USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=30 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 248 LYS NZ :NH3+ 177:sc= 2.12 (180deg=1.07) USER MOD Set 1.2: A 276 CYS SG : rot -52:sc= -3.55 USER MOD Set 1.3: A 284 TYR OH : rot 102:sc= 1.46 USER MOD Set 2.1: A 258 SER OG : rot 160:sc= 1.01 USER MOD Set 2.2: A 259 LYS NZ :NH3+ -166:sc= 1.23 (180deg=-0.203) USER MOD Set 2.3: A 275 GLN : amide:sc= 0 X(o=2.2,f=2.2) USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 226 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 229 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.0039) USER MOD Set 5.1: A 218 LYS NZ :NH3+ -110:sc= -0.463 (180deg=-2.39) USER MOD Set 5.2: A 286 CYS SG : rot 115:sc= -8.53! USER MOD Set 6.1: A 216 GLN :FLIP amide:sc=-0.000923 X(o=-0.19,f=0.26) USER MOD Set 6.2: A 240 HIS :FLIP no HE2:sc= 0.261 F(o=-2.5,f=0.26) USER MOD Single : A 217 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0181) USER MOD Single : A 223 TYR OH : rot -140:sc= -0.12 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= -0.239 (180deg=-0.239) USER MOD Single : A 230 LYS NZ :NH3+ -159:sc= -0.0726 (180deg=-0.402) USER MOD Single : A 245 LYS NZ :NH3+ 177:sc= 1.34 (180deg=1.12) USER MOD Single : A 249 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.98) USER MOD Single : A 251 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.033) USER MOD Single : A 254 GLN : amide:sc= 0.642 K(o=0.64,f=-6.9!) USER MOD Single : A 255 MET CE :methyl -175:sc= -0.302 (180deg=-0.327) USER MOD Single : A 256 SER OG : rot 180:sc= 0.263 USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= -0.0935 USER MOD Single : A 268 LYS NZ :NH3+ -114:sc= 0.809 (180deg=-0.297) USER MOD Single : A 272 THR OG1 : rot 160:sc= 0.809 USER MOD Single : A 274 SER OG : rot 180:sc= -0.487 USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.7! C(o=-15!,f=-12!) USER MOD Single : A 292 LYS NZ :NH3+ -170:sc=-0.00382 (180deg=-0.0834) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 295 THR OG1 : rot -154:sc= -3.17! USER MOD Single : A 300 LYS NZ :NH3+ -175:sc= 0.909 (180deg=0.848) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.802 -3.041 -0.152 1.00 0.50 N ATOM 98 CA ALA A 214 12.570 -1.965 0.440 1.00 0.39 C ATOM 99 C ALA A 214 11.762 -1.277 1.516 1.00 0.25 C ATOM 100 O ALA A 214 12.072 -0.164 1.927 1.00 0.27 O ATOM 101 CB ALA A 214 12.981 -0.954 -0.604 1.00 0.48 C ATOM 0 HA ALA A 214 13.469 -2.398 0.880 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.556 -0.157 -0.132 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.592 -1.443 -1.363 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.092 -0.532 -1.071 1.00 0.48 H new ATOM 107 N PHE A 215 10.739 -1.954 1.988 1.00 0.25 N ATOM 108 CA PHE A 215 9.939 -1.447 3.072 1.00 0.18 C ATOM 109 C PHE A 215 10.456 -2.060 4.349 1.00 0.21 C ATOM 110 O PHE A 215 10.230 -3.242 4.610 1.00 0.28 O ATOM 111 CB PHE A 215 8.446 -1.768 2.869 1.00 0.20 C ATOM 112 CG PHE A 215 7.891 -1.310 1.536 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.366 -1.843 0.349 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.894 -0.346 1.467 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.867 -1.429 -0.868 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.394 0.074 0.252 1.00 0.31 C ATOM 117 CZ PHE A 215 6.881 -0.468 -0.917 1.00 0.35 C ATOM 0 H PHE A 215 10.443 -2.863 1.633 1.00 0.25 H new ATOM 0 HA PHE A 215 10.018 -0.361 3.115 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.301 -2.844 2.960 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.873 -1.300 3.669 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.140 -2.595 0.377 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.504 0.082 2.379 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.249 -1.858 -1.783 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.621 0.827 0.217 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.491 -0.141 -1.869 1.00 0.35 H new ATOM 127 N GLN A 216 11.202 -1.250 5.093 1.00 0.18 N ATOM 128 CA GLN A 216 11.799 -1.643 6.362 1.00 0.21 C ATOM 129 C GLN A 216 10.815 -2.474 7.147 1.00 0.24 C ATOM 130 O GLN A 216 11.037 -3.652 7.425 1.00 0.31 O ATOM 131 CB GLN A 216 12.112 -0.383 7.155 1.00 0.20 C ATOM 132 CG GLN A 216 13.425 -0.435 7.913 1.00 0.25 C ATOM 133 CD GLN A 216 13.636 0.789 8.783 1.00 0.30 C ATOM 134 OE1 GLN A 216 14.645 1.577 8.458 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 12.886 1.030 9.730 1.00 0.79 N flip ATOM 0 H GLN A 216 11.411 -0.288 4.826 1.00 0.18 H new ATOM 0 HA GLN A 216 12.705 -2.222 6.182 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.133 0.467 6.472 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.303 -0.203 7.863 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.447 -1.329 8.536 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.248 -0.520 7.204 1.00 0.25 H new ATOM 0 HE21 GLN A 216 12.118 0.395 9.947 1.00 0.79 H new ATOM 0 HE22 GLN A 216 13.033 1.865 10.297 1.00 0.79 H new ATOM 144 N LYS A 217 9.656 -1.885 7.336 1.00 0.20 N ATOM 145 CA LYS A 217 8.535 -2.580 7.892 1.00 0.22 C ATOM 146 C LYS A 217 7.280 -2.233 7.101 1.00 0.17 C ATOM 147 O LYS A 217 6.838 -1.088 7.128 1.00 0.17 O ATOM 148 CB LYS A 217 8.371 -2.152 9.345 1.00 0.28 C ATOM 149 CG LYS A 217 7.243 -2.846 10.064 1.00 0.36 C ATOM 150 CD LYS A 217 6.868 -2.088 11.324 1.00 0.59 C ATOM 151 CE LYS A 217 5.817 -2.824 12.139 1.00 1.26 C ATOM 152 NZ LYS A 217 6.377 -4.017 12.827 1.00 1.85 N ATOM 0 H LYS A 217 9.472 -0.909 7.106 1.00 0.20 H new ATOM 0 HA LYS A 217 8.696 -3.657 7.842 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.302 -2.346 9.878 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.203 -1.076 9.379 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.377 -2.921 9.407 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.538 -3.864 10.319 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.758 -1.935 11.934 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.493 -1.101 11.055 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.392 -2.146 12.879 1.00 1.26 H new ATOM 0 HE3 LYS A 217 5.002 -3.133 11.484 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 5.649 -4.440 13.437 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 6.683 -4.715 12.119 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 7.192 -3.733 13.407 1.00 1.85 H new ATOM 166 N LYS A 218 6.600 -3.232 6.579 1.00 0.19 N ATOM 167 CA LYS A 218 5.276 -2.998 6.028 1.00 0.20 C ATOM 168 C LYS A 218 4.256 -3.217 7.132 1.00 0.18 C ATOM 169 O LYS A 218 4.482 -4.034 8.027 1.00 0.20 O ATOM 170 CB LYS A 218 4.966 -3.907 4.824 1.00 0.31 C ATOM 171 CG LYS A 218 3.665 -3.525 4.134 1.00 0.39 C ATOM 172 CD LYS A 218 3.327 -4.426 2.970 1.00 0.96 C ATOM 173 CE LYS A 218 2.130 -3.875 2.219 1.00 1.56 C ATOM 174 NZ LYS A 218 1.873 -4.614 0.962 1.00 2.42 N ATOM 0 H LYS A 218 6.930 -4.195 6.523 1.00 0.19 H new ATOM 0 HA LYS A 218 5.232 -1.974 5.657 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.785 -3.850 4.108 1.00 0.31 H new ATOM 0 HB3 LYS A 218 4.907 -4.943 5.159 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.852 -3.558 4.860 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.736 -2.496 3.781 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.183 -4.504 2.300 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.110 -5.432 3.329 1.00 0.96 H new ATOM 0 HE2 LYS A 218 1.247 -3.927 2.856 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.298 -2.822 1.992 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.103 -4.007 0.149 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.465 -5.469 0.935 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 0.870 -4.886 0.918 1.00 2.42 H new ATOM 188 N LEU A 219 3.156 -2.480 7.092 1.00 0.16 N ATOM 189 CA LEU A 219 2.106 -2.639 8.084 1.00 0.16 C ATOM 190 C LEU A 219 1.515 -4.051 8.009 1.00 0.16 C ATOM 191 O LEU A 219 1.823 -4.803 7.080 1.00 0.17 O ATOM 192 CB LEU A 219 1.016 -1.580 7.916 1.00 0.20 C ATOM 193 CG LEU A 219 0.931 -0.549 9.047 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.536 -1.223 10.354 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.254 0.185 9.210 1.00 1.62 C ATOM 0 H LEU A 219 2.969 -1.769 6.385 1.00 0.16 H new ATOM 0 HA LEU A 219 2.547 -2.499 9.071 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.185 -1.053 6.977 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.053 -2.083 7.831 1.00 0.20 H new ATOM 0 HG LEU A 219 0.164 0.180 8.785 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.480 -0.476 11.146 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.436 -1.701 10.237 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.281 -1.975 10.615 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.170 0.912 10.018 1.00 1.62 H new ATOM 0 HD22 LEU A 219 3.041 -0.531 9.446 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.500 0.701 8.282 1.00 1.62 H new ATOM 207 N GLU A 220 0.765 -4.438 9.043 1.00 0.17 N ATOM 208 CA GLU A 220 0.228 -5.798 9.164 1.00 0.20 C ATOM 209 C GLU A 220 -0.413 -6.276 7.864 1.00 0.19 C ATOM 210 O GLU A 220 -0.994 -5.483 7.130 1.00 0.19 O ATOM 211 CB GLU A 220 -0.817 -5.853 10.284 1.00 0.23 C ATOM 212 CG GLU A 220 -2.036 -4.977 10.031 1.00 0.24 C ATOM 213 CD GLU A 220 -3.130 -5.207 11.048 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.653 -6.338 11.117 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.481 -4.256 11.782 1.00 1.12 O ATOM 0 H GLU A 220 0.513 -3.823 9.817 1.00 0.17 H new ATOM 0 HA GLU A 220 1.066 -6.456 9.396 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.143 -6.885 10.413 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.349 -5.547 11.220 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.738 -3.929 10.052 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.424 -5.178 9.032 1.00 0.24 H new ATOM 222 N PRO A 221 -0.275 -7.583 7.549 1.00 0.22 N ATOM 223 CA PRO A 221 -0.796 -8.187 6.307 1.00 0.23 C ATOM 224 C PRO A 221 -2.323 -8.178 6.206 1.00 0.20 C ATOM 225 O PRO A 221 -2.902 -8.978 5.473 1.00 0.19 O ATOM 226 CB PRO A 221 -0.281 -9.631 6.357 1.00 0.29 C ATOM 227 CG PRO A 221 0.824 -9.618 7.355 1.00 0.57 C ATOM 228 CD PRO A 221 0.453 -8.568 8.361 1.00 0.26 C ATOM 0 HA PRO A 221 -0.463 -7.620 5.437 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.071 -10.321 6.654 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.075 -9.956 5.379 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.934 -10.593 7.830 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.777 -9.385 6.880 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.169 -8.974 9.159 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.333 -8.132 8.834 1.00 0.26 H new ATOM 236 N ALA A 222 -2.945 -7.168 6.788 1.00 0.20 N ATOM 237 CA ALA A 222 -4.370 -6.950 6.652 1.00 0.19 C ATOM 238 C ALA A 222 -4.688 -5.476 6.831 1.00 0.15 C ATOM 239 O ALA A 222 -5.038 -5.025 7.922 1.00 0.17 O ATOM 240 CB ALA A 222 -5.159 -7.780 7.648 1.00 0.24 C ATOM 0 H ALA A 222 -2.473 -6.475 7.369 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.664 -7.265 5.651 