USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 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 59:sc= -2.64! USER MOD Set 1.2: A 284 TYR OH : rot 141:sc= 0.0309 USER MOD Set 2.1: A 234 THR OG1 : rot 180:sc= 0.749 USER MOD Set 2.2: A 270 THR OG1 : rot -98:sc= 0.832 USER MOD Set 3.1: A 230 LYS NZ :NH3+ -117:sc= 1.18 (180deg=-0.672) USER MOD Set 3.2: A 274 SER OG : rot 115:sc= 1.83 USER MOD Single : A 216 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 217 LYS NZ :NH3+ 146:sc= -0.0581 (180deg=-1.55!) USER MOD Single : A 218 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.07) USER MOD Single : A 223 TYR OH : rot -127:sc= -3.59! USER MOD Single : A 224 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -0.081 X(o=-0.081,f=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= -0.122 F(o=-2.5,f=-0.12) USER MOD Single : A 245 LYS NZ :NH3+ -135:sc= 0.665 (180deg=-1.45!) USER MOD Single : A 248 LYS NZ :NH3+ -111:sc= 1.2 (180deg=-0.192) USER MOD Single : A 249 ASN :FLIP amide:sc= -0.735 F(o=-2.4!,f=-0.74) USER MOD Single : A 251 GLN : amide:sc= 0.322 K(o=0.32,f=-7.1!) 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 2:sc= 0.522 USER MOD Single : A 258 SER OG : rot 180:sc= 0.139 USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= -0.147 USER MOD Single : A 268 LYS NZ :NH3+ -157:sc= 1.05 (180deg=0.453) USER MOD Single : A 272 THR OG1 : rot 160:sc= -0.172 USER MOD Single : A 275 GLN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 277 SER OG : rot 180:sc= 0.029 USER MOD Single : A 285 GLN :FLIP amide:sc= -7.04! C(o=-14!,f=-7!) USER MOD Single : A 286 CYS SG : rot 129:sc= -4.24! USER MOD Single : A 292 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.149) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 40:sc= 0.0159 USER MOD Single : A 295 THR OG1 : rot -154:sc= -2.35! USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.883 -2.571 -0.533 1.00 0.50 N ATOM 98 CA ALA A 214 12.577 -1.535 0.196 1.00 0.39 C ATOM 99 C ALA A 214 11.718 -0.996 1.334 1.00 0.25 C ATOM 100 O ALA A 214 11.929 0.121 1.802 1.00 0.27 O ATOM 101 CB ALA A 214 12.959 -0.411 -0.739 1.00 0.48 C ATOM 0 HA ALA A 214 13.480 -1.969 0.626 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.482 0.365 -0.180 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.611 -0.796 -1.523 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.060 0.009 -1.189 1.00 0.48 H new ATOM 107 N PHE A 215 10.788 -1.807 1.816 1.00 0.25 N ATOM 108 CA PHE A 215 9.999 -1.439 2.967 1.00 0.18 C ATOM 109 C PHE A 215 10.606 -2.099 4.183 1.00 0.21 C ATOM 110 O PHE A 215 10.529 -3.318 4.345 1.00 0.28 O ATOM 111 CB PHE A 215 8.524 -1.851 2.805 1.00 0.20 C ATOM 112 CG PHE A 215 7.881 -1.338 1.529 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.349 -1.729 0.287 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.818 -0.451 1.573 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.774 -1.257 -0.873 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.242 0.030 0.413 1.00 0.31 C ATOM 117 CZ PHE A 215 6.723 -0.372 -0.811 1.00 0.35 C ATOM 0 H PHE A 215 10.566 -2.722 1.424 1.00 0.25 H new ATOM 0 HA PHE A 215 10.010 -0.355 3.078 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.456 -2.939 2.823 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.957 -1.482 3.660 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.180 -2.416 0.226 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.433 -0.130 2.530 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.149 -1.582 -1.832 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.414 0.722 0.467 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.277 0.006 -1.720 1.00 0.35 H new ATOM 127 N GLN A 216 11.225 -1.274 5.013 1.00 0.18 N ATOM 128 CA GLN A 216 11.840 -1.712 6.253 1.00 0.21 C ATOM 129 C GLN A 216 10.859 -2.567 7.012 1.00 0.24 C ATOM 130 O GLN A 216 11.059 -3.767 7.209 1.00 0.31 O ATOM 131 CB GLN A 216 12.170 -0.485 7.096 1.00 0.20 C ATOM 132 CG GLN A 216 13.464 -0.611 7.886 1.00 0.25 C ATOM 133 CD GLN A 216 13.798 0.634 8.686 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.059 1.711 8.462 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.733 0.634 9.487 1.00 0.79 N flip ATOM 0 H GLN A 216 11.315 -0.272 4.842 1.00 0.18 H new ATOM 0 HA GLN A 216 12.745 -2.280 6.039 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.238 0.385 6.443 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.349 -0.301 7.789 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.387 -1.461 8.564 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.283 -0.824 7.199 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.280 -0.215 9.633 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.961 1.483 10.005 1.00 0.79 H new ATOM 144 N LYS A 217 9.714 -1.966 7.254 1.00 0.20 N ATOM 145 CA LYS A 217 8.595 -2.668 7.809 1.00 0.22 C ATOM 146 C LYS A 217 7.329 -2.308 7.038 1.00 0.17 C ATOM 147 O LYS A 217 6.886 -1.168 7.065 1.00 0.17 O ATOM 148 CB LYS A 217 8.445 -2.278 9.277 1.00 0.28 C ATOM 149 CG LYS A 217 7.347 -3.033 9.989 1.00 0.36 C ATOM 150 CD LYS A 217 6.905 -2.331 11.270 1.00 0.59 C ATOM 151 CE LYS A 217 7.904 -2.496 12.412 1.00 1.26 C ATOM 152 NZ LYS A 217 9.118 -1.646 12.248 1.00 1.85 N ATOM 0 H LYS A 217 9.541 -0.978 7.069 1.00 0.20 H new ATOM 0 HA LYS A 217 8.756 -3.743 7.733 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.390 -2.455 9.791 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.242 -1.209 9.342 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.492 -3.142 9.322 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.695 -4.038 10.228 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.765 -1.269 11.067 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.938 -2.726 11.580 1.00 0.59 H new ATOM 0 HE2 LYS A 217 7.416 -2.246 13.354 1.00 1.26 H new ATOM 0 HE3 LYS A 217 8.205 -3.542 12.477 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 9.452 -1.334 13.182 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 9.866 -2.196 11.779 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 8.884 -0.815 11.668 1.00 1.85 H new ATOM 166 N LYS A 218 6.656 -3.314 6.522 1.00 0.19 N ATOM 167 CA LYS A 218 5.331 -3.134 5.949 1.00 0.20 C ATOM 168 C LYS A 218 4.309 -3.233 7.074 1.00 0.18 C ATOM 169 O LYS A 218 4.508 -4.007 8.012 1.00 0.20 O ATOM 170 CB LYS A 218 5.068 -4.206 4.879 1.00 0.31 C ATOM 171 CG LYS A 218 3.646 -4.230 4.331 1.00 0.39 C ATOM 172 CD LYS A 218 3.308 -5.603 3.774 1.00 0.96 C ATOM 173 CE LYS A 218 3.289 -6.645 4.882 1.00 1.56 C ATOM 174 NZ LYS A 218 3.250 -8.029 4.352 1.00 2.42 N ATOM 0 H LYS A 218 7.004 -4.272 6.486 1.00 0.19 H new ATOM 0 HA LYS A 218 5.255 -2.159 5.469 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.759 -4.049 4.050 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.295 -5.184 5.302 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.942 -3.969 5.121 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.540 -3.478 3.549 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.336 -5.572 3.281 1.00 0.96 H new ATOM 0 HD3 LYS A 218 4.040 -5.884 3.017 1.00 0.96 H new ATOM 0 HE2 LYS A 218 4.173 -6.523 5.508 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.421 -6.478 5.520 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 3.068 -8.694 5.131 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.492 -8.109 3.644 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 4.163 -8.257 3.909 1.00 2.42 H new ATOM 188 N LEU A 219 3.226 -2.470 6.998 1.00 0.16 N ATOM 189 CA LEU A 219 2.184 -2.569 8.011 1.00 0.16 C ATOM 190 C LEU A 219 1.573 -3.970 7.997 1.00 0.16 C ATOM 191 O LEU