7.285 -3.689 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.024 -6.333 -3.182 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.204 -7.654 -1.799 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.865 -7.661 -1.226 1.00 0.17 C ATOM 1192 C ALA A 283 -3.999 -6.637 -1.940 1.00 0.15 C ATOM 1193 O ALA A 283 -4.011 -6.578 -3.168 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.240 -9.045 -1.318 1.00 0.22 C ATOM 0 H ALA A 283 -6.237 -7.385 -2.782 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.935 -7.397 -0.171 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.241 -9.023 -0.883 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.857 -9.760 -0.773 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.174 -9.346 -2.364 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.241 -5.848 -1.188 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.335 -4.876 -1.786 1.00 0.13 C ATOM 1202 C TYR A 284 -0.896 -5.098 -1.294 1.00 0.14 C ATOM 1203 O TYR A 284 -0.550 -4.782 -0.153 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.766 -3.421 -1.503 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.968 -2.912 -2.294 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.921 -3.804 -2.805 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.162 -1.559 -2.534 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.011 -3.350 -3.521 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.253 -1.104 -3.248 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.155 -1.963 -3.739 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.260 -1.553 -4.446 1.00 0.41 O ATOM 0 H TYR A 284 -3.236 -5.862 -0.168 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.377 -5.031 -2.864 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -2.991 -3.330 -0.440 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.919 -2.766 -1.707 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.801 -4.864 -2.636 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.444 -0.847 -2.154 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.741 -4.045 -3.908 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.380 -0.044 -3.412 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.250 -0.577 -4.531 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.043 -5.542 -2.209 1.00 0.13 N ATOM 1222 CA GLN A 285 1.379 -5.698 -1.963 1.00 0.13 C ATOM 1223 C GLN A 285 2.097 -4.356 -2.092 1.00 0.12 C ATOM 1224 O GLN A 285 1.531 -3.387 -2.598 1.00 0.13 O ATOM 1225 CB GLN A 285 2.005 -6.695 -2.953 1.00 0.12 C ATOM 1226 CG GLN A 285 1.401 -8.086 -2.913 1.00 0.15 C ATOM 1227 CD GLN A 285 0.140 -8.221 -3.741 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.043 -7.343 -4.717 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.656 -9.130 -3.519 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.326 -5.806 -3.153 1.00 0.13 H new ATOM 0 HA GLN A 285 1.495 -6.080 -0.949 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.903 -6.297 -3.963 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.073 -6.770 -2.747 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.139 -8.804 -3.270 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.177 -8.347 -1.879 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.481 -9.787 -2.758 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.492 -9.228 -4.095 1.00 0.18 H new ATOM 1238 N CYS A 286 3.350 -4.318 -1.669 1.00 0.14 N ATOM 1239 CA CYS A 286 4.151 -3.100 -1.766 1.00 0.19 C ATOM 1240 C CYS A 286 5.407 -3.341 -2.545 1.00 0.19 C ATOM 1241 O CYS A 286 5.924 -4.447 -2.530 1.00 0.20 O ATOM 1242 CB CYS A 286 4.523 -2.623 -0.407 1.00 0.28 C ATOM 1243 SG CYS A 286 5.635 -3.722 0.497 1.00 1.00 S ATOM 0 H CYS A 286 3.837 -5.113 -1.255 1.00 0.14 H new ATOM 0 HA CYS A 286 3.549 -2.349 -2.278 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.994 -1.644 -0.496 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.613 -2.487 0.178 1.00 0.28 H new ATOM 0 HG CYS A 286 6.762 -3.113 0.719 1.00 1.00 H new ATOM 1249 N VAL A 287 5.766 -2.389 -3.392 1.00 0.20 N ATOM 1250 CA VAL A 287 6.783 -2.660 -4.379 1.00 0.21 C ATOM 1251 C VAL A 287 7.692 -1.455 -4.661 1.00 0.22 C ATOM 1252 O VAL A 287 7.260 -0.307 -4.773 1.00 0.24 O ATOM 1253 CB VAL A 287 6.120 -3.207 -5.674 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.643 -3.504 -5.413 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.283 -2.266 -6.858 1.00 0.27 C ATOM 0 H VAL A 287 5.376 -1.447 -3.413 1.00 0.20 H new ATOM 0 HA VAL A 287 7.446 -3.423 -3.970 1.00 0.21 H new ATOM 0 HB VAL A 287 6.634 -4.130 -5.942 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.182 -3.887 -6.324 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.556 -4.248 -4.621 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.136 -2.589 -5.108 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.801 -2.698 -7.735 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.821 -1.306 -6.626 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.343 -2.119 -7.062 1.00 0.27 H new ATOM 1265 N VAL A 288 8.971 -1.741 -4.781 1.00 0.24 N ATOM 1266 CA VAL A 288 9.957 -0.728 -5.111 1.00 0.26 C ATOM 1267 C VAL A 288 10.961 -1.324 -6.079 1.00 0.33 C ATOM 1268 O VAL A 288 11.555 -2.367 -5.797 1.00 0.37 O ATOM 1269 CB VAL A 288 10.687 -0.197 -3.855 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.897 0.630 -4.241 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.755 0.638 -2.990 1.00 0.36 C ATOM 0 H VAL A 288 9.357 -2.676 -4.654 1.00 0.24 H new ATOM 0 HA VAL A 288 9.442 0.119 -5.565 1.00 0.26 H new ATOM 0 HB VAL A 288 11.017 -1.063 -3.281 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.393 0.992 -3.340 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.590 0.015 -4.815 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.579 1.479 -4.846 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.296 0.998 -2.115 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.389 1.489 -3.565 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.911 0.027 -2.669 1.00 0.36 H new ATOM 1281 N GLY A 289 11.014 -0.760 -7.280 1.00 0.43 N ATOM 1282 CA GLY A 289 11.840 -1.317 -8.338 1.00 0.57 C ATOM 1283 C GLY A 289 11.207 -2.537 -8.991 1.00 0.73 C ATOM 1284 O GLY A 289 11.291 -2.720 -10.206 1.00 1.51 O ATOM 0 H GLY A 289 10.496 0.079 -7.542 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.017 -0.554 -9.096 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.812 -1.591 -7.929 1.00 0.57 H new ATOM 1288 N GLY A 290 10.592 -3.375 -8.176 1.00 0.41 N ATOM 1289 CA GLY A 290 9.980 -4.598 -8.660 1.00 0.41 C ATOM 1290 C GLY A 290 9.599 -5.509 -7.513 1.00 0.37 C ATOM 1291 O GLY A 290 8.635 -6.270 -7.601 1.00 0.64 O ATOM 0 H GLY A 290 10.503 -3.229 -7.170 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.094 -4.357 -9.247 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.671 -5.116 -9.325 1.00 0.41 H new ATOM 1295 N GLU A 291 10.365 -5.411 -6.437 1.00 0.27 N ATOM 1296 CA GLU A 291 10.149 -6.204 -5.234 1.00 0.22 C ATOM 1297 C GLU A 291 8.778 -5.927 -4.623 1.00 0.16 C ATOM 1298 O GLU A 291 8.451 -4.778 -4.379 1.00 0.19 O ATOM 1299 CB GLU A 291 11.245 -5.858 -4.225 1.00 0.26 C ATOM 1300 CG GLU A 291 12.582 -6.477 -4.578 1.00 0.53 C ATOM 1301 CD GLU A 291 12.543 -7.991 -4.580 1.00 1.48 C ATOM 1302 OE1 GLU A 291 11.613 -8.572 -3.984 1.00 2.19 O ATOM 1303 OE2 GLU A 291 13.458 -8.609 -5.164 1.00 2.11 O ATOM 0 H GLU A 291 11.160 -4.775 -6.373 1.00 0.27 H new ATOM 0 HA GLU A 291 10.186 -7.262 -5.494 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.354 -4.775 -4.170 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.942 -6.198 -3.235 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.893 -6.124 -5.562 1.00 0.53 H new ATOM 0 HG3 GLU A 291 13.334 -6.138 -3.866 1.00 0.53 H new ATOM 1310 N LYS A 292 8.000 -6.980 -4.344 1.00 0.18 N ATOM 1311 CA LYS A 292 6.664 -6.823 -3.754 1.00 0.16 C ATOM 1312 C LYS A 292 6.488 -7.647 -2.470 1.00 0.17 C ATOM 1313 O LYS A 292 6.895 -8.807 -2.393 1.00 0.29 O ATOM 1314 CB LYS A 292 5.577 -7.177 -4.769 1.00 0.18 C ATOM 1315 CG LYS A 292 5.803 -8.481 -5.507 1.00 0.23 C ATOM 1316 CD LYS A 292 4.686 -8.726 -6.501 1.00 0.29 C ATOM 1317 CE LYS A 292 5.034 -9.843 -7.470 1.00 0.49 C ATOM 1318 NZ LYS A 292 6.189 -9.493 -8.336 1.00 1.33 N ATOM 0 H LYS A 292 8.271 -7.948 -4.517 1.00 0.18 H new ATOM 0 HA LYS A 292 6.563 -5.773 -3.479 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.619 -7.229 -4.252 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.503 -6.370 -5.498 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.761 -8.451 -6.027 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.852 -9.305 -4.795 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.771 -8.980 -5.966 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.486 -7.810 -7.057 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.263 -10.750 -6.910 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.168 -10.064 -8.094 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 6.195 -10.111 -9.173 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.108 -8.501 -8.639 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 7.073 -9.621 -7.804 1.00 1.33 H new ATOM 1332 N CYS A 293 5.829 -7.035 -1.485 1.00 0.16 N ATOM 1333 CA CYS A 293 5.488 -7.697 -0.223 1.00 0.18 C ATOM 1334 C CYS A 293 3.982 -7.671 -0.058 1.00 0.15 C ATOM 1335 