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.224 -7.590 7.516 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.955 -8.838 7.482 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.865 -7.509 8.662 1.00 0.24 H new ATOM 246 N TYR A 223 -4.606 -4.743 5.739 1.00 0.12 N ATOM 247 CA TYR A 223 -4.970 -3.340 5.742 1.00 0.11 C ATOM 248 C TYR A 223 -6.484 -3.236 5.680 1.00 0.13 C ATOM 249 O TYR A 223 -7.109 -3.902 4.860 1.00 0.17 O ATOM 250 CB TYR A 223 -4.351 -2.614 4.540 1.00 0.12 C ATOM 251 CG TYR A 223 -2.852 -2.383 4.622 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.024 -3.206 5.371 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.269 -1.333 3.929 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.661 -2.985 5.424 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.906 -1.112 3.978 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.111 -1.936 4.723 1.00 0.16 C ATOM 257 OH TYR A 223 1.244 -1.713 4.764 1.00 0.21 O ATOM 0 H TYR A 223 -4.290 -5.096 4.836 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.593 -2.871 6.651 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.564 -3.190 3.640 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.845 -1.649 4.426 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.451 -4.032 5.921 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.892 -0.676 3.340 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.029 -3.633 6.013 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.470 -0.290 3.429 1.00 0.20 H new ATOM 0 HH TYR A 223 1.416 -0.750 4.816 1.00 0.21 H new ATOM 267 N GLN A 224 -7.076 -2.491 6.597 1.00 0.15 N ATOM 268 CA GLN A 224 -8.526 -2.395 6.656 1.00 0.18 C ATOM 269 C GLN A 224 -9.009 -1.024 6.204 1.00 0.17 C ATOM 270 O GLN A 224 -8.881 -0.040 6.933 1.00 0.22 O ATOM 271 CB GLN A 224 -9.019 -2.684 8.074 1.00 0.26 C ATOM 272 CG GLN A 224 -8.795 -4.120 8.517 1.00 0.34 C ATOM 273 CD GLN A 224 -9.273 -4.368 9.933 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.765 -3.775 10.884 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.257 -5.236 10.082 1.00 0.99 N ATOM 0 H GLN A 224 -6.582 -1.948 7.305 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.938 -3.140 5.975 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.511 -2.015 8.769 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.083 -2.457 8.133 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.317 -4.793 7.837 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.733 -4.357 8.448 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.650 -5.706 9.267 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.624 -5.436 11.012 1.00 0.99 H new ATOM 284 N VAL A 225 -9.579 -0.969 5.003 1.00 0.16 N ATOM 285 CA VAL A 225 -10.132 0.262 4.472 1.00 0.18 C ATOM 286 C VAL A 225 -11.272 0.731 5.337 1.00 0.24 C ATOM 287 O VAL A 225 -12.253 0.016 5.486 1.00 0.30 O ATOM 288 CB VAL A 225 -10.716 0.089 3.053 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.972 1.445 2.408 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.832 -0.772 2.177 1.00 0.77 C ATOM 0 H VAL A 225 -9.668 -1.772 4.380 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.306 0.973 4.448 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.669 -0.431 3.153 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.383 1.301 1.409 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.681 2.008 3.015 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.035 1.997 2.338 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.281 -0.867 1.188 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.849 -0.310 2.086 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.728 -1.760 2.625 1.00 0.77 H new ATOM 300 N SER A 226 -11.303 2.002 5.616 1.00 0.26 N ATOM 301 CA SER A 226 -12.537 2.569 6.083 1.00 0.33 C ATOM 302 C SER A 226 -13.316 2.942 4.832 1.00 0.32 C ATOM 303 O SER A 226 -12.823 3.740 4.038 1.00 0.32 O ATOM 304 CB SER A 226 -12.286 3.784 6.972 1.00 0.42 C ATOM 305 OG SER A 226 -13.480 4.227 7.595 1.00 1.20 O ATOM 0 H SER A 226 -10.518 2.648 5.533 1.00 0.26 H new ATOM 0 HA SER A 226 -13.094 1.864 6.700 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.548 3.532 7.734 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.864 4.592 6.375 1.00 0.42 H new ATOM 0 HG SER A 226 -13.286 5.005 8.159 1.00 1.20 H new ATOM 311 N LYS A 227 -14.297 2.109 4.487 1.00 0.34 N ATOM 312 CA LYS A 227 -14.927 2.179 3.167 1.00 0.37 C ATOM 313 C LYS A 227 -15.228 3.612 2.752 1.00 0.42 C ATOM 314 O LYS A 227 -15.928 4.351 3.451 1.00 0.48 O ATOM 315 CB LYS A 227 -16.207 1.332 3.109 1.00 0.44 C ATOM 316 CG LYS A 227 -17.393 2.033 2.450 1.00 0.95 C ATOM 317 CD LYS A 227 -18.735 1.566 2.996 1.00 0.93 C ATOM 318 CE LYS A 227 -19.041 0.126 2.626 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.466 -0.212 2.879 1.00 1.54 N ATOM 0 H LYS A 227 -14.671 1.382 5.097 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.207 1.769 2.459 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.996 0.411 2.565 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.486 1.046 4.123 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.301 3.109 2.598 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.362 1.855 1.375 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.738 1.668 4.081 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -19.525 2.212 2.613 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.809 -0.037 1.574 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.400 -0.542 3.201 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.640 -1.203 2.615 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.680 -0.080 3.888 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -21.076 0.410 2.311 1.00 1.54 H new ATOM 333 N GLY A 228 -14.675 3.987 1.610 1.00 0.46 N ATOM 334 CA GLY A 228 -14.908 5.311 1.059 1.00 0.57 C ATOM 335 C GLY A 228 -14.157 6.406 1.793 1.00 0.57 C ATOM 336 O GLY A 228 -14.139 7.555 1.352 1.00 0.70 O ATOM 0 H GLY A 228 -14.063 3.395 1.048 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.613 5.318 0.010 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.976 5.528 1.091 1.00 0.57 H new ATOM 340 N HIS A 229 -13.488 6.042 2.875 1.00 0.47 N ATOM 341 CA HIS A 229 -12.696 6.993 3.644 1.00 0.53 C ATOM 342 C HIS A 229 -11.288 7.051 3.075 1.00 0.54 C ATOM 343 O HIS A 229 -10.436 7.784 3.574 1.00 1.02 O ATOM 344 CB HIS A 229 -12.651 6.586 5.120 1.00 0.55 C ATOM 345 CG HIS A 229 -12.267 7.699 6.055 1.00 1.32 C ATOM 346 ND1 HIS A 229 -12.011 7.506 7.399 1.00 1.94 N ATOM 347 CD2 HIS A 229 -12.126 9.031 5.842 1.00 2.31 C ATOM 348 CE1 HIS A 229 -11.734 8.666 7.965 1.00 2.66 C ATOM 349 NE2 HIS A 229 -11.795 9.604 7.042 1.00 2.89 N ATOM 0 H HIS A 229 -13.477 5.091 3.243 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.157 7.978 3.575 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.630 6.204 5.410 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.942 5.767 5.238 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -12.251 9.545 4.901 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -11.498 8.820 9.008 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -11.623 10.598 7.196 1.00 2.89 H new ATOM 358 N LYS A 230 -11.062 6.231 2.050 1.00 0.30 N ATOM 359 CA LYS A 230 -9.761 6.102 1.392 1.00 0.28 C ATOM 360 C LYS A 230 -8.759 5.425 2.316 1.00 0.24 C ATOM 361 O LYS A 230 -8.328 6.013 3.311 1.00 0.28 O ATOM 362 CB LYS A 230 -9.193 7.466 0.955 1.00 0.36 C ATOM 363 CG LYS A 230 -10.014 8.201 -0.096 1.00 1.00 C ATOM 364 CD LYS A 230 -11.047 9.129 0.524 1.00 1.23 C ATOM 365 CE LYS A 230 -11.646 10.070 -0.511 1.00 1.65 C ATOM 366 NZ LYS A 230 -10.629 11.008 -1.063 1.00 2.24 N ATOM 0 H LYS A 230 -11.783 5.631 1.648 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.920 5.493 0.502 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -9.103 8.103 1.835 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.186 7.315 0.567 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.347 8.779 -0.736 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.518 7.475 -0.734 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -11.840 8.538 0.982 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -10.583 9.711 1.321 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -12.081 9.487 -1.323 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -12.457 10.640 -0.057 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -11.107 11.836 -1.472 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.992 11.317 -0.301 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -10.077 10.526 -1.801 1.00 2.24 H new ATOM 380 N ILE A 231 -8.379 4.193 2.007 1.00 0.20 N ATOM 381 CA ILE A 231 -7.418 3.504 2.864 1.00 0.17 C ATOM 382 C ILE A 231 -5.990 3.824 2.439 1.00 0.16 C ATOM 383 O ILE A 231 -5.682 3.902 1.253 1.00 0.17 O ATOM 384 CB ILE A 231 -7.616 1.975 2.899 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.587 1.349 3.852 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.467 1.387 1.508 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.678 -0.149 3.985 1.00 0.19 C ATOM 0 H ILE A 231 -8.706 3.663 1.199 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.598 3.875 3.873 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.622 1.755 3.257 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.587 1.609 3.505 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.708 1.795 4.839 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.610 0.307 1.552 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.214 1.825 0.846 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.470 1.606 1.125 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.913 -0.500 4.678 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.663 -0.421 4.364 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.524 -0.611 3.010 1.00 0.19 H new ATOM 399 N ARG A 232 -5.140 4.091 3.415 1.00 0.17 N ATOM 400 CA ARG A 232 -3.765 4.474 3.150 1.00 0.17 C ATOM 401 C ARG A 232 -2.829 3.328 3.520 1.00 0.15 C ATOM 402 O ARG A 232 -3.024 2.677 4.545 1.00 0.19 O ATOM 403 CB ARG A 232 -3.431 5.735 3.949 1.00 0.22 C ATOM 404 CG ARG A 232 -4.537 6.778 3.910 1.00 0.34 C ATOM 405 CD ARG A 232 -4.155 8.043 4.657 1.00 0.77 C ATOM 406 NE ARG A 232 -3.332 8.946 3.849 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.900 10.133 4.279 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.177 10.530 5.514 1.00 2.48 N ATOM 409 NH2 ARG A 232 -2.208 10.928 3.477 1.00 3.14 N ATOM 0 H ARG A 232 -5.381 4.049 4.405 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.636 4.688 2.089 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.236 5.460 4.986 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.513 6.173 3.557 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.766 7.025 2.873 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.444 6.360 4.346 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -5.060 8.564 4.969 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.612 7.776 5.564 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.075 8.652 2.907 