A 219 1.856 -4.758 7.091 1.00 0.17 O ATOM 192 CB LEU A 219 1.101 -1.506 7.828 1.00 0.20 C ATOM 193 CG LEU A 219 1.318 -0.212 8.615 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.104 0.691 8.489 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.606 -0.514 10.078 1.00 1.62 C ATOM 0 H LEU A 219 3.048 -1.788 6.260 1.00 0.16 H new ATOM 0 HA LEU A 219 2.647 -2.389 8.981 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.031 -1.260 6.768 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.142 -1.934 8.120 1.00 0.20 H new ATOM 0 HG LEU A 219 2.182 0.304 8.197 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.272 1.608 9.054 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.060 0.936 7.440 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -0.773 0.178 8.883 1.00 1.20 H new ATOM 0 HD21 LEU A 219 1.757 0.420 10.619 1.00 1.62 H new ATOM 0 HD22 LEU A 219 0.763 -1.052 10.511 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.505 -1.126 10.153 1.00 1.62 H new ATOM 207 N GLU A 220 0.841 -4.313 9.051 1.00 0.17 N ATOM 208 CA GLU A 220 0.291 -5.660 9.213 1.00 0.20 C ATOM 209 C GLU A 220 -0.385 -6.148 7.934 1.00 0.19 C ATOM 210 O GLU A 220 -1.000 -5.362 7.216 1.00 0.19 O ATOM 211 CB GLU A 220 -0.709 -5.676 10.369 1.00 0.23 C ATOM 212 CG GLU A 220 -1.885 -4.725 10.185 1.00 0.24 C ATOM 213 CD GLU A 220 -2.684 -4.563 11.457 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.143 -4.031 12.447 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.870 -4.948 11.468 1.00 1.12 O ATOM 0 H GLU A 220 0.612 -3.674 9.812 1.00 0.17 H new ATOM 0 HA GLU A 220 1.117 -6.336 9.433 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.091 -6.690 10.492 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.187 -5.418 11.291 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.517 -3.751 9.861 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.534 -5.100 9.394 1.00 0.24 H new ATOM 222 N PRO A 221 -0.218 -7.443 7.601 1.00 0.22 N ATOM 223 CA PRO A 221 -0.744 -8.038 6.358 1.00 0.23 C ATOM 224 C PRO A 221 -2.271 -8.082 6.287 1.00 0.20 C ATOM 225 O PRO A 221 -2.829 -8.896 5.561 1.00 0.19 O ATOM 226 CB PRO A 221 -0.176 -9.464 6.371 1.00 0.29 C ATOM 227 CG PRO A 221 0.145 -9.736 7.799 1.00 0.57 C ATOM 228 CD PRO A 221 0.566 -8.418 8.379 1.00 0.26 C ATOM 0 HA PRO A 221 -0.452 -7.442 5.493 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -0.901 -10.181 5.985 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.713 -9.541 5.745 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -0.721 -10.137 8.326 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.941 -10.475 7.887 1.00 0.57 H new ATOM 0 HD2 PRO A 221 0.342 -8.357 9.444 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.638 -8.253 8.268 1.00 0.26 H new ATOM 236 N ALA A 222 -2.917 -7.095 6.885 1.00 0.20 N ATOM 237 CA ALA A 222 -4.355 -6.929 6.778 1.00 0.19 C ATOM 238 C ALA A 222 -4.716 -5.461 6.898 1.00 0.15 C ATOM 239 O ALA A 222 -5.116 -4.989 7.968 1.00 0.17 O ATOM 240 CB ALA A 222 -5.088 -7.731 7.835 1.00 0.24 C ATOM 0 H ALA A 222 -2.458 -6.387 7.458 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.664 -7.302 5.801 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.162 -7.583 7.724 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.854 -8.789 7.717 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.776 -7.399 8.825 1.00 0.24 H new ATOM 246 N TYR A 223 -4.621 -4.754 5.789 1.00 0.12 N ATOM 247 CA TYR A 223 -5.014 -3.358 5.750 1.00 0.11 C ATOM 248 C TYR A 223 -6.528 -3.290 5.671 1.00 0.13 C ATOM 249 O TYR A 223 -7.141 -4.068 4.944 1.00 0.17 O ATOM 250 CB TYR A 223 -4.394 -2.646 4.542 1.00 0.12 C ATOM 251 CG TYR A 223 -2.907 -2.365 4.643 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.093 -3.177 5.420 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.319 -1.288 3.997 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.740 -2.925 5.550 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.967 -1.028 4.129 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.174 -1.850 4.751 1.00 0.16 C ATOM 257 OH TYR A 223 1.160 -1.590 5.049 1.00 0.21 O ATOM 0 H TYR A 223 -4.275 -5.123 4.903 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.657 -2.857 6.650 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.572 -3.252 3.654 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.915 -1.701 4.392 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.525 -4.023 5.934 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.927 -0.642 3.381 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.125 -3.506 6.221 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.560 -0.121 3.706 1.00 0.20 H new ATOM 0 HH TYR A 223 1.273 -0.635 5.239 1.00 0.21 H new ATOM 267 N GLN A 224 -7.137 -2.442 6.481 1.00 0.15 N ATOM 268 CA GLN A 224 -8.588 -2.368 6.528 1.00 0.18 C ATOM 269 C GLN A 224 -9.087 -0.995 6.099 1.00 0.17 C ATOM 270 O GLN A 224 -8.855 0.009 6.773 1.00 0.22 O ATOM 271 CB GLN A 224 -9.094 -2.740 7.921 1.00 0.26 C ATOM 272 CG GLN A 224 -8.922 -4.221 8.229 1.00 0.34 C ATOM 273 CD GLN A 224 -9.299 -4.596 9.647 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.477 -3.607 10.502 1.00 1.42 O flip ATOM 275 NE2 GLN A 224 -9.401 -5.777 9.978 1.00 0.99 N flip ATOM 0 H GLN A 224 -6.655 -1.800 7.110 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.991 -3.090 5.818 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.559 -2.153 8.667 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.148 -2.475 8.004 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.531 -4.800 7.535 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.884 -4.502 8.052 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -9.256 -6.514 9.288 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -9.630 -6.018 10.942 1.00 0.99 H new ATOM 284 N VAL A 225 -9.687 -0.958 4.915 1.00 0.16 N ATOM 285 CA VAL A 225 -10.150 0.284 4.311 1.00 0.18 C ATOM 286 C VAL A 225 -11.328 0.855 5.063 1.00 0.24 C ATOM 287 O VAL A 225 -12.386 0.248 5.077 1.00 0.30 O ATOM 288 CB VAL A 225 -10.631 0.082 2.853 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.806 1.424 2.147 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.700 -0.828 2.074 1.00 0.77 C ATOM 0 H VAL A 225 -9.866 -1.787 4.348 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.292 0.955 4.343 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.603 -0.410 2.894 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.144 1.256 1.125 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.545 2.022 2.680 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.854 1.954 2.131 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.072 -0.944 1.056 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.702 -0.391 2.047 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.656 -1.804 2.558 1.00 0.77 H new ATOM 300 N SER A 226 -11.256 2.128 5.369 1.00 0.26 N ATOM 301 CA SER A 226 -12.461 2.845 5.709 1.00 0.33 C ATOM 302 C SER A 226 -13.179 3.133 4.393 1.00 0.32 C ATOM 303 O SER A 226 -12.610 3.802 3.528 1.00 0.32 O ATOM 304 CB SER A 226 -12.115 4.135 6.440 1.00 0.42 C ATOM 305 OG SER A 226 -11.261 3.882 7.543 1.00 1.20 O ATOM 0 H SER A 226 -10.397 2.678 5.390 1.00 0.26 H new ATOM 0 HA SER A 226 -13.099 2.264 6.375 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.630 4.828 5.752 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.029 4.617 6.787 1.00 0.42 H new ATOM 0 HG SER A 226 -11.052 4.726 7.995 1.00 1.20 H new ATOM 311 N LYS A 227 -14.204 2.336 4.120 1.00 0.34 N ATOM 312 CA LYS A 227 -14.784 2.244 2.778 1.00 0.37 C ATOM 313 C LYS A 227 -14.986 3.611 2.126 1.00 0.42 C ATOM 314 