O CYS A 293 3.368 -6.618 -0.246 1.00 0.14 O ATOM 1336 CB CYS A 293 6.131 -6.995 0.971 1.00 0.28 C ATOM 1337 SG CYS A 293 7.917 -7.193 1.097 1.00 1.55 S ATOM 0 H CYS A 293 5.516 -6.066 -1.539 1.00 0.16 H new ATOM 0 HA CYS A 293 5.863 -8.720 -0.256 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.901 -5.931 0.915 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.673 -7.372 1.885 1.00 0.28 H new ATOM 0 HG CYS A 293 8.352 -6.555 2.143 1.00 1.55 H new ATOM 1343 N SER A 294 3.378 -8.833 0.145 1.00 0.17 N ATOM 1344 CA SER A 294 1.931 -8.947 0.113 1.00 0.18 C ATOM 1345 C SER A 294 1.264 -8.536 1.418 1.00 0.17 C ATOM 1346 O SER A 294 1.762 -8.796 2.514 1.00 0.20 O ATOM 1347 CB SER A 294 1.525 -10.374 -0.265 1.00 0.27 C ATOM 1348 OG SER A 294 2.110 -11.323 0.610 1.00 0.61 O ATOM 0 H SER A 294 3.868 -9.707 0.333 1.00 0.17 H new ATOM 0 HA SER A 294 1.579 -8.247 -0.645 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.439 -10.467 -0.233 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.832 -10.583 -1.290 1.00 0.27 H new ATOM 0 HG SER A 294 1.833 -12.225 0.347 1.00 0.61 H new ATOM 1354 N THR A 295 0.096 -7.938 1.268 1.00 0.17 N ATOM 1355 CA THR A 295 -0.731 -7.546 2.388 1.00 0.15 C ATOM 1356 C THR A 295 -2.193 -7.650 1.975 1.00 0.15 C ATOM 1357 O THR A 295 -2.562 -7.212 0.888 1.00 0.15 O ATOM 1358 CB THR A 295 -0.383 -6.107 2.845 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.130 -6.121 4.182 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.567 -5.155 2.756 1.00 0.20 C ATOM 0 H THR A 295 -0.305 -7.710 0.358 1.00 0.17 H new ATOM 0 HA THR A 295 -0.547 -8.209 3.233 1.00 0.15 H new ATOM 0 HB THR A 295 0.379 -5.737 2.159 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.073 -5.268 4.619 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.262 -4.163 3.089 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.913 -5.101 1.724 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.375 -5.519 3.391 1.00 0.20 H new ATOM 1368 N GLU A 296 -3.003 -8.310 2.779 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.404 -8.478 2.439 1.00 0.15 C ATOM 1370 C GLU A 296 -5.168 -7.206 2.764 1.00 0.14 C ATOM 1371 O GLU A 296 -4.757 -6.424 3.621 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.990 -9.682 3.163 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.131 -10.919 3.007 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.768 -12.164 3.580 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.874 -12.058 4.149 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -4.178 -13.258 3.455 1.00 0.96 O ATOM 0 H GLU A 296 -2.721 -8.735 3.662 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.494 -8.666 1.369 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.099 -9.449 4.222 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.989 -9.885 2.777 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.925 -11.079 1.949 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.172 -10.751 3.497 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.185 -6.936 1.980 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.938 -5.707 2.101 1.00 0.15 C ATOM 1385 C LEU A 297 -8.396 -6.006 2.406 1.00 0.15 C ATOM 1386 O LEU A 297 -9.095 -6.629 1.605 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.819 -4.895 0.808 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.575 -3.569 0.795 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.252 -2.775 2.047 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.205 -2.776 -0.444 1.00 0.29 C ATOM 0 H LEU A 297 -6.514 -7.559 1.242 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.529 -5.122 2.925 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.764 -4.694 0.621 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.178 -5.507 -0.019 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.646 -3.769 0.776 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.796 -1.830 2.029 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.547 -3.347 2.927 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -6.181 -2.576 2.086 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.748 -1.831 -0.447 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.133 -2.578 -0.443 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.468 -3.348 -1.334 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.845 -5.531 3.554 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.224 -5.696 3.971 1.00 0.19 C ATOM 1404 C PHE A 298 -10.873 -4.330 4.110 1.00 0.19 C ATOM 1405 O PHE A 298 -10.270 -3.412 4.656 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.308 -6.428 5.318 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.703 -7.805 5.328 