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -3.720 9.928 6.134 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -2.847 11.437 5.844 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -2.001 10.635 2.522 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -1.882 11.834 3.814 1.00 3.14 H new ATOM 423 N LEU A 233 -1.866 3.021 2.655 1.00 0.13 N ATOM 424 CA LEU A 233 -0.985 1.899 2.885 1.00 0.14 C ATOM 425 C LEU A 233 0.288 2.381 3.548 1.00 0.13 C ATOM 426 O LEU A 233 1.183 2.891 2.882 1.00 0.13 O ATOM 427 CB LEU A 233 -0.683 1.180 1.562 1.00 0.15 C ATOM 428 CG LEU A 233 -1.754 0.176 1.094 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.109 0.846 0.904 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.327 -0.503 -0.195 1.00 0.23 C ATOM 0 H LEU A 233 -1.683 3.536 1.794 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.472 1.185 3.549 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.548 1.931 0.783 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.265 0.652 1.664 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.856 -0.576 1.876 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.838 0.106 0.574 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.436 1.280 1.849 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.024 1.632 0.153 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.098 -1.208 -0.508 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.185 0.248 -0.972 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.391 -1.037 -0.032 1.00 0.23 H new ATOM 442 N THR A 234 0.310 2.316 4.869 1.00 0.14 N ATOM 443 CA THR A 234 1.420 2.835 5.642 1.00 0.16 C ATOM 444 C THR A 234 2.521 1.796 5.778 1.00 0.16 C ATOM 445 O THR A 234 2.251 0.612 5.992 1.00 0.22 O ATOM 446 CB THR A 234 0.969 3.271 7.046 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.257 4.011 6.956 1.00 0.33 O ATOM 448 CG2 THR A 234 2.036 4.127 7.715 1.00 0.24 C ATOM 0 H THR A 234 -0.436 1.905 5.430 1.00 0.14 H new ATOM 0 HA THR A 234 1.803 3.703 5.105 1.00 0.16 H new ATOM 0 HB THR A 234 0.812 2.377 7.650 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.541 4.285 7.853 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.695 4.424 8.707 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.959 3.554 7.805 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.219 5.017 7.113 1.00 0.24 H new ATOM 456 N VAL A 235 3.755 2.244 5.622 1.00 0.14 N ATOM 457 CA VAL A 235 4.918 1.381 5.720 1.00 0.14 C ATOM 458 C VAL A 235 6.094 2.178 6.255 1.00 0.14 C ATOM 459 O VAL A 235 6.275 3.329 5.878 1.00 0.16 O ATOM 460 CB VAL A 235 5.326 0.808 4.347 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.252 -0.079 3.779 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.606 1.930 3.381 1.00 0.14 C ATOM 0 H VAL A 235 3.978 3.219 5.423 1.00 0.14 H new ATOM 0 HA VAL A 235 4.656 0.558 6.385 1.00 0.14 H new ATOM 0 HB VAL A 235 6.226 0.210 4.493 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.573 -0.465 2.812 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.070 -0.911 4.459 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.334 0.495 3.654 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.893 1.515 2.415 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.710 2.540 3.262 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.417 2.548 3.766 1.00 0.14 H new ATOM 472 N GLU A 236 6.990 1.525 6.962 1.00 0.13 N ATOM 473 CA GLU A 236 8.246 2.152 7.270 1.00 0.13 C ATOM 474 C GLU A 236 9.230 1.717 6.213 1.00 0.13 C ATOM 475 O GLU A 236 9.387 0.526 5.975 1.00 0.17 O ATOM 476 CB GLU A 236 8.750 1.766 8.657 1.00 0.18 C ATOM 477 CG GLU A 236 9.693 2.799 9.243 1.00 0.29 C ATOM 478 CD GLU A 236 9.787 2.717 10.746 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.336 1.701 11.313 1.00 1.18 O ATOM 480 OE2 GLU A 236 10.311 3.660 11.367 1.00 1.05 O ATOM 0 H GLU A 236 6.872 0.579 7.326 1.00 0.13 H new ATOM 0 HA GLU A 236 8.125 3.235 7.276 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.899 1.636 9.325 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.260 0.805 8.600 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.686 2.664 8.813 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.356 3.796 8.958 1.00 0.29 H new ATOM 487 N LEU A 237 9.735 2.661 5.452 1.00 0.13 N ATOM 488 CA LEU A 237 10.585 2.333 4.330 1.00 0.15 C ATOM 489 C LEU A 237 12.014 2.099 4.771 1.00 0.17 C ATOM 490 O LEU A 237 12.473 2.675 5.748 1.00 0.19 O ATOM 491 CB LEU A 237 10.557 3.440 3.287 1.00 0.17 C ATOM 492 CG LEU A 237 9.577 3.240 2.139 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.661 4.425 1.194 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.887 1.949 1.403 1.00 0.55 C ATOM 0 H LEU A 237 9.573 3.659 5.588 1.00 0.13 H new ATOM 0 HA LEU A 237 10.197 1.414 3.891 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.317 4.379 3.786 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.559 3.548 2.871 1.00 0.17 H new ATOM 0 HG LEU A 237 8.564 3.171 2.535 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.960 4.284 0.371 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.409 5.339 1.733 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.674 4.504 0.799 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.179 1.818 0.585 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.900 1.992 1.003 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.805 1.109 2.092 1.00 0.55 H new ATOM 506 N ALA A 238 12.733 1.337 3.968 1.00 0.19 N ATOM 507 CA ALA A 238 14.164 1.177 4.130 1.00 0.21 C ATOM 508 C ALA A 238 14.856 2.277 3.340 1.00 0.23 C ATOM 509 O ALA A 238 15.847 2.855 3.773 1.00 0.28 O ATOM 510 CB ALA A 238 14.597 -0.192 3.640 1.00 0.25 C ATOM 0 H ALA A 238 12.341 0.812 3.186 1.00 0.19 H new ATOM 0 HA ALA A 238 14.437 1.253 5.183 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.674 -0.300 3.767 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.085 -0.963 4.215 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.344 -0.298 2.585 1.00 0.25 H new ATOM 516 N ASP A 239 14.231 2.623 2.221 1.00 0.22 N ATOM 517 CA ASP A 239 14.685 3.724 1.375 1.00 0.25 C ATOM 518 C ASP A 239 14.406 5.059 2.034 1.00 0.25 C ATOM 519 O ASP A 239 15.173 6.007 1.889 1.00 0.34 O ATOM 520 CB ASP A 239 13.991 3.685 0.020 1.00 0.31 C ATOM 521 CG ASP A 239 14.675 2.741 -0.947 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.702 1.521 -0.677 1.00 1.19 O ATOM 523 OD2 ASP A 239 15.168 3.207 -1.993 1.00 1.28 O ATOM 0 H ASP A 239 13.397 2.150 1.874 1.00 0.22 H new ATOM 0 HA ASP A 239 15.760 3.609 1.234 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.954 3.377 0.154 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.973 4.688 -0.406 1.00 0.31 H new ATOM 528 N HIS A 240 13.268 5.121 2.718 1.00 0.27 N ATOM 529 CA HIS A 240 12.804 6.318 3.426 1.00 0.39 C ATOM 530 C HIS A 240 12.236 7.361 2.465 1.00 0.47 C ATOM 531 O HIS A 240 11.126 7.841 2.665 1.00 0.70 O ATOM 532 CB HIS A 240 13.917 6.954 4.278 1.00 0.46 C ATOM 533 CG HIS A 240 14.513 6.039 5.306 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.344 4.713 5.524 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.419 6.464 6.248 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.148 4.365 6.583 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.785 5.444 6.999 1.00 0.48 N flip ATOM 0 H HIS A 240 12.629 4.330 2.800 1.00 0.27 H new ATOM 0 HA HIS A 240 12.008 5.985 4.092 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.710 7.302 3.616 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.514 7.833 4.782 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.733 4.088 4.999 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.776 7.477 6.356 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.243 3.375 7.004 1.00 0.57 H new ATOM 546 N ASP A 241 13.020 7.754 1.466 1.00 0.41 N ATOM 547 CA ASP A 241 12.614 8.823 0.555 1.00 0.51 C ATOM 548 C ASP A 241 12.592 8.347 -0.893 1.00 0.44 C ATOM 549 O ASP A 241 13.018 9.051 -1.813 1.00 0.78 O ATOM 550 CB ASP A 241 13.545 10.032 0.710 1.00 0.80 C ATOM 551 CG ASP A 241 14.947 9.789 0.172 1.00 1.53 C ATOM 552 OD1 ASP A 241 15.593 8.815 0.611 1.00 2.22 O ATOM 553 OD2 ASP A 241 15.409 10.559 -0.699 1.00 2.08 O ATOM 0 H ASP A 241 13.936 7.352 1.266 1.00 0.41 H new ATOM 0 HA ASP A 241 11.599 9.121 0.818 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.108 10.886 0.192 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.610 10.298 1.765 1.00 0.80 H new ATOM 558 N ALA A 242 12.006 7.188 -1.097 1.00 0.33 N ATOM 559 CA ALA A 242 11.860 6.637 -2.430 1.00 0.30 C ATOM 560 C ALA A 242 10.397 6.567 -2.833 1.00 0.24 C ATOM 561 O ALA A 242 9.517 6.419 -1.979 1.00 0.28 O ATOM 562 CB ALA A 242 12.488 5.262 -2.489 1.00 0.38 C ATOM 0 H ALA A 242 11.620 6.605 -0.354 1.00 0.33 H new ATOM 0 HA ALA A 242 12.371 7.294 -3.133 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.375 4.853 -3.493 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.548 5.335 -2.244 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.994 4.606 -1.772 1.00 0.38 H new ATOM 568 N GLU A 243 10.150 6.587 -4.135 1.00 0.26 N ATOM 569 CA GLU A 243 8.803 6.405 -4.644 1.00 0.30 C ATOM 570 C GLU A 243 8.381 4.963 -4.430 1.00 0.25 C ATOM 571 O GLU A 243 8.998 4.042 -4.971 1.00 0.25 O ATOM 572 CB GLU A 243 8.737 6.737 -6.138 1.00 0.39 C ATOM 573 CG GLU A 243 9.169 8.151 -6.484 1.00 0.67 C ATOM 574 CD GLU A 243 9.104 8.430 -7.975 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.741 7.511 -8.742 1.00 1.64 O ATOM 576 OE2 GLU A 243 9.412 9.567 -8.388 1.00 1.56 O ATOM 0 H GLU A 243 10.861 6.727 -4.852 1.00 0.26 H new ATOM 0 HA GLU A 243 8.132 7.077 -4.109 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.367 6.034 -6.683 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.715 6.586 -6.487 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.532 8.861 -5.957 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.188 8.313 -6.131 1.00 0.67 H new ATOM 583 N VAL A 244 7.324 4.762 -3.667 1.00 0.24 N ATOM 584 CA VAL A 244 6.835 3.420 -3.430 1.00 0.21 C ATOM 585 C VAL A 244 5.743 3.072 -4.420 1.00 0.20 C ATOM 586 O VAL A 244 4.733 3.770 -4.530 1.00 0.23 O ATOM 587 CB VAL A 244 6.334 3.211 -1.978 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.511 3.198 -1.021 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.313 4.279 -1.564 1.00 0.27 C ATOM 0 H VAL A 244 6.794 5.501 -3.206 1.00 0.24 H new ATOM 0 HA VAL A 244 7.681 2.747 -3.573 1.00 0.21 H new ATOM 0 HB VAL A 244 5.826 2.248 -1.936 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.151 3.051 -0.003 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.188 2.386 -1.287 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.042 4.148 -1.084 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.988 4.095 -0.540 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.772 5.265 -1.627 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.452 4.237 -2.231 1.00 0.27 H new ATOM 599 N LYS A 245 5.958 1.986 -5.132 1.00 0.18 N ATOM 600 CA LYS A 245 4.977 1.472 -6.062 1.00 0.19 C ATOM 601 C LYS A 245 4.264 