O LYS A 227 -15.679 4.482 2.650 1.00 0.48 O ATOM 315 CB LYS A 227 -16.115 1.472 2.806 1.00 0.44 C ATOM 316 CG LYS A 227 -17.276 2.248 3.417 1.00 0.95 C ATOM 317 CD LYS A 227 -18.512 2.218 2.531 1.00 0.93 C ATOM 318 CE LYS A 227 -19.143 0.839 2.488 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.331 0.801 1.598 1.00 1.54 N ATOM 0 H LYS A 227 -14.656 1.739 4.812 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.063 1.698 2.170 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.379 1.188 1.787 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.974 0.549 3.368 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.519 1.827 4.393 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.974 3.282 3.582 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.241 2.940 2.900 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.242 2.526 1.521 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.407 0.114 2.142 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.434 0.542 3.495 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.733 -0.158 1.596 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.045 1.475 1.942 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.049 1.060 0.631 1.00 1.54 H new ATOM 333 N GLY A 228 -14.342 3.790 0.979 1.00 0.46 N ATOM 334 CA GLY A 228 -14.452 5.025 0.227 1.00 0.57 C ATOM 335 C GLY A 228 -13.896 6.233 0.960 1.00 0.57 C ATOM 336 O GLY A 228 -13.912 7.344 0.434 1.00 0.70 O ATOM 0 H GLY A 228 -13.736 3.089 0.551 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -13.926 4.912 -0.721 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.501 5.205 -0.010 1.00 0.57 H new ATOM 340 N HIS A 229 -13.346 6.007 2.145 1.00 0.47 N ATOM 341 CA HIS A 229 -12.730 7.069 2.925 1.00 0.53 C ATOM 342 C HIS A 229 -11.246 7.102 2.609 1.00 0.54 C ATOM 343 O HIS A 229 -10.483 7.870 3.195 1.00 1.02 O ATOM 344 CB HIS A 229 -12.969 6.832 4.420 1.00 0.55 C ATOM 345 CG HIS A 229 -12.852 8.064 5.274 1.00 1.32 C ATOM 346 ND1 HIS A 229 -13.163 8.073 6.615 1.00 1.94 N ATOM 347 CD2 HIS A 229 -12.461 9.325 4.975 1.00 2.31 C ATOM 348 CE1 HIS A 229 -12.969 9.282 7.104 1.00 2.66 C ATOM 349 NE2 HIS A 229 -12.543 10.060 6.130 1.00 2.89 N ATOM 0 H HIS A 229 -13.315 5.089 2.589 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.174 8.031 2.667 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.964 6.407 4.553 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.255 6.090 4.776 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -12.144 9.685 4.007 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -13.132 9.583 8.128 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -12.312 11.049 6.220 1.00 2.89 H new ATOM 358 N LYS A 230 -10.873 6.254 1.653 1.00 0.30 N ATOM 359 CA LYS A 230 -9.501 6.130 1.170 1.00 0.28 C ATOM 360 C LYS A 230 -8.614 5.450 2.205 1.00 0.24 C ATOM 361 O LYS A 230 -8.260 6.049 3.224 1.00 0.28 O ATOM 362 CB LYS A 230 -8.909 7.502 0.810 1.00 0.36 C ATOM 363 CG LYS A 230 -9.731 8.301 -0.190 1.00 1.00 C ATOM 364 CD LYS A 230 -9.221 9.729 -0.290 1.00 1.23 C ATOM 365 CE LYS A 230 -10.093 10.583 -1.196 1.00 1.65 C ATOM 366 NZ LYS A 230 -9.925 10.236 -2.631 1.00 2.24 N ATOM 0 H LYS A 230 -11.526 5.625 1.186 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.533 5.515 0.271 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.801 8.088 1.723 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -7.908 7.356 0.404 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.684 7.824 -1.169 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.778 8.304 0.113 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -9.188 10.173 0.705 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -8.199 9.723 -0.670 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -11.138 10.457 -0.914 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -9.847 11.634 -1.048 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -9.539 11.055 -3.143 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.271 9.432 -2.720 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -10.848 9.978 -3.036 1.00 2.24 H new ATOM 380 N ILE A 231 -8.213 4.213 1.933 1.00 0.20 N ATOM 381 CA ILE A 231 -7.306 3.530 2.850 1.00 0.17 C ATOM 382 C ILE A 231 -5.848 3.847 2.513 1.00 0.16 C ATOM 383 O ILE A 231 -5.417 3.731 1.368 1.00 0.17 O ATOM 384 CB ILE A 231 -7.504 1.997 2.864 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.479 1.353 3.809 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.358 1.429 1.463 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.634 -0.137 3.975 1.00 0.19 C ATOM 0 H ILE A 231 -8.490 3.676 1.112 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.547 3.905 3.845 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.509 1.773 3.220 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.477 1.562 3.435 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.559 1.825 4.788 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.500 0.349 1.492 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.107 1.876 0.809 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.362 1.654 1.081 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.870 -0.508 4.658 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.622 -0.357 4.381 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.523 -0.625 3.006 1.00 0.19 H new ATOM 399 N ARG A 232 -5.108 4.281 3.517 1.00 0.17 N ATOM 400 CA ARG A 232 -3.703 4.623 3.356 1.00 0.17 C ATOM 401 C ARG A 232 -2.821 3.397 3.595 1.00 0.15 C ATOM 402 O ARG A 232 -3.011 2.682 4.581 1.00 0.19 O ATOM 403 CB ARG A 232 -3.331 5.729 4.344 1.00 0.22 C ATOM 404 CG ARG A 232 -4.099 7.029 4.153 1.00 0.34 C ATOM 405 CD ARG A 232 -3.625 8.089 5.137 1.00 0.77 C ATOM 406 NE ARG A 232 -4.382 9.340 5.037 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.309 10.196 4.018 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.523 9.948 2.980 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.024 11.312 4.049 1.00 3.14 N ATOM 0 H ARG A 232 -5.461 4.407 4.466 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.541 4.973 2.337 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.502 5.366 5.358 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.264 5.935 4.255 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.965 7.388 3.133 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.165 6.850 4.291 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.709 7.699 6.151 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -2.569 8.294 4.961 1.00 0.77 H new ATOM 0 HE ARG A 232 -5.012 9.573 5.805 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -2.965 9.094 2.955 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -3.476 10.611 2.206 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -5.625 11.511 4.849 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -4.973 11.972 3.273 1.00 3.14 H new ATOM 423 N LEU A 233 -1.841 3.155 2.719 1.00 0.13 N ATOM 424 CA LEU A 233 -0.954 2.028 2.901 1.00 0.14 C ATOM 425 C LEU A 233 0.350 2.515 3.496 1.00 0.13 C ATOM 426 O LEU A 233 1.221 2.996 2.781 1.00 0.13 O ATOM 427 CB LEU A 233 -0.720 1.309 1.563 1.00 0.15 C ATOM 428 CG LEU A 233 -1.799 0.283 1.169 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.157 0.943 0.992 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.407 -0.447 -0.102 1.00 0.23 C ATOM 0 H LEU A 233 -1.652 3.721 1.892 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.407 1.310 3.585 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.649 2.058 0.774 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.243 0.800 1.606 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.875 -0.438 1.983 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.894 0.190 0.714 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.456 1.416 1.927 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.096 1.697 0.207 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.183 -1.167 -0.362 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.292 0.272 -0.913 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.464 -0.971 0.055 1.00 0.23 H new ATOM 442 N THR A 234 0.423 2.493 4.814 1.00 0.14 N ATOM 443 CA THR A 234 1.569 3.028 5.524 1.00 0.16 C ATOM 444 C THR A 234 2.607 1.943 5.779 1.00 0.16 C ATOM 445 O THR A 234 2.263 0.781 5.993 1.00 0.22 O ATOM 446 CB THR A 234 1.135 3.682 6.850 1.00 0.22 C ATOM 447 OG1 THR A 234 0.166 4.705 6.580 1.00 0.33 O ATOM 448 CG2 THR A 234 2.319 4.288 7.591 1.00 0.24 C ATOM 0 H THR A 234 -0.303 2.107 5.418 1.00 0.14 H new ATOM 0 HA THR A 234 2.024 3.794 4.896 1.00 0.16 H new ATOM 0 HB THR A 234 0.702 2.908 7.484 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.113 5.122 7.422 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.974 4.740 8.521 1.00 0.24 H new ATOM 0 HG22 THR A 234 3.046 3.508 7.815 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.786 5.051 6.968 1.00 0.24 H new ATOM 456 N VAL A 235 3.867 2.310 5.618 1.00 0.14 N ATOM 457 CA VAL A 235 4.983 1.385 5.729 1.00 0.14 C ATOM 458 C VAL A 235 6.193 2.118 6.273 1.00 0.14 C ATOM 459 O VAL A 235 6.421 3.265 5.922 1.00 0.16 O ATOM 460 CB VAL A 235 5.353 0.785 4.357 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.244 -0.104 3.851 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.605 1.899 3.365 1.00 0.14 C ATOM 0 H VAL A 235 4.147 3.267 5.405 1.00 0.14 H new ATOM 0 HA VAL A 235 4.684 0.578 6.399 1.00 0.14 H new ATOM 0 HB VAL A 235 6.256 0.186 4.471 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.523 -0.518 2.882 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.077 -0.916 4.558 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.329 0.479 3.746 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.866 1.472 2.397 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.705 2.506 3.263 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.425 2.523 3.719 1.00 0.14 H new ATOM 472 N GLU A 236 7.052 1.417 6.974 1.00 0.13 N ATOM 473 CA GLU A 236 8.303 1.994 7.387 1.00 0.13 C ATOM 474 C GLU A 236 9.300 1.684 6.305 1.00 0.13 C ATOM 475 O GLU A 236 9.610 0.526 6.076 1.00 0.17 O ATOM 476 CB GLU A 236 8.753 1.370 8.706 1.00 0.18 C ATOM 477 CG GLU A 236 9.687 2.236 9.530 1.00 0.29 C ATOM 478 CD GLU A 236 9.952 1.631 10.895 1.00 0.54 C ATOM 479 OE1 GLU A 236 8.984 1.270 11.595 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.139 1.514 11.275 1.00 1.18 O ATOM 0 H GLU A 236 6.906 0.451 7.268 1.00 0.13 H new ATOM 0 HA GLU A 236 8.210 3.069 7.538 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.871 1.140 9.303 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.250 0.423 8.494 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.630 2.363 8.998 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.253 3.229 9.650 1.00 0.29 H new ATOM 487 N LEU A 237 9.630 2.672 5.499 1.00 0.13 N ATOM 488 CA LEU A 237 10.475 2.425 4.350 1.00 0.15 C ATOM 489 C LEU A 237 11.906 2.189 4.777 1.00 0.17 C ATOM 490 O LEU A 237 12.366 2.744 5.765 1.00 0.19 O ATOM 491 CB LEU A 237 10.422 3.578 3.352 1.00 0.17 C ATOM 492 CG LEU A 237 9.392 3.427 2.233 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.542 4.554 1.227 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.536 2.083 1.542 1.00 0.55 C ATOM 0 H LEU A 237 9.331 3.640 5.615 1.00 0.13 H new ATOM 0 HA LEU A 237 10.094 1.530 3.859 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.210 4.498 3.896 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.408 3.693 2.902 1.00 0.17 H new ATOM 0 HG LEU A 237 8.397 3.478 2.675 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.803 4.435 0.435 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.388 5.510 1.727 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.543 4.526 0.796 1.00 0.44 H new ATOM 0 HD21 LEU A 237 8.792 2.000 0.750 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.534 2.000 1.113 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.385 1.283 2.267 1.00 0.55 H new ATOM 506 N ALA A 238 12.610 1.407 3.988 1.00 0.19 N ATOM 507 CA ALA A 238 14.029 1.200 4.177 1.00 0.21 C ATOM 508 C ALA A 238 14.774 2.317 3.468 1.00 0.23 C ATOM 509 O ALA A 238 15.732 2.886 3.985 1.00 0.28 O ATOM 510 CB ALA A 238 14.428 -0.153 3.616 1.00 0.25 C ATOM 0 H ALA A 238 12.215 0.897 3.198 1.00 0.19 H new ATOM 0 HA ALA A 238 14.279 1.214 5.238 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.498 -0.306 3.760 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.877 -0.938 4.133 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.197 -0.188 2.551 1.00 0.25 H new ATOM 516 N ASP A 239 14.256 2.658 2.293 1.00 0.22 N ATOM 517 CA ASP A 239 14.803 3.738 1.477 1.00 0.25 C ATOM 518 C ASP A 239 14.486 5.093 2.085 1.00 0.25 C ATOM 519 O ASP A 239 15.351 5.964 2.163 1.00 0.34 O ATOM 520 CB ASP A 239 14.205 3.689 0.077 1.00 0.31 C ATOM 521 CG ASP A 239 14.910 4.623 -0.892 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.871 5.851 -0.678 1.00 1.28 O ATOM 523 OD2 ASP A 239 15.485 4.130 -1.884 1.00 1.19 O ATOM 0 H ASP A 239 13.447 2.195 1.879 1.00 0.22 H new ATOM 0 HA ASP A 239 15.884 3.605 1.433 1.00 0.25 H new ATOM 0 HB2 ASP A 239 14.260 2.669 -0.302 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.149 3.953 0.128 1.00 0.31 H new ATOM 528 N HIS A 240 13.204 5.270 2.434 1.00 0.27 N ATOM 529 CA HIS A 240 12.663 6.525 2.980 1.00 0.39 C ATOM 530 C HIS A 240 12.247 7.479 1.865 1.00 0.47 C ATOM 531 O HIS A 240 11.213 8.133 1.967 1.00 0.70 O ATOM 532 CB HIS A 240 13.644 7.237 3.927 1.00 0.46 C ATOM 533 CG HIS A 240 14.075 6.411 5.099 1.00 0.46 C ATOM 534 ND1 HIS A 240 13.783 5.133 5.436 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 14.916 6.878 6.081 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.447 4.857 6.599 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.123 5.927 6.968 1.00 0.48 N flip ATOM 0 H HIS A 240 12.502 4.535 2.344 1.00 0.27 H new ATOM 0 HA HIS A 240 11.786 6.243 3.562 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.527 7.533 3.361 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.178 8.152 4.293 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.179 4.494 4.918 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.341 7.870 6.119 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.422 3.916 7.129 1.00 0.57 H new ATOM 546 N ASP A 241 13.066 7.595 0.826 1.00 0.41 N ATOM 547 CA ASP A 241 12.792 8.550 -0.250 1.00 0.51 C ATOM 548 C ASP A 241 12.256 7.885 -1.493 1.00 0.44 C ATOM 549 O ASP A 241 11.810 8.551 -2.424 1.00 0.78 O ATOM 550 CB ASP A 241 14.044 9.355 -0.588 1.00 0.80 C ATOM 551 CG ASP A 241 14.275 10.499 0.373 1.00 1.53 C ATOM 552 OD1 ASP A 241 13.430 11.418 0.432 1.00 2.22 O ATOM 553 OD2 ASP A 241 15.307 10.494 1.075 1.00 2.08 O ATOM 0 H ASP A 241 13.918 7.047 0.703 1.00 0.41 H new ATOM 0 HA ASP A 241 12.017 9.222 0.119 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.911 8.694 -0.576 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.957 9.748 -1.601 1.00 0.80 H new ATOM 558 N ALA A 242 12.349 6.584 -1.508 1.00 0.33 N ATOM 559 CA ALA A 242 11.918 5.778 -2.628 1.00 0.30 C ATOM 560 C ALA A 242 10.508 6.102 -3.082 1.00 0.24 C ATOM 561 O ALA A 242 9.578 6.114 -2.268 1.00 0.28 O ATOM 562 CB ALA A 242 11.967 4.340 -2.206 1.00 0.38 C ATOM 0 H ALA A 242 12.731 6.041 -0.734 1.00 0.33 H new ATOM 0 HA ALA