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.328 -7.981 5.299 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.515 -8.926 5.373 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.778 -9.248 5.314 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.970 -10.194 5.388 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.600 -10.354 5.359 1.00 0.45 C ATOM 0 H PHE A 298 -8.265 -5.022 4.221 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.742 -6.289 3.218 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.811 -5.823 6.076 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.356 -6.505 5.609 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.680 -7.118 5.264 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.588 -8.807 5.397 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.705 -9.372 5.291 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.615 -11.060 5.422 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.172 -11.345 5.372 1.00 0.45 H new ATOM 1422 N VAL A 299 -12.092 -4.180 3.629 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.778 -2.913 3.787 1.00 0.28 C ATOM 1424 C VAL A 299 -13.721 -2.929 4.981 1.00 0.32 C ATOM 1425 O VAL A 299 -14.567 -3.817 5.126 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.523 -2.457 2.511 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.397 -3.546 1.933 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -14.344 -1.214 2.796 1.00 0.35 C ATOM 0 H VAL A 299 -12.618 -4.902 3.136 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.995 -2.178 3.973 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.766 -2.224 1.762 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.898 -3.175 1.039 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.781 -4.407 1.673 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.143 -3.843 2.670 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.863 -0.905 1.889 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -15.074 -1.431 3.575 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.686 -0.412 3.129 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.588 -1.902 5.804 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.452 -1.709 6.944 1.00 0.41 C ATOM 1440 C LYS A 300 -15.488 -0.654 6.582 1.00 0.40 C ATOM 1441 O LYS A 300 -15.139 0.417 6.067 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.612 -1.273 8.149 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.161 -1.723 9.493 1.00 1.17 C ATOM 1444 CD LYS A 300 -15.243 -0.792 10.013 1.00 1.72 C ATOM 1445 CE LYS A 300 -15.635 -1.149 11.438 1.00 2.32 C ATOM 1446 NZ LYS A 300 -14.454 -1.180 12.347 1.00 3.03 N ATOM 0 H LYS A 300 -12.875 -1.181 5.695 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.963 -2.635 7.209 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.602 -1.665 8.033 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.534 -0.186 8.148 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -14.566 -2.731 9.399 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -13.348 -1.772 10.217 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -14.888 0.238 9.977 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -16.119 -0.850 9.366 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -16.359 -0.423 11.808 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -16.126 -2.122 11.447 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -14.724 -0.807 13.280 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -14.120 -2.160 12.449 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.693 -0.595 11.947 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.752 -1.006 6.731 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.839 -0.132 6.323 1.00 0.57 C ATOM 1462 C GLU A 301 -17.868 1.136 7.176 1.00 0.65 C ATOM 1463 O GLU A 301 -17.697 1.029 8.409 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.177 -0.858 6.434 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.312 -2.037 5.487 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.658 -2.723 5.604 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.527 -2.221 6.347 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.853 -3.783 4.963 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.067 2.232 6.617 1.00 1.20 O ATOM 0 H GLU A 301 -17.053 -1.894 7.133 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.671 0.150 5.284 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.306 -1.209 7.458 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.982 -0.150 6.236 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.170 -1.694 4.462 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.521 -2.758 5.694 1.00 0.66 H new