0.325 -5.377 1.00 0.15 C ATOM 602 O LYS A 245 4.761 -0.209 -4.387 1.00 0.16 O ATOM 603 CB LYS A 245 5.643 1.006 -7.362 1.00 0.30 C ATOM 604 CG LYS A 245 6.026 2.129 -8.324 1.00 0.89 C ATOM 605 CD LYS A 245 6.979 3.137 -7.702 1.00 1.51 C ATOM 606 CE LYS A 245 7.528 4.105 -8.740 1.00 2.00 C ATOM 607 NZ LYS A 245 6.450 4.802 -9.492 1.00 2.79 N ATOM 0 H LYS A 245 6.816 1.436 -5.082 1.00 0.18 H new ATOM 0 HA LYS A 245 4.267 2.253 -6.336 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.540 0.440 -7.111 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.967 0.322 -7.875 1.00 0.30 H new ATOM 0 HG2 LYS A 245 6.488 1.699 -9.212 1.00 0.89 H new ATOM 0 HG3 LYS A 245 5.123 2.644 -8.652 1.00 0.89 H new ATOM 0 HD2 LYS A 245 6.461 3.695 -6.922 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.804 2.610 -7.223 1.00 1.51 H new ATOM 0 HE2 LYS A 245 8.159 4.844 -8.246 1.00 2.00 H new ATOM 0 HE3 LYS A 245 8.162 3.561 -9.440 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 6.873 5.487 -10.151 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 5.894 4.105 -10.027 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 5.829 5.302 -8.825 1.00 2.79 H new ATOM 621 N TRP A 246 3.028 0.080 -5.714 1.00 0.14 N ATOM 622 CA TRP A 246 2.286 -0.900 -4.954 1.00 0.13 C ATOM 623 C TRP A 246 1.637 -1.894 -5.883 1.00 0.14 C ATOM 624 O TRP A 246 1.789 -1.812 -7.092 1.00 0.14 O ATOM 625 CB TRP A 246 1.288 -0.239 -3.984 1.00 0.14 C ATOM 626 CG TRP A 246 1.958 0.739 -3.050 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.490 1.946 -3.396 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.203 0.594 -1.636 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.052 2.550 -2.308 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.888 1.753 -1.219 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.918 -0.383 -0.677 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.289 1.958 0.094 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.320 -0.164 0.633 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.998 0.997 0.999 1.00 0.15 C ATOM 0 H TRP A 246 2.523 0.524 -6.481 1.00 0.14 H new ATOM 0 HA TRP A 246 2.982 -1.452 -4.322 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.517 0.278 -4.556 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.787 -1.011 -3.400 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.470 2.365 -4.391 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.521 3.456 -2.312 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.396 -1.288 -0.950 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.816 2.855 0.383 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.103 -0.909 1.384 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.297 1.132 2.028 1.00 0.15 H new ATOM 645 N LEU A 247 1.159 -2.966 -5.334 1.00 0.15 N ATOM 646 CA LEU A 247 0.642 -4.044 -6.137 1.00 0.14 C ATOM 647 C LEU A 247 -0.768 -4.371 -5.669 1.00 0.15 C ATOM 648 O LEU A 247 -1.003 -4.535 -4.490 1.00 0.16 O ATOM 649 CB LEU A 247 1.563 -5.266 -5.999 1.00 0.15 C ATOM 650 CG LEU A 247 2.425 -5.666 -7.208 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.784 -6.826 -7.954 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.663 -4.494 -8.144 1.00 0.17 C ATOM 0 H LEU A 247 1.113 -3.124 -4.327 1.00 0.15 H new ATOM 0 HA LEU A 247 0.607 -3.756 -7.188 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.232 -5.085 -5.158 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.943 -6.122 -5.734 1.00 0.15 H new ATOM 0 HG LEU A 247 3.397 -5.983 -6.830 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.406 -7.098 -8.807 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.691 -7.682 -7.285 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.795 -6.531 -8.305 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.276 -4.819 -8.985 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.707 -4.124 -8.514 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.177 -3.697 -7.606 1.00 0.17 H new ATOM 664 N LYS A 248 -1.670 -4.580 -6.590 1.00 0.19 N ATOM 665 CA LYS A 248 -2.979 -5.100 -6.243 1.00 0.25 C ATOM 666 C LYS A 248 -2.871 -6.608 -6.335 1.00 0.25 C ATOM 667 O LYS A 248 -1.956 -7.086 -6.986 1.00 0.21 O ATOM 668 CB LYS A 248 -4.045 -4.588 -7.218 1.00 0.34 C ATOM 669 CG LYS A 248 -5.474 -4.810 -6.751 1.00 0.77 C ATOM 670 CD LYS A 248 -6.461 -4.653 -7.895 1.00 0.95 C ATOM 671 CE LYS A 248 -7.886 -4.501 -7.392 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.141 -3.136 -6.863 1.00 2.06 N ATOM 0 H LYS A 248 -1.530 -4.401 -7.584 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.276 -4.777 -5.245 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.890 -3.522 -7.382 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.908 -5.081 -8.180 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.567 -5.808 -6.322 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.715 -4.099 -5.960 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.191 -3.782 -8.491 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.398 -5.521 -8.552 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.582 -4.713 -8.203 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.076 -5.236 -6.609 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.137 -3.055 -6.576 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.529 -2.962 -6.040 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.936 -2.433 -7.602 1.00 2.06 H new ATOM 686 N ASN A 249 -3.630 -7.352 -5.547 1.00 0.34 N ATOM 687 CA ASN A 249 -3.474 -8.803 -5.522 1.00 0.40 C ATOM 688 C ASN A 249 -3.394 -9.336 -6.956 1.00 0.35 C ATOM 689 O ASN A 249 -4.328 -9.170 -7.742 1.00 0.35 O ATOM 690 CB ASN A 249 -4.620 -9.451 -4.713 1.00 0.61 C ATOM 691 CG ASN A 249 -5.572 -10.312 -5.528 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.207 -11.379 -6.023 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.807 -9.852 -5.665 1.00 1.19 N ATOM 0 H ASN A 249 -4.350 -6.986 -4.924 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.544 -9.068 -5.020 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -4.186 -10.063 -3.922 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -5.193 -8.662 -4.227 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.494 -10.387 -6.196 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -7.070 -8.963 -5.239 1.00 1.19 H new ATOM 700 N GLY A 250 -2.175 -9.711 -7.349 1.00 0.35 N ATOM 701 CA GLY A 250 -1.891 -10.077 -8.729 1.00 0.35 C ATOM 702 C GLY A 250 -1.688 -8.887 -9.667 1.00 0.33 C ATOM 703 O GLY A 250 -0.850 -8.947 -10.565 1.00 0.39 O ATOM 0 H GLY A 250 -1.370 -9.768 -6.725 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.996 -10.699 -8.751 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.712 -10.687 -9.107 1.00 0.35 H new ATOM 707 N GLN A 251 -2.487 -7.838 -9.509 1.00 0.30 N ATOM 708 CA GLN A 251 -2.426 -6.674 -10.403 1.00 0.36 C ATOM 709 C GLN A 251 -1.333 -5.695 -9.964 1.00 0.25 C ATOM 710 O GLN A 251 -0.982 -5.636 -8.801 1.00 0.28 O ATOM 711 CB GLN A 251 -3.782 -5.964 -10.432 1.00 0.52 C ATOM 712 CG GLN A 251 -4.945 -6.878 -10.797 1.00 1.28 C ATOM 713 CD GLN A 251 -4.772 -7.532 -12.154 1.00 2.00 C ATOM 714 OE1 GLN A 251 -4.656 -6.855 -13.174 1.00 2.77 O ATOM 715 NE2 GLN A 251 -4.767 -8.856 -12.179 1.00 2.59 N ATOM 0 H GLN A 251 -3.187 -7.764 -8.771 1.00 0.30 H new ATOM 0 HA GLN A 251 -2.182 -7.029 -11.404 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.972 -5.522 -9.454 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.737 -5.144 -11.149 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -5.047 -7.652 -10.036 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -5.870 -6.302 -10.791 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -4.866 -9.383 -11.311 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -4.664 -9.349 -13.066 1.00 2.59 H new ATOM 724 N GLU A 252 -0.765 -4.943 -10.885 1.00 0.26 N ATOM 725 CA GLU A 252 0.289 -4.005 -10.514 1.00 0.25 C ATOM 726 C GLU A 252 -0.262 -2.598 -10.283 1.00 0.27 C ATOM 727 O GLU A 252 -1.159 -2.145 -10.994 1.00 0.32 O ATOM 728 CB GLU A 252 1.407 -4.020 -11.546 1.00 0.32 C ATOM 729 CG GLU A 252 2.128 -5.357 -11.578 1.00 0.60 C ATOM 730 CD GLU A 252 3.341 -5.352 -12.483 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.253 -4.529 -12.246 1.00 1.60 O ATOM 732 OE2 GLU A 252 3.386 -6.159 -13.432 1.00 1.49 O ATOM 0 H GLU A 252 -1.005 -4.957 -11.876 1.00 0.26 H new ATOM 0 HA GLU A 252 0.712 -4.330 -9.564 1.00 0.25 H new ATOM 0 HB2 GLU A 252 0.994 -3.806 -12.532 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.121 -3.228 -11.320 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.437 -5.621 -10.567 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.435 -6.129 -11.912 1.00 0.60 H new ATOM 739 N ILE A 253 0.170 -1.984 -9.185 1.00 0.23 N ATOM 740 CA ILE A 253 -0.386 -0.714 -8.739 1.00 0.27 C ATOM 741 C ILE A 253 0.631 0.437 -8.829 1.00 0.28 C ATOM 742 O ILE A 253 1.702 0.426 -8.196 1.00 0.28 O ATOM 743 CB ILE A 253 -0.949 -0.871 -7.308 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.393 -1.359 -7.360 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.842 0.402 -6.491 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.980 -1.614 -5.992 1.00 0.33 C ATOM 0 H ILE A 253 0.909 -2.350 -8.585 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.200 -0.444 -9.412 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.335 -1.616 -6.803 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -3.002 -0.619 -7.878 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.440 -2.277 -7.946 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.253 0.231 -5.496 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.205 0.693 -6.406 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.401 1.198 -6.983 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.009 -1.959 -6.096 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.392 -2.376 -5.480 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.964 -0.692 -5.411 1.00 0.33 H new ATOM 758 N GLN A 254 0.303 1.404 -9.670 1.00 0.36 N ATOM 759 CA GLN A 254 1.171 2.541 -9.920 1.00 0.43 C ATOM 760 C GLN A 254 1.053 3.585 -8.806 1.00 0.61 C ATOM 761 O GLN A 254 1.057 3.253 -7.621 1.00 1.42 O ATOM 762 CB GLN A 254 0.826 3.176 -11.274 1.00 0.70 C ATOM 763 CG GLN A 254 0.819 2.197 -12.440 1.00 1.00 C ATOM 764 CD GLN A 254 -0.562 1.640 -12.744 1.00 1.75 C ATOM 765 OE1 GLN A 254 -1.197 1.003 -11.900 1.00 2.63 O ATOM 766 NE2 GLN A 254 -1.037 1.875 -13.956 1.00 2.21 N ATOM 0 H GLN A 254 -0.570 1.422 -10.197 1.00 0.36 H new ATOM 0 HA GLN A 254 2.200 2.183 -9.940 1.00 0.43 H new ATOM 0 HB2 GLN A 254 -0.155 3.645 -11.203 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.544 3.969 -11.484 1.00 0.70 H new ATOM 0 HG2 GLN A 254 1.206 2.697 -13.328 1.00 1.00 H new ATOM 0 HG3 GLN A 254 1.496 1.372 -12.218 1.00 1.00 H new ATOM 0 HE21 GLN A 254 -0.482 2.406 -14.627 1.00 2.21 H new ATOM 0 HE22 GLN A 254 -1.958 1.525 -14.219 1.00 2.21 H new ATOM 775 N MET A 255 0.924 4.841 -9.206 1.00 0.59 N ATOM 776 CA MET A 255 0.784 5.956 -8.280 1.00 0.61 C ATOM 777 C MET A 