A 242 12.582 5.986 -3.467 1.00 0.30 H new ATOM 0 HB1 ALA A 242 11.646 3.707 -3.033 1.00 0.38 H new ATOM 0 HB2 ALA A 242 12.987 4.078 -1.923 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.304 4.188 -1.354 1.00 0.38 H new ATOM 568 N GLU A 243 10.320 6.093 -4.392 1.00 0.26 N ATOM 569 CA GLU A 243 8.982 6.062 -4.930 1.00 0.30 C ATOM 570 C GLU A 243 8.420 4.688 -4.651 1.00 0.25 C ATOM 571 O GLU A 243 8.980 3.687 -5.099 1.00 0.25 O ATOM 572 CB GLU A 243 8.969 6.277 -6.441 1.00 0.39 C ATOM 573 CG GLU A 243 9.734 7.489 -6.928 1.00 0.67 C ATOM 574 CD GLU A 243 9.681 7.592 -8.434 1.00 1.10 C ATOM 575 OE1 GLU A 243 10.068 6.612 -9.108 1.00 1.64 O ATOM 576 OE2 GLU A 243 9.226 8.630 -8.952 1.00 1.56 O ATOM 0 H GLU A 243 11.067 6.107 -5.087 1.00 0.26 H new ATOM 0 HA GLU A 243 8.399 6.859 -4.469 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.382 5.390 -6.921 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.934 6.365 -6.770 1.00 0.39 H new ATOM 0 HG2 GLU A 243 9.315 8.391 -6.483 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.772 7.425 -6.600 1.00 0.67 H new ATOM 583 N VAL A 244 7.344 4.616 -3.909 1.00 0.24 N ATOM 584 CA VAL A 244 6.762 3.330 -3.622 1.00 0.21 C ATOM 585 C VAL A 244 5.666 3.018 -4.616 1.00 0.20 C ATOM 586 O VAL A 244 4.640 3.696 -4.673 1.00 0.23 O ATOM 587 CB VAL A 244 6.224 3.229 -2.176 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.382 3.227 -1.185 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.236 4.360 -1.867 1.00 0.27 C ATOM 0 H VAL A 244 6.861 5.416 -3.500 1.00 0.24 H new ATOM 0 HA VAL A 244 7.558 2.591 -3.716 1.00 0.21 H new ATOM 0 HB VAL A 244 5.681 2.289 -2.078 1.00 0.22 H new ATOM 0 HG11 VAL A 244 6.992 3.156 -0.170 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.031 2.374 -1.385 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.953 4.150 -1.290 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.877 4.260 -0.843 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.736 5.322 -1.984 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.392 4.304 -2.555 1.00 0.27 H new ATOM 599 N LYS A 245 5.846 1.927 -5.319 1.00 0.18 N ATOM 600 CA LYS A 245 4.801 1.405 -6.158 1.00 0.19 C ATOM 601 C LYS A 245 4.149 0.277 -5.389 1.00 0.15 C ATOM 602 O LYS A 245 4.710 -0.219 -4.418 1.00 0.16 O ATOM 603 CB LYS A 245 5.345 0.923 -7.507 1.00 0.30 C ATOM 604 CG LYS A 245 5.819 2.039 -8.434 1.00 0.89 C ATOM 605 CD LYS A 245 7.269 2.435 -8.175 1.00 1.51 C ATOM 606 CE LYS A 245 7.739 3.484 -9.176 1.00 2.00 C ATOM 607 NZ LYS A 245 9.192 3.777 -9.047 1.00 2.79 N ATOM 0 H LYS A 245 6.709 1.384 -5.325 1.00 0.18 H new ATOM 0 HA LYS A 245 4.075 2.183 -6.394 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.176 0.241 -7.327 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.568 0.352 -8.015 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.713 1.717 -9.470 1.00 0.89 H new ATOM 0 HG3 LYS A 245 5.179 2.911 -8.305 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.367 2.825 -7.162 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.907 1.554 -8.241 1.00 1.51 H new ATOM 0 HE2 LYS A 245 7.529 3.137 -10.188 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.171 4.403 -9.030 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 9.343 4.806 -9.075 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 9.543 3.401 -8.143 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 9.707 3.330 -9.832 1.00 2.79 H new ATOM 621 N TRP A 246 2.908 0.007 -5.641 1.00 0.14 N ATOM 622 CA TRP A 246 2.225 -0.977 -4.839 1.00 0.13 C ATOM 623 C TRP A 246 1.550 -1.964 -5.757 1.00 0.14 C ATOM 624 O TRP A 246 1.673 -1.861 -6.969 1.00 0.14 O ATOM 625 CB TRP A 246 1.266 -0.323 -3.822 1.00 0.14 C ATOM 626 CG TRP A 246 1.974 0.640 -2.893 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.576 1.810 -3.254 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.186 0.522 -1.469 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.149 2.409 -2.168 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.926 1.651 -1.071 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.837 -0.412 -0.489 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.318 1.877 0.240 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.232 -0.173 0.822 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.963 0.960 1.164 1.00 0.15 C ATOM 0 H TRP A 246 2.350 0.439 -6.377 1.00 0.14 H new ATOM 0 HA TRP A 246 2.944 -1.522 -4.228 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.479 0.207 -4.359 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.781 -1.101 -3.233 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.597 2.207 -4.258 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.664 3.289 -2.183 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.274 -1.298 -0.744 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.886 2.754 0.511 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 1.966 -0.882 1.592 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.253 1.109 2.193 1.00 0.15 H new ATOM 645 N LEU A 247 1.104 -3.055 -5.224 1.00 0.15 N ATOM 646 CA LEU A 247 0.577 -4.111 -6.051 1.00 0.14 C ATOM 647 C LEU A 247 -0.848 -4.421 -5.608 1.00 0.15 C ATOM 648 O LEU A 247 -1.098 -4.643 -4.443 1.00 0.16 O ATOM 649 CB LEU A 247 1.473 -5.351 -5.926 1.00 0.15 C ATOM 650 CG LEU A 247 2.414 -5.689 -7.092 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.922 -6.926 -7.828 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.570 -4.521 -8.048 1.00 0.17 C ATOM 0 H LEU A 247 1.091 -3.246 -4.222 1.00 0.15 H new ATOM 0 HA LEU A 247 0.561 -3.803 -7.097 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.083 -5.232 -5.030 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.827 -6.213 -5.759 1.00 0.15 H new ATOM 0 HG LEU A 247 3.398 -5.898 -6.673 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.599 -7.153 -8.651 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.892 -7.771 -7.140 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.922 -6.742 -8.221 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.243 -4.801 -8.858 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.597 -4.256 -8.460 1.00 0.17 H new ATOM 0 HD23 LEU A 247 2.983 -3.666 -7.513 1.00 0.17 H new ATOM 664 N LYS A 248 -1.749 -4.563 -6.542 1.00 0.19 N ATOM 665 CA LYS A 248 -3.074 -5.068 -6.231 1.00 0.25 C ATOM 666 C LYS A 248 -3.030 -6.555 -6.466 1.00 0.25 C ATOM 667 O LYS A 248 -2.107 -7.017 -7.123 1.00 0.21 O ATOM 668 CB LYS A 248 -4.146 -4.414 -7.112 1.00 0.34 C ATOM 669 CG LYS A 248 -5.565 -4.862 -6.795 1.00 0.77 C ATOM 670 CD LYS A 248 -6.596 -4.093 -7.607 1.00 0.95 C ATOM 671 CE LYS A 248 -8.014 -4.489 -7.223 1.00 1.57 C ATOM 672 NZ LYS A 248 -9.034 -3.703 -7.965 1.00 2.06 N ATOM 0 H LYS A 248 -1.598 -4.339 -7.525 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.339 -4.835 -5.200 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.084 -3.332 -6.999 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.930 -4.638 -8.157 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.663 -5.928 -6.999 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.761 -4.722 -5.732 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.460 -3.023 -7.450 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.439 -4.282 -8.669 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.160 -5.551 -7.422 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.153 -4.343 -6.152 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.524 -3.063 -7.308 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.569 -3.145 -8.709 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -9.724 -4.350 -8.397 1.00 2.06 H new