255 0.185 7.139 -9.024 1.00 0.65 C ATOM 778 O MET A 255 0.539 7.387 -10.180 1.00 0.95 O ATOM 779 CB MET A 255 2.143 6.331 -7.670 1.00 0.95 C ATOM 780 CG MET A 255 3.237 6.549 -8.704 1.00 1.58 C ATOM 781 SD MET A 255 4.849 6.895 -7.968 1.00 2.30 S ATOM 782 CE MET A 255 4.560 8.517 -7.268 1.00 2.61 C ATOM 0 H MET A 255 0.913 5.118 -10.188 1.00 0.59 H new ATOM 0 HA MET A 255 0.124 5.668 -7.462 1.00 0.61 H new ATOM 0 HB2 MET A 255 2.028 7.239 -7.079 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.454 5.542 -6.985 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.315 5.663 -9.334 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.955 7.378 -9.353 1.00 1.58 H new ATOM 0 HE1 MET A 255 5.491 8.906 -6.855 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.199 9.190 -8.046 1.00 2.61 H new ATOM 0 HE3 MET A 255 3.814 8.444 -6.477 1.00 2.61 H new ATOM 792 N SER A 256 -0.825 7.763 -8.442 1.00 0.57 N ATOM 793 CA SER A 256 -1.565 8.791 -9.150 1.00 0.69 C ATOM 794 C SER A 256 -2.261 9.742 -8.174 1.00 1.00 C ATOM 795 O SER A 256 -1.927 9.782 -6.986 1.00 1.47 O ATOM 796 CB SER A 256 -2.590 8.120 -10.069 1.00 0.76 C ATOM 797 OG SER A 256 -3.078 9.019 -11.054 1.00 1.64 O ATOM 0 H SER A 256 -1.148 7.578 -7.492 1.00 0.57 H new ATOM 0 HA SER A 256 -0.871 9.385 -9.744 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.133 7.259 -10.556 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.423 7.745 -9.474 1.00 0.76 H new ATOM 0 HG SER A 256 -3.728 8.558 -11.624 1.00 1.64 H new ATOM 803 N GLY A 257 -3.174 10.552 -8.699 1.00 1.01 N ATOM 804 CA GLY A 257 -3.859 11.544 -7.894 1.00 1.41 C ATOM 805 C GLY A 257 -5.130 11.017 -7.263 1.00 1.28 C ATOM 806 O GLY A 257 -5.463 11.382 -6.136 1.00 1.69 O ATOM 0 H GLY A 257 -3.454 10.537 -9.680 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.188 11.894 -7.109 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.099 12.406 -8.516 1.00 1.41 H new ATOM 810 N SER A 258 -5.879 10.217 -8.008 1.00 1.07 N ATOM 811 CA SER A 258 -7.142 9.682 -7.518 1.00 0.96 C ATOM 812 C SER A 258 -6.924 8.338 -6.829 1.00 0.74 C ATOM 813 O SER A 258 -7.338 8.140 -5.690 1.00 1.14 O ATOM 814 CB SER A 258 -8.140 9.538 -8.672 1.00 1.08 C ATOM 815 OG SER A 258 -9.404 9.082 -8.212 1.00 1.77 O ATOM 0 H SER A 258 -5.635 9.924 -8.954 1.00 1.07 H new ATOM 0 HA SER A 258 -7.553 10.378 -6.787 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.259 10.498 -9.174 1.00 1.08 H new ATOM 0 HB3 SER A 258 -7.746 8.839 -9.410 1.00 1.08 H new ATOM 0 HG SER A 258 -10.092 9.299 -8.876 1.00 1.77 H new ATOM 821 N LYS A 259 -6.260 7.423 -7.519 1.00 0.51 N ATOM 822 CA LYS A 259 -5.976 6.105 -6.966 1.00 0.37 C ATOM 823 C LYS A 259 -4.485 5.976 -6.699 1.00 0.33 C ATOM 824 O LYS A 259 -3.688 6.582 -7.415 1.00 0.45 O ATOM 825 CB LYS A 259 -6.419 5.003 -7.936 1.00 0.48 C ATOM 826 CG LYS A 259 -7.814 5.198 -8.516 1.00 1.11 C ATOM 827 CD LYS A 259 -8.873 5.282 -7.430 1.00 1.59 C ATOM 828 CE LYS A 259 -10.269 5.414 -8.019 1.00 2.02 C ATOM 829 NZ LYS A 259 -10.398 6.608 -8.896 1.00 2.41 N ATOM 0 H LYS A 259 -5.907 7.568 -8.465 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.530 5.993 -6.034 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -5.703 4.948 -8.756 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.385 4.045 -7.418 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -7.834 6.109 -9.114 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.047 4.371 -9.187 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.824 4.391 -6.804 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.667 6.136 -6.785 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.506 4.517 -8.592 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.998 5.478 -7.211 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -11.404 6.794 -9.083 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -9.975 7.433 -8.424 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.906 6.433 -9.795 1.00 2.41 H new ATOM 843 N TYR A 260 -4.105 5.152 -5.712 1.00 0.24 N ATOM 844 CA TYR A 260 -2.690 4.913 -5.423 1.00 0.27 C ATOM 845 C TYR A 260 -1.970 6.232 -5.152 1.00 0.27 C ATOM 846 O TYR A 260 -1.032 6.600 -5.858 1.00 0.29 O ATOM 847 CB TYR A 260 -2.005 4.181 -6.587 1.00 0.33 C ATOM 848 CG TYR A 260 -2.894 3.200 -7.320 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.664 2.292 -6.608 1.00 0.29 C ATOM 850 CD2 TYR A 260 -2.961 3.174 -8.708 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.477 1.387 -7.254 1.00 0.52 C ATOM 852 CE2 TYR A 260 -3.773 2.272 -9.365 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.521 1.419 -8.698 1.00 0.95 C ATOM 854 OH TYR A 260 -5.349 0.480 -9.280 1.00 1.24 O ATOM 0 H TYR A 260 -4.753 4.646 -5.108 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.634 4.284 -4.535 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.637 4.920 -7.298 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.136 3.648 -6.203 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.625 2.295 -5.529 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.368 3.871 -9.282 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.065 0.673 -6.697 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -3.795 2.266 -10.445 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.317 0.575 -10.255 1.00 1.24 H new ATOM 864 N ILE A 261 -2.452 6.963 -4.170 1.00 0.26 N ATOM 865 CA ILE A 261 -1.889 8.257 -3.834 1.00 0.27 C ATOM 866 C ILE A 261 -0.677 8.085 -2.927 1.00 0.28 C ATOM 867 O ILE A 261 -0.815 7.737 -1.757 1.00 0.35 O ATOM 868 CB ILE A 261 -2.938 9.126 -3.113 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.179 9.315 -3.985 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.349 10.465 -2.721 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.309 10.031 -3.273 1.00 0.39 C ATOM 0 H ILE A 261 -3.239 6.682 -3.585 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.585 8.748 -4.759 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.239 8.607 -2.203 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.905 9.879 -4.877 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.531 8.339 -4.321 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.107 11.062 -2.214 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.503 10.308 -2.052 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.012 10.990 -3.615 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.159 10.132 -3.948 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.609 9.457 -2.396 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.974 11.020 -2.961 1.00 0.39 H new ATOM 883 N PHE A 262 0.510 8.320 -3.458 1.00 0.30 N ATOM 884 CA PHE A 262 1.720 8.166 -2.668 1.00 0.32 C ATOM 885 C PHE A 262 1.812 9.281 -1.624 1.00 0.30 C ATOM 886 O PHE A 262 1.477 10.436 -1.898 1.00 0.37 O ATOM 887 CB PHE A 262 2.963 8.131 -3.578 1.00 0.46 C ATOM 888 CG PHE A 262 3.829 9.360 -3.517 1.00 0.63 C ATOM 889 CD1 PHE A 262 4.771 9.506 -2.515 1.00 0.87 C ATOM 890 CD2 PHE A 262 3.690 10.374 -4.454 1.00 0.84 C ATOM 891 CE1 PHE A 262 5.563 10.633 -2.448 1.00 1.13 C ATOM 892 CE2 PHE A 262 4.482 11.503 -4.392 1.00 1.09 C ATOM 893 CZ PHE A 262 5.436 11.622 -3.419 1.00 1.18 C ATOM 0 H PHE A 262 0.662 8.615 -4.422 1.00 0.30 H new ATOM 0 HA PHE A 262 1.680 7.214 -2.138 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.568 7.265 -3.309 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.637 7.985 -4.608 1.00 0.46 H new ATOM 0 HD1 PHE A 262 4.888 8.728 -1.776 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.955 10.279 -5.240 1.00 0.84 H new ATOM 0 HE1 PHE A 262 6.278 10.748 -1.647 1.00 1.13 H new ATOM 0 HE2 PHE A 262 4.348 12.295 -5.114 1.00 1.09 H new ATOM 0 HZ PHE A 262 6.089 12.482 -3.404 1.00 1.18 H new ATOM 903 N GLU A 263 2.189 8.906 -0.413 1.00 0.26 N ATOM 904 CA GLU A 263 2.274 9.837 0.697 1.00 0.30 C ATOM 905 C GLU A 263 3.505 9.519 1.535 1.00 0.28 C ATOM 906 O GLU A 263 3.931 8.360 1.612 1.00 0.33 O ATOM 907 CB GLU A 263 1.011 9.756 1.556 1.00 0.37 C ATOM 908 CG GLU A 263 0.872 10.894 2.553 1.00 0.56 C ATOM 909 CD GLU A 263 0.848 12.250 1.877 1.00 1.07 C ATOM 910 OE1 GLU A 263 1.903 12.688 1.369 1.00 1.73 O ATOM 911 OE2 GLU A 263 -0.232 12.874 1.829 1.00 1.79 O ATOM 0 H GLU A 263 2.444 7.948 -0.173 1.00 0.26 H new ATOM 0 HA GLU A 263 2.359 10.851 0.307 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.139 9.750 0.903 1.00 0.37 H new ATOM 0 HB3 GLU A 263 1.011 8.810 2.097 1.00 0.37 H new ATOM 0 HG2 GLU A 263 -0.044 10.761 3.128 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.700 10.858 3.261 1.00 0.56 H new ATOM 918 N SER A 264 4.142 10.559 2.048 1.00 0.34 N ATOM 919 CA SER A 264 5.400 10.406 2.758 1.00 0.36 C ATOM 920 C SER A 264 5.292 10.911 4.189 1.00 0.34 C ATOM 921 O SER A 264 4.934 12.067 4.420 1.00 0.39 O ATOM 922 CB SER A 264 6.485 11.189 2.025 1.00 0.46 C ATOM 923 OG SER A 264 6.301 11.106 0.622 1.00 1.41 O ATOM 0 H SER A 264 3.807 11.520 1.985 1.00 0.34 H new ATOM 0 HA SER A 264 5.652 9.346 2.790 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.462 12.233 2.339 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.467 10.797 2.292 1.00 0.46 H new ATOM 0 HG SER A 264 7.005 11.615 0.169 1.00 1.41 H new ATOM 929 N ILE A 265 5.700 10.079 5.136 1.00 0.31 N ATOM 930 CA ILE A 265 5.758 10.483 6.532 1.00 0.34 C ATOM 931 C ILE A 265 7.116 10.096 7.108 1.00 0.38 C ATOM 932 O ILE A 265 7.341 8.945 7.494 1.00 0.42 O ATOM 933 CB ILE A 265 4.631 9.825 7.364 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.258 10.147 6.759 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.694 10.292 8.811 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.105 9.438 7.440 1.00 1.31 C ATOM 0 H ILE A 265 5.996 9.119 4.962 1.00 0.31 H new ATOM 0 HA ILE A 265 5.620 11.563 6.582 1.00 0.34 H new ATOM 0 HB ILE A 265 4.775 8.745 7.342 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.092 11.223 6.812 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.265 9.877 5.703 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.894 9.819 9.381 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.657 10.017 9.240 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.576 11.375 8.849 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.169 9.717 6.956 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.245 8.360 7.365 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.070 9.727 8.490 1.00 1.31 H new ATOM 948 N GLY A 266 8.053 11.033 7.048 1.00 0.48 N ATOM 949 CA GLY A 266 9.416 10.744 7.441 1.00 0.65 C ATOM 950 C GLY A 266 10.004 9.635 6.595 1.00 0.86 C ATOM 951 O GLY A 266 9.926 9.673 5.366 1.00 1.93 O ATOM 0 H GLY A 266 7.892 11.990 6.733 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.025 11.643 7.342 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.441 10.456 8.492 1.00 0.65 H new ATOM 955 N ALA A 267 10.492 8.598 7.254 1.00 0.48 N ATOM 956 CA ALA A 267 10.966 7.409 6.564 1.00 0.39 C ATOM 957 C ALA A 267 9.792 6.572 6.080 1.00 0.30 C ATOM 958 O ALA A 267 9.939 5.730 5.195 1.00 0.32 O ATOM 959 CB ALA A 267 11.837 6.572 7.479 1.00 0.44 C ATOM 0 H ALA A 267 10.571 8.555 8.270 1.00 0.48 H new ATOM 0 HA ALA A 267 11.556 7.731 5.706 1.00 0.39 H new ATOM 0 HB1 ALA A 267 12.182 5.687 6.944 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.697 7.160 7.800 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.260 6.267 8.352 1.00 0.44 H new ATOM 965 N LYS A 268 8.665 6.717 6.757 1.00 0.26 N ATOM 966 CA LYS A 268 7.498 5.905 6.477 1.00 0.25 C ATOM 967 C LYS A 268 6.784 6.387 5.222 1.00 0.29 C ATOM 968 O LYS A 268 6.552 7.584 5.035 1.00 0.47 O ATOM 969 CB LYS A 268 6.558 5.905 7.684 1.00 0.28 C ATOM 970 CG LYS A 268 7.196 5.306 8.929 1.00 0.30 C ATOM 971 CD LYS A 268 6.274 5.389 10.136 1.00 0.41 C ATOM 972 CE LYS A 268 6.908 4.758 11.370 1.00 1.20 C ATOM 973 NZ LYS A 268 8.172 5.439 11.765 1.00 2.00 N ATOM 0 H LYS A 268 8.536 7.395 7.508 1.00 0.26 H new ATOM 0 HA LYS A 268 7.823 4.881 6.293 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.248 6.928 7.897 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.657 5.343 7.437 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.453 4.264 8.739 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.127 5.829 9.147 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.036 6.433 10.342 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.334 4.886 9.912 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.202 4.797 12.199 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.111 3.705 11.174 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 8.972 4.787 11.638 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 8.314 6.280 11.170 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.114 5.726 12.763 1.00 2.00 H new ATOM 987 N ARG A 269 6.432 5.445 4.366 1.00 0.16 N ATOM 988 CA ARG A 269 5.719 5.760 3.146 1.00 0.16 C ATOM 989 C ARG A 269 4.293 5.251 3.227 1.00 0.18 C ATOM 990 O ARG A 269 3.987 4.349 4.007 1.00 0.17 O ATOM 991 CB ARG A 269 6.427 5.185 1.915 1.00 0.20 C ATOM 992 CG ARG A 269 6.656 6.212 0.817 1.00 0.53 C ATOM 993 CD ARG A 269 7.580 7.328 1.277 1.00 0.79 C ATOM 994 NE ARG A 269 8.032 8.158 0.163 1.00 0.69 N ATOM 995 CZ ARG A 269 8.839 9.209 0.296 1.00 0.97 C ATOM 996 NH1 ARG A 269 9.303 9.553 1.489 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.203 9.904 -0.772 1.00 1.17 N ATOM 0 H ARG A 269 6.630 4.453 4.496 1.00 0.16 H new ATOM 0 HA ARG A 269 5.702 6.844 3.038 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.387 4.768 2.219 1.00 0.20 H new ATOM 0 HB3 ARG A 269 5.834 4.362 1.515 1.00 0.20 H new ATOM 0 HG2 ARG A 269 7.084 5.721 -0.057 1.00 0.53 H new ATOM 0 HG3 ARG A 269 5.700 6.635 0.508 1.00 0.53 H new ATOM 0 HD2 ARG A 269 7.061 7.951 2.006 1.00 0.79 H new ATOM 0 HD3 ARG A 269 8.444 6.898 1.783 1.00 0.79 H new ATOM 0 HE ARG A 269 7.710 7.918 -0.774 1.00 0.69 H new ATOM 0 HH11 ARG A 269 9.042 9.011 2.313 1.00 1.85 H new ATOM 0 HH12 ARG A 269 9.921 10.359 1.583 1.00 1.85 H new ATOM 0 HH21 ARG A 269 8.865 9.634 -1.696 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.821 10.709 -0.670 1.00 1.17 H new ATOM 1011 N THR A 270 3.396 5.937 2.553 1.00 0.18 N ATOM 1012 CA THR A 270 1.992 5.593 2.610 1.00 0.18 C ATOM 1013 C THR A 270 1.366 5.616 1.226 1.00 0.19 C ATOM 1014 O THR A 270 1.576 6.550 0.460 1.00 0.22 O ATOM 1015 CB THR A 270 1.235 6.564 3.538 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.732 6.443 4.878 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.260 6.297 3.521 1.00 0.24 C ATOM 0 H THR A 270 3.614 6.737 1.959 1.00 0.18 H new ATOM 0 HA THR A 270 1.915 4.582 3.009 1.00 0.18 H new ATOM 0 HB THR A 270 1.402 7.577 3.172 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.249 7.063 5.463 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.763 6.999 4.186 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.640 6.422 2.507 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.451 5.278 3.858 1.00 0.24 H new ATOM 1025 N LEU A 271 0.565 4.607 0.925 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.173 4.591 -0.325 1.00 0.17 C ATOM 1027 C LEU A 271 -1.646 4.874 -0.047 1.00 0.16 C ATOM 1028 O LEU A 271 -2.387 3.983 0.344 1.00 0.17 O ATOM 1029 CB LEU A 271 -0.015 3.232 -1.016 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.424 3.165 -2.494 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.929 2.994 -2.650 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.062 4.403 -3.235 1.00 0.49 C ATOM 0 H LEU A 271 0.411 3.796 1.524 1.00 0.17 H new ATOM 0 HA LEU A 271 0.222 5.362 -0.987 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.029 2.928 -0.936 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.604 2.498 -0.465 1.00 0.20 H new ATOM 0 HG LEU A 271 0.050 2.288 -2.934 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.182 2.950 -3.709 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.243 2.070 -2.164 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.441 3.839 -2.189 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.236 4.341 -4.282 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.378 5.293 -2.785 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.148 4.463 -3.170 1.00 0.49 H new ATOM 1044 N THR A 272 -2.075 6.097 -0.271 1.00 0.18 N ATOM 1045 CA THR A 272 -3.463 6.453 -0.051 1.00 0.21 C ATOM 1046 C THR A 272 -4.318 5.999 -1.230 1.00 0.22 C ATOM 1047 O THR A 272 -4.258 6.562 -2.319 1.00 0.29 O ATOM 1048 CB THR A 272 -3.629 7.972 0.161 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.650 8.446 1.098 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.020 8.294 0.685 1.00 0.30 C ATOM 0 H THR A 272 -1.486 6.860 -0.604 1.00 0.18 H new ATOM 0 HA THR A 272 -3.796 5.945 0.854 1.00 0.21 H new ATOM 0 HB THR A 272 -3.489 8.467 -0.800 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.539 9.414 0.994 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.115 9.370 0.827 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.767 7.956 -0.033 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.177 7.787 1.637 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.097 4.966 -1.014 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.959 4.448 -2.052 1.00 0.26 C ATOM 1060 C ILE A 273 -7.388 4.942 -1.828 1.00 0.28 C ATOM 1061 O ILE A 273 -7.936 4.861 -0.713 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.878 2.893 -2.135 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.697 2.444 -3.592 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.095 2.211 -1.525 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.850 2.806 -4.507 1.00 0.86 C ATOM 0 H ILE A 273 -5.152 4.466 -0.127 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.618 4.823 -3.017 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.010 2.589 -1.549 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.783 2.889 -3.986 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.559 1.363 -3.612 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.987 1.130 -1.610 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.177 2.486 -0.474 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.993 2.528 -2.055 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.639 2.452 -5.516 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.765 2.339 -4.142 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.977 3.889 -4.522 1.00 0.86 H new ATOM 1077 N SER A 274 -7.929 5.575 -2.858 1.00 0.33 N ATOM 1078 CA SER A 274 -9.248 6.163 -2.792 1.00 0.39 C ATOM 1079 C SER A 274 -10.232 5.323 -3.589 1.00 0.45 C ATOM 1080 O SER A 274 -9.842 4.710 -4.581 1.00 0.50 O ATOM 1081 CB SER A 274 -9.212 7.588 -3.338 1.00 0.52 C ATOM 1082 OG SER A 274 -8.188 8.345 -2.716 1.00 1.13 O ATOM 0 H SER A 274 -7.464 5.693 -3.758 1.00 0.33 H new ATOM 0 HA SER A 274 -9.571 6.192 -1.752 1.00 0.39 H new ATOM 0 HB2 SER A 274 -9.048 7.564 -4.415 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.176 8.069 -3.173 1.00 0.52 H new ATOM 0 HG SER A 274 -8.184 9.253 -3.083 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.491 5.288 -3.146 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.526 4.510 -3.823 1.00 0.62 C ATOM 1090 C GLN A 275 -12.101 3.049 -3.904 1.00 0.62 C ATOM 1091 O GLN A 275 -11.629 2.580 -4.940 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.808 5.085 -5.215 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.227 6.547 -5.179 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.484 7.124 -6.555 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.319 6.622 -7.305 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -12.763 8.177 -6.902 1.00 2.27 N ATOM 0 H GLN A 275 -11.817 5.791 -2.320 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.451 4.569 -3.249 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.915 4.983 -5.832 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.594 4.499 -5.692 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.129 6.646 -4.576 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.449 7.130 -4.686 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -12.080 8.564 -6.251 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -12.890 8.602 -7.821 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.153 2.377 -2.763 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.627 1.033 -2.637 1.00 0.69 C ATOM 1107 C CYS A 276 -12.310 0.368 -1.460 1.00 0.75 C ATOM 1108 O CYS A 276 -11.674 -0.052 -0.496 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.109 1.108 -2.432 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.269 -0.483 -2.264 1.00 2.00 S ATOM 0 H CYS A 276 -12.560 2.749 -1.905 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.819 0.447 -3.536 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.672 1.643 -3.275 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.909 1.701 -1.540 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.862 -1.192 -1.350 1.00 2.00 H new ATOM 1116 N SER A 277 -13.624 0.493 -1.458 1.00 0.54 N ATOM 1117 CA SER A 277 -14.421 0.097 -0.324 1.00 0.52 C ATOM 1118 C SER A 277 -14.744 -1.401 -0.363 1.00 0.48 C ATOM 1119 O SER A 277 -13.865 -2.227 -0.621 1.00 0.47 O ATOM 1120 CB SER A 277 -15.706 0.926 -0.295 1.00 0.56 C ATOM 1121 OG SER A 277 -16.440 0.779 -1.501 1.00 0.63 O ATOM 0 H SER A 277 -14.161 0.870 -2.239 1.00 0.54 H new ATOM 0 HA SER A 277 -13.850 0.281 0.586 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.323 0.616 0.549 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.460 1.977 -0.142 1.00 0.56 H new ATOM 0 HG SER A 277 -17.257 1.318 -1.454 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.011 -1.743 -0.106 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.464 -3.132 -0.063 1.00 0.54 C ATOM 1129 C LEU A 278 -16.533 -3.762 -1.455 1.00 0.58 C ATOM 1130 O LEU A 278 -17.538 -4.376 -1.818 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.846 -3.212 0.595 1.00 0.63 C ATOM 1132 CG LEU A 278 -17.896 -3.894 1.963 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.394 -5.326 1.863 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.091 -3.107 2.984 1.00 0.79 C ATOM 0 H LEU A 278 -16.749 -1.063 0.078 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.733 -3.690 0.522 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.236 -2.200 0.701 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.518 -3.743 -0.079 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.933 -3.920 2.298 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.437 -5.796 2.846 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.021 -5.883 1.167 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.364 -5.326 1.505 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.139 -3.609 3.950 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.052 -3.045 2.659 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.503 -2.102 3.076 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.456 -3.646 -2.212 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.390 -4.223 -3.544 1.00 0.61 C ATOM 1148 C ALA A 279 -13.951 -4.544 -3.911 1.00 0.58 C ATOM 1149 O ALA A 279 -13.664 -5.602 -4.467 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.010 -3.281 -4.567 1.00 0.71 C ATOM 0 H ALA A 279 -14.610 -3.154 -1.925 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.961 -5.152 -3.548 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.951 -3.731 -5.558 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.054 -3.102 -4.311 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.469 -2.335 -4.565 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.042 -3.640 -3.572 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.624 -3.849 -3.846 1.00 0.59 C ATOM 1158 C ASP A 280 -10.963 -4.659 -2.737 1.00 0.50 C ATOM 1159 O ASP A 280 -9.759 -4.917 -2.779 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.905 -2.518 -4.033 1.00 0.70 C ATOM 1161 CG ASP A 280 -11.083 -1.955 -5.428 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.660 -2.617 -6.397 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -11.646 -0.850 -5.569 1.00 1.84 O ATOM 0 H ASP A 280 -13.258 -2.758 -3.108 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.546 -4.416 -4.773 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.281 -1.800 -3.304 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.842 -2.651 -3.831 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.787 -5.121 -1.798 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.353 -6.021 -0.729 1.00 0.33 C ATOM 1170 C ASP A 281 -10.637 -7.233 -1.316 1.00 0.34 C ATOM 1171 O ASP A 281 -11.218 -7.983 -2.104 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.578 -6.471 0.080 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.294 -7.640 1.009 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.550 -7.471 1.991 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.833 -8.738 0.769 1.00 0.81 O ATOM 0 H ASP A 281 -12.778 -4.881 -1.756 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.658 -5.495 -0.074 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.944 -5.630 0.669 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.376 -6.750 -0.608 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.354 -7.361 -0.997 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.502 -8.405 -1.568 1.00 0.37 C ATOM 1182 C ALA A 282 -7.126 -8.373 -0.915 1.00 0.35 C ATOM 1183 O ALA A 282 -7.000 -8.651 0.273 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.379 -8.232 -3.079 1.00 0.48 C ATOM 0 H ALA A 282 -8.874 -6.748 -0.338 1.00 0.31 H new ATOM 0 HA ALA A 282 -8.961 -9.374 -1.372 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.742 -9.018 -3.485 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.367 -8.295 -3.534 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -7.940 -7.259 -3.299 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.110 -7.961 -1.673 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.768 -7.773 -1.132 1.00 0.17 C ATOM 1192 C ALA A 283 -4.039 -6.687 -1.912 1.00 0.15 C ATOM 1193 O ALA A 283 -4.140 -6.643 -3.133 1.00 0.19 O ATOM 1194 CB ALA A 283 -3.978 -9.072 -1.174 1.00 0.22 C ATOM 0 H ALA A 283 -6.194 -7.751 -2.668 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.858 -7.464 -0.090 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -2.981 -8.905 -0.765 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.491 -9.829 -0.581 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -3.894 -9.414 -2.206 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.250 -5.863 -1.229 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.404 -4.882 -1.915 1.00 0.13 C ATOM 1202 C TYR A 284 -0.945 -5.063 -1.476 1.00 0.14 C ATOM 1203 O TYR A 284 -0.571 -4.735 -0.350 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.853 -3.414 -1.678 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.070 -2.953 -2.483 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.029 -3.860 -2.905 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.257 -1.600 -2.827 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.128 -3.459 -3.637 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.360 -1.200 -3.557 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.289 -2.131 -3.958 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.385 -1.734 -4.683 1.00 0.41 O ATOM 0 H TYR A 284 -3.176 -5.851 -0.212 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.504 -5.068 -2.984 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.073 -3.288 -0.618 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.016 -2.756 -1.911 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.914 -4.904 -2.655 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.529 -0.866 -2.516 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.860 -4.186 -3.957 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.492 -0.159 -3.812 1.00 0.32 H new ATOM 0 HH TYR A 284 -8.048 -1.334 -4.082 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.115 -5.552 -2.385 1.00 0.13 N ATOM 1222 CA GLN A 285 1.297 -5.730 -2.129 1.00 0.13 C ATOM 1223 C GLN A 285 2.034 -4.399 -2.270 1.00 0.12 C ATOM 1224 O GLN A 285 1.482 -3.428 -2.776 1.00 0.13 O ATOM 1225 CB GLN A 285 1.902 -6.759 -3.089 1.00 0.12 C ATOM 1226 CG GLN A 285 1.227 -8.123 -3.069 1.00 0.15 C ATOM 1227 CD GLN A 285 0.022 -8.225 -3.982 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.122 -7.284 -4.897 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.761 -9.167 -3.880 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.407 -5.835 -3.320 1.00 0.13 H new ATOM 0 HA GLN A 285 1.410 -6.097 -1.109 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.856 -6.361 -4.103 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.957 -6.887 -2.845 1.00 0.12 H new ATOM 0 HG2 GLN A 285 1.954 -8.882 -3.358 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.918 -8.350 -2.049 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.616 -9.875 -3.160 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.555 -9.241 -4.515 1.00 0.18 H new ATOM 1238 N CYS A 286 3.266 -4.355 -1.790 1.00 0.14 N ATOM 1239 CA CYS A 286 4.071 -3.136 -1.849 1.00 0.19 C ATOM 1240 C CYS A 286 5.340 -3.378 -2.599 1.00 0.19 C ATOM 1241 O CYS A 286 5.846 -4.487 -2.573 1.00 0.20 O ATOM 1242 CB CYS A 286 4.419 -2.671 -0.473 1.00 0.28 C ATOM 1243 SG CYS A 286 5.387 -3.851 0.491 1.00 1.00 S ATOM 0 H CYS A 286 3.735 -5.149 -1.354 1.00 0.14 H new ATOM 0 HA CYS A 286 3.480 -2.376 -2.360 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.977 -1.738 -0.548 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.498 -2.449 0.066 1.00 0.28 H new ATOM 0 HG CYS A 286 6.566 -3.356 0.725 1.00 1.00 H new ATOM 1249 N VAL A 287 5.722 -2.432 -3.436 1.00 0.20 N ATOM 1250 CA VAL A 287 6.760 -2.706 -4.398 1.00 0.21 C ATOM 1251 C VAL A 287 7.671 -1.496 -4.640 1.00 0.22 C ATOM 1252 O VAL A 287 7.228 -0.357 -4.791 1.00 0.24 O ATOM 1253 CB VAL A 287 6.116 -3.236 -5.712 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.630 -3.526 -5.476 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.302 -2.285 -6.888 1.00 0.27 C ATOM 0 H VAL A 287 5.336 -1.488 -3.467 1.00 0.20 H new ATOM 0 HA VAL A 287 7.413 -3.479 -3.993 1.00 0.21 H new ATOM 0 HB VAL A 287 6.632 -4.158 -5.981 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.181 -3.897 -6.397 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.526 -4.277 -4.693 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.125 -2.610 -5.169 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.832 -2.708 -7.776 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.841 -1.325 -6.656 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.366 -2.141 -7.075 1.00 0.27 H new ATOM 1265 N VAL A 288 8.962 -1.755 -4.649 1.00 0.24 N ATOM 1266 CA VAL A 288 9.946 -0.721 -4.905 1.00 0.26 C ATOM 1267 C VAL A 288 11.015 -1.276 -5.830 1.00 0.33 C ATOM 1268 O VAL A 288 11.686 -2.256 -5.496 1.00 0.37 O ATOM 1269 CB VAL A 288 10.593 -0.193 -3.599 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.836 0.625 -3.896 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.608 0.654 -2.813 1.00 0.36 C ATOM 0 H VAL A 288 9.358 -2.680 -4.481 1.00 0.24 H new ATOM 0 HA VAL A 288 9.440 0.123 -5.374 1.00 0.26 H new ATOM 0 HB VAL A 288 10.876 -1.060 -3.002 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.268 0.982 -2.961 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.564 0.004 -4.419 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.570 1.477 -4.522 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.084 1.013 -1.901 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.295 1.505 -3.419 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.736 0.053 -2.555 1.00 0.36 H new ATOM 1281 N GLY A 289 11.059 -0.747 -7.043 1.00 0.43 N ATOM 1282 CA GLY A 289 11.947 -1.273 -8.063 1.00 0.57 C ATOM 1283 C GLY A 289 11.390 -2.520 -8.731 1.00 0.73 C ATOM 1284 O GLY A 289 11.429 -2.648 -9.954 1.00 1.51 O ATOM 0 H GLY A 289 10.490 0.045 -7.343 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.122 -0.507 -8.818 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.913 -1.505 -7.615 1.00 0.57 H new ATOM 1288 N GLY A 290 10.893 -3.446 -7.926 1.00 0.41 N ATOM 1289 CA GLY A 290 10.358 -4.694 -8.441 1.00 0.41 C ATOM 1290 C GLY A 290 9.858 -5.597 -7.329 1.00 0.37 C ATOM 1291 O GLY A 290 8.892 -6.343 -7.506 1.00 0.64 O ATOM 0 H GLY A 290 10.850 -3.355 -6.911 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.541 -4.482 -9.131 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.130 -5.212 -9.010 1.00 0.41 H new ATOM 1295 N GLU A 291 10.529 -5.524 -6.184 1.00 0.27 N ATOM 1296 CA GLU A 291 10.175 -6.315 -5.012 1.00 0.22 C ATOM 1297 C GLU A 291 8.769 -5.986 -4.532 1.00 0.16 C ATOM 1298 O GLU A 291 8.486 -4.835 -4.232 1.00 0.19 O ATOM 1299 CB GLU A 291 11.166 -6.018 -3.884 1.00 0.26 C ATOM 1300 CG GLU A 291 12.368 -6.942 -3.863 1.00 0.53 C ATOM 1301 CD GLU A 291 11.988 -8.380 -3.579 1.00 1.48 C ATOM 1302 OE1 GLU A 291 11.445 -9.050 -4.482 1.00 2.11 O ATOM 1303 OE2 GLU A 291 12.212 -8.842 -2.439 1.00 2.19 O ATOM 0 H GLU A 291 11.334 -4.914 -6.043 1.00 0.27 H new ATOM 0 HA GLU A 291 10.212 -7.369 -5.287 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.513 -4.989 -3.980 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.647 -6.092 -2.929 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.881 -6.888 -4.823 1.00 0.53 H new ATOM 0 HG3 GLU A 291 13.073 -6.599 -3.105 1.00 0.53 H new ATOM 1310 N LYS A 292 7.918 -7.001 -4.396 1.00 0.18 N ATOM 1311 CA LYS A 292 6.568 -6.797 -3.886 1.00 0.16 C ATOM 1312 C LYS A 292 6.288 -7.661 -2.653 1.00 0.17 C ATOM 1313 O LYS A 292 6.653 -8.834 -2.594 1.00 0.29 O ATOM 1314 CB LYS A 292 5.531 -7.046 -4.972 1.00 0.18 C ATOM 1315 CG LYS A 292 5.490 -8.459 -5.501 1.00 0.23 C ATOM 1316 CD LYS A 292 4.539 -8.533 -6.671 1.00 0.29 C ATOM 1317 CE LYS A 292 4.257 -9.967 -7.087 1.00 0.49 C ATOM 1318 NZ LYS A 292 5.504 -10.713 -7.401 1.00 1.33 N ATOM 0 H LYS A 292 8.140 -7.968 -4.631 1.00 0.18 H new ATOM 0 HA LYS A 292 6.493 -5.755 -3.576 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.547 -6.792 -4.579 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.727 -6.368 -5.803 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.488 -8.772 -5.810 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.170 -9.143 -4.715 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.602 -8.041 -6.408 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.960 -7.987 -7.515 1.00 0.29 H new ATOM 0 HE2 LYS A 292 3.721 -10.478 -6.287 1.00 0.49 H new ATOM 0 HE3 LYS A 292 3.604 -9.969 -7.960 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 5.262 -11.625 -7.839 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.086 -10.156 -8.059 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 6.038 -10.881 -6.525 1.00 1.33 H new ATOM 1332 N CYS A 293 5.659 -7.041 -1.663 1.00 0.16 N ATOM 1333 CA CYS A 293 5.301 -7.700 -0.410 1.00 0.18 C ATOM 1334 C CYS A 293 3.809 -7.643 -0.225 1.00 0.15 C ATOM 1335 O CYS A 293 3.219 -6.564 -0.296 1.00 0.14 O ATOM 1336 CB CYS A 293 5.978 -7.019 0.773 1.00 0.28 C ATOM 1337 SG CYS A 293 7.654 -7.578 1.074 1.00 1.55 S ATOM 0 H CYS A 293 5.380 -6.061 -1.705 1.00 0.16 H new ATOM 0 HA CYS A 293 5.636 -8.736 -0.456 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.990 -5.943 0.601 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.382 -7.192 1.669 1.00 0.28 H new ATOM 0 HG CYS A 293 8.147 -6.942 2.095 1.00 1.55 H new ATOM 1343 N SER A 294 3.191 -8.793 -0.080 1.00 0.17 N ATOM 1344 CA SER A 294 1.750 -8.867 -0.055 1.00 0.18 C ATOM 1345 C SER A 294 1.175 -8.493 1.299 1.00 0.17 C ATOM 1346 O SER A 294 1.666 -8.908 2.345 1.00 0.20 O ATOM 1347 CB SER A 294 1.303 -10.273 -0.458 1.00 0.27 C ATOM 1348 OG SER A 294 1.998 -11.256 0.287 1.00 0.61 O ATOM 0 H SER A 294 3.665 -9.690 0.022 1.00 0.17 H new ATOM 0 HA SER A 294 1.367 -8.139 -0.770 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.230 -10.379 -0.296 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.481 -10.424 -1.523 1.00 0.27 H new ATOM 0 HG SER A 294 1.696 -12.147 0.015 1.00 0.61 H new ATOM 1354 N THR A 295 0.069 -7.779 1.245 1.00 0.17 N ATOM 1355 CA THR A 295 -0.691 -7.452 2.428 1.00 0.15 C ATOM 1356 C THR A 295 -2.164 -7.517 2.064 1.00 0.15 C ATOM 1357 O THR A 295 -2.545 -7.109 0.964 1.00 0.15 O ATOM 1358 CB THR A 295 -0.316 -6.053 2.988 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.357 -6.081 4.411 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.255 -4.958 2.496 1.00 0.20 C ATOM 0 H THR A 295 -0.326 -7.411 0.379 1.00 0.17 H new ATOM 0 HA THR A 295 -0.462 -8.167 3.219 1.00 0.15 H new ATOM 0 HB THR A 295 0.688 -5.824 2.630 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.527 -5.178 4.751 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.949 -4.000 2.917 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.215 -4.906 1.408 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.274 -5.184 2.811 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.950 -8.203 2.871 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.333 -8.432 2.515 1.00 0.15 C ATOM 1370 C GLU A 296 -5.150 -7.182 2.786 1.00 0.14 C ATOM 1371 O GLU A 296 -4.935 -6.485 3.775 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.887 -9.633 3.265 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.952 -10.824 3.218 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.566 -12.075 3.800 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.521 -12.611 3.202 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -4.091 -12.530 4.860 1.00 0.76 O ATOM 0 H GLU A 296 -2.660 -8.605 3.762 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.395 -8.655 1.450 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.068 -9.357 4.304 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.850 -9.913 2.837 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.664 -11.013 2.184 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.039 -10.585 3.764 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.011 -6.850 1.850 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.805 -5.651 1.948 1.00 0.15 C ATOM 1385 C LEU A 297 -8.229 -5.987 2.343 1.00 0.15 C ATOM 1386 O LEU A 297 -9.024 -6.432 1.514 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.793 -4.892 0.623 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.521 -3.555 0.663 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.008 -2.733 1.831 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.331 -2.806 -0.641 1.00 0.29 C ATOM 0 H LEU A 297 -6.178 -7.400 1.007 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.370 -5.015 2.719 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.759 -4.721 0.324 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.247 -5.518 -0.145 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.588 -3.734 0.796 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.529 -1.776 1.859 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.187 -3.272 2.762 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.938 -2.560 1.712 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.858 -1.853 -0.594 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.269 -2.625 -0.805 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.729 -3.400 -1.463 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.550 -5.671 3.584 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.893 -5.811 4.116 1.00 0.19 C ATOM 1404 C PHE A 298 -10.542 -4.440 4.167 1.00 0.19 C ATOM 1405 O PHE A 298 -9.848 -3.439 4.289 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.865 -6.417 5.522 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.436 -7.859 5.576 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.169 -8.244 5.166 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.306 -8.829 6.045 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.782 -9.568 5.223 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.923 -10.154 6.103 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.659 -10.524 5.692 1.00 0.45 C ATOM 0 H PHE A 298 -7.878 -5.306 4.259 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.463 -6.478 3.470 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.191 -5.828 6.144 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.859 -6.331 5.960 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.477 -7.500 4.798 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.296 -8.545 6.369 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.792 -9.855 4.900 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.612 -10.900 6.470 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.357 -11.560 5.737 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.849 -4.369 4.026 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.521 -3.085 4.081 1.00 0.28 C ATOM 1424 C VAL A 299 -13.647 -3.094 5.109 1.00 0.32 C ATOM 1425 O VAL A 299 -14.477 -4.008 5.146 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.058 -2.656 2.701 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -13.919 -3.738 2.091 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.827 -1.350 2.807 1.00 0.35 C ATOM 0 H VAL A 299 -12.461 -5.171 3.875 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.776 -2.352 4.390 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.204 -2.498 2.042 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.284 -3.408 1.118 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.329 -4.646 1.968 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.766 -3.942 2.746 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.197 -1.065 1.822 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.668 -1.477 3.488 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.168 -0.569 3.187 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.672 -2.054 5.929 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.704 -1.879 6.927 1.00 0.41 C ATOM 1440 C LYS A 300 -15.798 -0.975 6.386 1.00 0.40 C ATOM 1441 O LYS A 300 -15.517 0.118 5.872 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.116 -1.272 8.203 1.00 0.48 C ATOM 1443 CG LYS A 300 -15.138 -1.049 9.308 1.00 1.17 C ATOM 1444 CD LYS A 300 -15.798 -2.349 9.738 1.00 1.72 C ATOM 1445 CE LYS A 300 -16.965 -2.097 10.674 1.00 2.32 C ATOM 1446 NZ LYS A 300 -18.108 -1.446 9.980 1.00 3.03 N ATOM 0 H LYS A 300 -12.975 -1.310 5.917 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.127 -2.855 7.165 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.329 -1.928 8.576 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.647 -0.319 7.958 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -14.650 -0.588 10.167 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.901 -0.351 8.962 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -16.146 -2.890 8.858 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -15.064 -2.985 10.233 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -17.294 -3.042 11.105 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -16.637 -1.467 11.501 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -18.849 -1.216 10.672 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -17.782 -0.573 9.518 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -18.493 -2.094 9.263 1.00 3.03 H new ATOM 1460 N GLU A 301 -17.035 -1.431 6.517 1.00 0.50 N ATOM 1461 CA GLU A 301 -18.188 -0.660 6.084 1.00 0.57 C ATOM 1462 C GLU A 301 -18.338 0.598 6.930 1.00 0.65 C ATOM 1463 O GLU A 301 -18.035 0.541 8.145 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.467 -1.491 6.188 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.559 -2.610 5.168 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.853 -3.388 5.270 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.935 -2.773 5.142 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.794 -4.617 5.472 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.777 1.629 6.385 1.00 1.20 O ATOM 0 H GLU A 301 -17.265 -2.338 6.923 1.00 0.50 H new ATOM 0 HA GLU A 301 -18.028 -0.379 5.043 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.530 -1.919 7.189 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.327 -0.832 6.068 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.470 -2.191 4.166 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.719 -3.291 5.305 1.00 0.66 H new