ATOM 686 N ASN A 249 -3.839 -7.310 -5.748 1.00 0.34 N ATOM 687 CA ASN A 249 -3.775 -8.764 -5.814 1.00 0.40 C ATOM 688 C ASN A 249 -3.584 -9.220 -7.261 1.00 0.35 C ATOM 689 O ASN A 249 -4.490 -9.081 -8.080 1.00 0.35 O ATOM 690 CB ASN A 249 -5.068 -9.346 -5.257 1.00 0.61 C ATOM 691 CG ASN A 249 -4.928 -10.792 -4.857 1.00 0.75 C ATOM 692 OD1 ASN A 249 -4.982 -11.027 -3.560 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -4.753 -11.678 -5.694 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.548 -6.945 -5.112 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.928 -9.114 -5.224 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -5.382 -8.762 -4.392 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -5.855 -9.255 -6.005 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -4.719 -11.443 -6.686 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -4.642 -12.647 -5.395 1.00 1.19 H new ATOM 700 N GLY A 250 -2.348 -9.605 -7.586 1.00 0.35 N ATOM 701 CA GLY A 250 -1.975 -9.923 -8.958 1.00 0.35 C ATOM 702 C GLY A 250 -1.714 -8.695 -9.837 1.00 0.33 C ATOM 703 O GLY A 250 -0.817 -8.718 -10.681 1.00 0.39 O ATOM 0 H GLY A 250 -1.589 -9.703 -6.912 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -1.079 -10.544 -8.945 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.769 -10.518 -9.410 1.00 0.35 H new ATOM 707 N GLN A 251 -2.527 -7.656 -9.685 1.00 0.30 N ATOM 708 CA GLN A 251 -2.418 -6.451 -10.513 1.00 0.36 C ATOM 709 C GLN A 251 -1.303 -5.532 -10.017 1.00 0.25 C ATOM 710 O GLN A 251 -1.017 -5.472 -8.831 1.00 0.28 O ATOM 711 CB GLN A 251 -3.750 -5.703 -10.507 1.00 0.52 C ATOM 712 CG GLN A 251 -3.798 -4.485 -11.419 1.00 1.28 C ATOM 713 CD GLN A 251 -3.470 -4.815 -12.862 1.00 2.00 C ATOM 714 OE1 GLN A 251 -2.313 -5.051 -13.210 1.00 2.77 O ATOM 715 NE2 GLN A 251 -4.488 -4.849 -13.702 1.00 2.59 N ATOM 0 H GLN A 251 -3.275 -7.620 -8.992 1.00 0.30 H new ATOM 0 HA GLN A 251 -2.172 -6.757 -11.530 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.540 -6.393 -10.803 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.969 -5.386 -9.487 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.792 -4.040 -11.370 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.095 -3.736 -11.054 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -5.431 -4.646 -13.369 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -4.332 -5.078 -14.684 1.00 2.59 H new ATOM 724 N GLU A 252 -0.682 -4.797 -10.913 1.00 0.26 N ATOM 725 CA GLU A 252 0.367 -3.879 -10.509 1.00 0.25 C ATOM 726 C GLU A 252 -0.165 -2.467 -10.304 1.00 0.27 C ATOM 727 O GLU A 252 -1.040 -1.999 -11.036 1.00 0.32 O ATOM 728 CB GLU A 252 1.519 -3.915 -11.494 1.00 0.32 C ATOM 729 CG GLU A 252 2.206 -5.268 -11.507 1.00 0.60 C ATOM 730 CD GLU A 252 3.510 -5.253 -12.278 1.00 1.05 C ATOM 731 OE1 GLU A 252 3.893 -4.180 -12.788 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.159 -6.318 -12.386 1.00 1.60 O ATOM 0 H GLU A 252 -0.879 -4.814 -11.914 1.00 0.26 H new ATOM 0 HA GLU A 252 0.747 -4.209 -9.542 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.150 -3.685 -12.494 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.243 -3.142 -11.236 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.398 -5.583 -10.481 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.537 -6.007 -11.947 1.00 0.60 H new ATOM 739 N ILE A 253 0.248 -1.874 -9.196 1.00 0.23 N ATOM 740 CA ILE A 253 -0.269 -0.593 -8.748 1.00 0.27 C ATOM 741 C ILE A 253 0.814 0.498 -8.781 1.00 0.28 C ATOM 742 O ILE A 253 1.844 0.408 -8.104 1.00 0.28 O ATOM 743 CB ILE A 253 -0.853 -0.769 -7.325 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.297 -1.248 -7.388 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.734 0.478 -6.477 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.889 -1.516 -6.023 1.00 0.33 C ATOM 0 H ILE A 253 0.956 -2.271 -8.579 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.056 -0.263 -9.427 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.250 -1.533 -6.835 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.901 -0.498 -7.899 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.347 -2.159 -7.985 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.161 0.290 -5.492 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.317 0.747 -6.372 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.272 1.296 -6.956 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.919 -1.854 -6.133 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.306 -2.287 -5.518 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.869 -0.601 -5.432 1.00 0.33 H new ATOM 758 N GLN A 254 0.582 1.527 -9.578 1.00 0.36 N ATOM 759 CA GLN A 254 1.523 2.634 -9.676 1.00 0.43 C ATOM 760 C GLN A 254 1.194 3.706 -8.638 1.00 0.61 C ATOM 761 O GLN A 254 0.919 3.394 -7.480 1.00 1.42 O ATOM 762 CB GLN A 254 1.509 3.228 -11.084 1.00 0.70 C ATOM 763 CG GLN A 254 1.888 2.235 -12.167 1.00 1.00 C ATOM 764 CD GLN A 254 1.999 2.884 -13.529 1.00 1.75 C ATOM 765 OE1 GLN A 254 1.009 3.345 -14.095 1.00 2.63 O ATOM 766 NE2 GLN A 254 3.210 2.938 -14.056 1.00 2.21 N ATOM 0 H GLN A 254 -0.246 1.621 -10.166 1.00 0.36 H new ATOM 0 HA GLN A 254 2.525 2.254 -9.475 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.514 3.619 -11.294 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.198 4.072 -11.120 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.839 1.768 -11.911 1.00 1.00 H new ATOM 0 HG3 GLN A 254 1.143 1.441 -12.205 1.00 1.00 H new ATOM 0 HE21 GLN A 254 4.004 2.543 -13.552 1.00 2.21 H new ATOM 0 HE22 GLN A 254 3.351 3.375 -14.967 1.00 2.21 H new ATOM 775 N MET A 255 1.152 4.958 -9.076 1.00 0.59 N ATOM 776 CA MET A 255 0.793 6.065 -8.207 1.00 0.61 C ATOM 777 C MET A 255 0.060 7.133 -9.007 1.00 0.65 C ATOM 778 O MET A 255 0.341 7.341 -10.191 1.00 0.95 O ATOM 779 CB MET A 255 2.030 6.659 -7.514 1.00 0.95 C ATOM 780 CG MET A 255 3.082 7.223 -8.462 1.00 1.58 C ATOM 781 SD MET A 255 4.063 5.943 -9.272 1.00 2.30 S ATOM 782 CE MET A 255 5.251 6.949 -10.152 1.00 2.61 C ATOM 0 H MET A 255 1.364 5.230 -10.036 1.00 0.59 H new ATOM 0 HA MET A 255 0.132 5.687 -7.427 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.706 7.452 -6.839 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.491 5.886 -6.899 1.00 0.95 H new ATOM 0 HG2 MET A 255 2.590 7.830 -9.222 1.00 1.58 H new ATOM 0 HG3 MET A 255 3.746 7.884 -7.906 1.00 1.58 H new ATOM 0 HE1 MET A 255 5.934 6.305 -10.706 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.728 7.606 -10.847 1.00 2.61 H new ATOM 0 HE3 MET A 255 5.817 7.550 -9.440 1.00 2.61 H new ATOM 792 N SER A 256 -0.968 7.705 -8.403 1.00 0.57 N ATOM 793 CA SER A 256 -1.830 8.664 -9.076 1.00 0.69 C ATOM 794 C SER A 256 -2.532 9.555 -8.057 1.00 1.00 C ATOM 795 O SER A 256 -2.439 9.326 -6.850 1.00 1.47 O ATOM 796 CB SER A 256 -2.872 7.932 -9.931 1.00 0.76 C ATOM 797 OG SER A 256 -2.261 7.193 -10.978 1.00 1.64 O ATOM 0 H SER A 256 -1.229 7.519 -7.435 1.00 0.57 H new ATOM 0 HA SER A 256 -1.213 9.287 -9.723 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.453 7.259 -9.301 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.570 8.655 -10.354 1.00 0.76 H new ATOM 0 HG SER A 256 -1.287 7.278 -10.913 1.00 1.64 H new ATOM 803 N GLY A 257 -3.193 10.595 -8.547 1.00 1.01 N ATOM 804 CA GLY A 257 -3.895 11.509 -7.670 1.00 1.41 C ATOM 805 C GLY A 257 -5.180 10.915 -7.129 1.00 1.28 C ATOM 806 O GLY A 257 -5.551 11.162 -5.980 1.00 1.69 O ATOM 0 H GLY A 257 -3.255 10.822 -9.539 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.245 11.782 -6.838 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.122 12.427 -8.212 1.00 1.41 H new ATOM 810 N SER A 258 -5.889 10.179 -7.974 1.00 1.07 N ATOM 811 CA SER A 258 -7.155 9.571 -7.588 1.00 0.96 C ATOM 812 C SER A 258 -6.926 8.352 -6.696 1.00 0.74 C ATOM 813 O SER A 258 -7.126 8.414 -5.483 1.00 1.14 O ATOM 814 CB SER A 258 -7.942 9.187 -8.843 1.00 1.08 C ATOM 815 OG SER A 258 -7.094 8.590 -9.814 1.00 1.77 O ATOM 0 H SER A 258 -5.607 9.988 -8.936 1.00 1.07 H new ATOM 0 HA SER A 258 -7.733 10.295 -7.014 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.741 8.494 -8.578 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.416 10.073 -9.265 1.00 1.08 H new ATOM 0 HG SER A 258 -7.620 8.352 -10.606 1.00 1.77 H new ATOM 821 N LYS A 259 -6.406 7.285 -7.279 1.00 0.51 N ATOM 822 CA LYS A 259 -6.042 6.098 -6.520 1.00 0.37 C ATOM 823 C LYS A 259 -4.529 5.982 -6.466 1.00 0.33 C ATOM 824 O LYS A 259 -3.843 6.627 -7.255 1.00 0.45 O ATOM 825 CB LYS A 259 -6.647 4.832 -7.141 1.00 0.48 C ATOM 826 CG LYS A 259 -8.166 4.776 -7.069 1.00 1.11 C ATOM 827 CD LYS A 259 -8.823 5.268 -8.349 1.00 1.59 C ATOM 828 CE LYS A 259 -8.614 4.286 -9.491 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.355 4.682 -10.716 1.00 2.41 N ATOM 0 H LYS A 259 -6.225 7.216 -8.280 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.441 6.195 -5.510 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.340 4.769 -8.185 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.236 3.959 -6.634 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.481 3.751 -6.873 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.510 5.381 -6.231 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -9.890 5.411 -8.181 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.410 6.239 -8.622 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -7.550 4.217 -9.718 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -8.938 3.293 -9.178 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.183 3.984 -11.467 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.373 4.722 -10.508 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.029 5.618 -11.032 1.00 2.41 H new ATOM 843 N TYR A 260 -4.011 5.155 -5.553 1.00 0.24 N ATOM 844 CA TYR A 260 -2.567 4.963 -5.426 1.00 0.27 C ATOM 845 C TYR A 260 -1.883 6.294 -5.123 1.00 0.27 C ATOM 846 O TYR A 260 -0.987 6.729 -5.840 1.00 0.29 O ATOM 847 CB TYR A 260 -1.981 4.349 -6.703 1.00 0.33 C ATOM 848 CG TYR A 260 -2.875 3.325 -7.361 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.461 2.323 -6.606 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.122 3.349 -8.729 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.270 1.372 -7.190 1.00 0.52 C ATOM 852 CE2 TYR A 260 -3.929 2.400 -9.319 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.531 1.472 -8.596 1.00 0.95 C ATOM 854 OH TYR A 260 -5.313 0.471 -9.131 1.00 1.24 O ATOM 0 H TYR A 260 -4.569 4.611 -4.895 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.387 4.274 -4.601 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.775 5.147 -7.416 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.026 3.881 -6.463 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.281 2.286 -5.542 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.676 4.122 -9.338 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -4.696 0.572 -6.603 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.072 2.415 -10.389 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.434 0.628 -10.091 1.00 1.24 H new ATOM 864 N ILE A 261 -2.364 6.961 -4.095 1.00 0.26 N ATOM 865 CA ILE A 261 -1.868 8.276 -3.727 1.00 0.27 C ATOM 866 C ILE A 261 -0.608 8.158 -2.874 1.00 0.28 C ATOM 867 O ILE A 261 -0.605 7.482 -1.850 1.00 0.35 O ATOM 868 CB ILE A 261 -2.946 9.035 -2.935 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.246 9.115 -3.739 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.465 10.418 -2.548 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.416 9.654 -2.945 1.00 0.39 C ATOM 0 H ILE A 261 -3.107 6.611 -3.491 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.627 8.820 -4.640 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.144 8.483 -2.016 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -4.086 9.749 -4.611 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.496 8.121 -4.110 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.247 10.932 -1.989 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.572 10.333 -1.928 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.229 10.986 -3.448 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.303 9.683 -3.578 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.603 9.007 -2.088 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -5.186 10.661 -2.597 1.00 0.39 H new ATOM 883 N PHE A 262 0.460 8.816 -3.286 1.00 0.30 N ATOM 884 CA PHE A 262 1.707 8.757 -2.538 1.00 0.32 C ATOM 885 C PHE A 262 1.703 9.723 -1.352 1.00 0.30 C ATOM 886 O PHE A 262 1.228 10.857 -1.453 1.00 0.37 O ATOM 887 CB PHE A 262 2.917 9.003 -3.454 1.00 0.46 C ATOM 888 CG PHE A 262 2.752 10.133 -4.441 1.00 0.63 C ATOM 889 CD1 PHE A 262 2.629 11.438 -3.990 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.701 9.894 -5.805 1.00 0.84 C ATOM 891 CE1 PHE A 262 2.466 12.481 -4.880 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.539 10.934 -6.700 1.00 1.09 C ATOM 893 CZ PHE A 262 2.478 12.199 -6.281 1.00 1.18 C ATOM 0 H PHE A 262 0.492 9.393 -4.126 1.00 0.30 H new ATOM 0 HA PHE A 262 1.795 7.749 -2.133 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.788 9.208 -2.832 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.128 8.087 -4.006 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.661 11.641 -2.930 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.789 8.882 -6.173 1.00 0.84 H new ATOM 0 HE1 PHE A 262 2.332 13.492 -4.524 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.461 10.719 -7.756 1.00 1.09 H new ATOM 0 HZ PHE A 262 2.438 13.006 -6.997 1.00 1.18 H new ATOM 903 N GLU A 263 2.200 9.247 -0.219 1.00 0.26 N ATOM 904 CA GLU A 263 2.266 10.043 0.999 1.00 0.30 C ATOM 905 C GLU A 263 3.474 9.611 1.822 1.00 0.28 C ATOM 906 O GLU A 263 3.852 8.442 1.796 1.00 0.33 O ATOM 907 CB GLU A 263 0.977 9.882 1.809 1.00 0.37 C ATOM 908 CG GLU A 263 0.896 10.790 3.028 1.00 0.56 C ATOM 909 CD GLU A 263 1.045 12.254 2.670 1.00 1.07 C ATOM 910 OE1 GLU A 263 2.168 12.686 2.335 1.00 1.73 O ATOM 911 OE2 GLU A 263 0.029 12.978 2.691 1.00 1.79 O ATOM 0 H GLU A 263 2.568 8.301 -0.118 1.00 0.26 H new ATOM 0 HA GLU A 263 2.373 11.096 0.737 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.125 10.084 1.160 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.891 8.845 2.134 1.00 0.37 H new ATOM 0 HG2 GLU A 263 -0.060 10.637 3.528 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.675 10.511 3.737 1.00 0.56 H new ATOM 918 N SER A 264 4.144 10.565 2.451 1.00 0.34 N ATOM 919 CA SER A 264 5.378 10.276 3.169 1.00 0.36 C ATOM 920 C SER A 264 5.326 10.837 4.583 1.00 0.34 C ATOM 921 O SER A 264 5.110 12.033 4.772 1.00 0.39 O ATOM 922 CB SER A 264 6.557 10.891 2.419 1.00 0.46 C ATOM 923 OG SER A 264 6.297 10.947 1.026 1.00 1.41 O ATOM 0 H SER A 264 3.856 11.543 2.479 1.00 0.34 H new ATOM 0 HA SER A 264 5.500 9.195 3.231 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.750 11.895 2.798 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.456 10.303 2.602 1.00 0.46 H new ATOM 0 HG SER A 264 7.065 11.346 0.566 1.00 1.41 H new ATOM 929 N ILE A 265 5.525 9.975 5.575 1.00 0.31 N ATOM 930 CA ILE A 265 5.516 10.408 6.968 1.00 0.34 C ATOM 931 C ILE A 265 6.722 9.844 7.718 1.00 0.38 C ATOM 932 O ILE A 265 6.732 8.669 8.092 1.00 0.42 O ATOM 933 CB ILE A 265 4.218 9.976 7.691 1.00 0.42 C ATOM 934 CG1 ILE A 265 2.989 10.507 6.946 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.218 10.473 9.131 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.671 10.059 7.541 1.00 1.31 C ATOM 0 H ILE A 265 5.694 8.978 5.442 1.00 0.31 H new ATOM 0 HA ILE A 265 5.566 11.497 6.964 1.00 0.34 H new ATOM 0 HB ILE A 265 4.176 8.887 7.700 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.022 11.596 6.940 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.037 10.181 5.907 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.298 10.160 9.624 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.074 10.054 9.660 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.283 11.561 9.140 1.00 0.73 H new ATOM 0 HD11 ILE A 265 0.849 10.475 6.959 1.00 1.31 H new ATOM 0 HD12 ILE A 265 1.614 8.971 7.522 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.599 10.408 8.571 1.00 1.31 H new ATOM 948 N GLY A 266 7.715 10.698 7.966 1.00 0.48 N ATOM 949 CA GLY A 266 8.896 10.296 8.720 1.00 0.65 C ATOM 950 C GLY A 266 9.488 8.990 8.231 1.00 0.86 C ATOM 951 O GLY A 266 9.454 7.991 8.956 1.00 1.93 O ATOM 0 H GLY A 266 7.723 11.670 7.655 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.650 11.080 8.651 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.633 10.199 9.773 1.00 0.65 H new ATOM 955 N ALA A 267 9.846 8.960 6.942 1.00 0.48 N ATOM 956 CA ALA A 267 10.303 7.746 6.252 1.00 0.39 C ATOM 957 C ALA A 267 9.150 6.820 5.941 1.00 0.30 C ATOM 958 O ALA A 267 9.172 6.114 4.930 1.00 0.32 O ATOM 959 CB ALA A 267 11.334 6.973 7.046 1.00 0.44 C ATOM 0 H ALA A 267 9.827 9.785 6.342 1.00 0.48 H new ATOM 0 HA ALA A 267 10.764 8.094 5.328 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.634 6.087 6.487 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.205 7.604 7.222 1.00 0.44 H new ATOM 0 HB3 ALA A 267 10.906 6.671 8.002 1.00 0.44 H new ATOM 965 N LYS A 268 8.210 6.730 6.866 1.00 0.26 N ATOM 966 CA LYS A 268 7.111 5.817 6.713 1.00 0.25 C ATOM 967 C LYS A 268 6.252 6.252 5.547 1.00 0.29 C ATOM 968 O LYS A 268 5.648 7.330 5.547 1.00 0.47 O ATOM 969 CB LYS A 268 6.315 5.701 8.010 1.00 0.28 C ATOM 970 CG LYS A 268 7.079 4.958 9.098 1.00 0.30 C ATOM 971 CD LYS A 268 6.425 5.124 10.459 1.00 0.41 C ATOM 972 CE LYS A 268 6.506 6.564 10.946 1.00 1.20 C ATOM 973 NZ LYS A 268 7.914 7.026 11.099 1.00 2.00 N ATOM 0 H LYS A 268 8.193 7.280 7.725 1.00 0.26 H new ATOM 0 HA LYS A 268 7.493 4.820 6.495 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.060 6.699 8.366 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.376 5.184 7.812 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.132 3.899 8.847 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.104 5.327 9.140 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.381 4.817 10.402 1.00 0.41 H new ATOM 0 HD3 LYS A 268 6.912 4.467 11.180 1.00 0.41 H new ATOM 0 HE2 LYS A 268 5.986 7.214 10.242 1.00 1.20 H new ATOM 0 HE3 LYS A 268 5.990 6.652 11.902 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 7.948 7.819 11.772 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 8.499 6.244 11.456 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.279 7.339 10.177 1.00 2.00 H new ATOM 987 N ARG A 269 6.343 5.471 4.495 1.00 0.16 N ATOM 988 CA ARG A 269 5.699 5.793 3.254 1.00 0.16 C ATOM 989 C ARG A 269 4.270 5.293 3.266 1.00 0.18 C ATOM 990 O ARG A 269 3.943 4.351 3.980 1.00 0.17 O ATOM 991 CB ARG A 269 6.473 5.201 2.078 1.00 0.20 C ATOM 992 CG ARG A 269 5.958 5.668 0.744 1.00 0.53 C ATOM 993 CD ARG A 269 6.228 7.149 0.506 1.00 0.79 C ATOM 994 NE ARG A 269 7.655 7.470 0.508 1.00 0.69 N ATOM 995 CZ ARG A 269 8.177 8.527 -0.119 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.427 9.252 -0.938 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.449 8.849 0.056 1.00 1.17 N ATOM 0 H ARG A 269 6.867 4.596 4.481 1.00 0.16 H new ATOM 0 HA ARG A 269 5.685 6.876 3.136 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.525 5.470 2.170 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.417 4.113 2.123 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.426 5.084 -0.048 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.885 5.483 0.686 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.795 7.444 -0.450 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.727 7.734 1.277 1.00 0.79 H new ATOM 0 HE ARG A 269 8.287 6.852 1.017 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.450 9.002 -1.090 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.827 10.059 -1.416 1.00 1.85 H new ATOM 0 HH21 ARG A 269 10.037 8.288 0.673 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.841 9.658 -0.426 1.00 1.17 H new ATOM 1011 N THR A 270 3.396 6.022 2.612 1.00 0.18 N ATOM 1012 CA THR A 270 1.990 5.704 2.634 1.00 0.18 C ATOM 1013 C THR A 270 1.376 5.786 1.241 1.00 0.19 C ATOM 1014 O THR A 270 1.600 6.749 0.502 1.00 0.22 O ATOM 1015 CB THR A 270 1.244 6.647 3.594 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.723 6.456 4.934 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.250 6.410 3.547 1.00 0.24 C ATOM 0 H THR A 270 3.637 6.843 2.056 1.00 0.18 H new ATOM 0 HA THR A 270 1.889 4.678 2.987 1.00 0.18 H new ATOM 0 HB THR A 270 1.436 7.672 3.278 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.115 5.858 5.417 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.748 7.092 4.236 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.615 6.586 2.535 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.464 5.381 3.836 1.00 0.24 H new ATOM 1025 N LEU A 271 0.605 4.766 0.902 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.096 4.715 -0.368 1.00 0.17 C ATOM 1027 C LEU A 271 -1.596 4.873 -0.127 1.00 0.16 C ATOM 1028 O LEU A 271 -2.254 3.938 0.310 1.00 0.17 O ATOM 1029 CB LEU A 271 0.194 3.381 -1.060 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.197 3.265 -2.541 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.685 2.994 -2.706 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.220 4.516 -3.297 1.00 0.49 C ATOM 0 H LEU A 271 0.448 3.953 1.498 1.00 0.17 H new ATOM 0 HA LEU A 271 0.247 5.526 -1.010 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.262 3.180 -0.975 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.323 2.595 -0.510 1.00 0.20 H new ATOM 0 HG LEU A 271 0.334 2.413 -2.965 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -1.926 2.918 -3.766 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -1.942 2.059 -2.208 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.255 3.810 -2.262 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.064 4.419 -4.345 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.277 5.385 -2.865 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.300 4.642 -3.224 1.00 0.49 H new ATOM 1044 N THR A 272 -2.136 6.048 -0.378 1.00 0.18 N ATOM 1045 CA THR A 272 -3.551 6.274 -0.152 1.00 0.21 C ATOM 1046 C THR A 272 -4.378 5.715 -1.310 1.00 0.22 C ATOM 1047 O THR A 272 -4.217 6.114 -2.462 1.00 0.29 O ATOM 1048 CB THR A 272 -3.863 7.767 0.032 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.790 8.406 0.740 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.162 7.952 0.804 1.00 0.30 C ATOM 0 H THR A 272 -1.624 6.855 -0.735 1.00 0.18 H new ATOM 0 HA THR A 272 -3.819 5.752 0.767 1.00 0.21 H new ATOM 0 HB THR A 272 -3.972 8.220 -0.953 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.823 9.373 0.581 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.366 9.016 0.924 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.981 7.485 0.256 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.071 7.487 1.786 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.238 4.769 -0.996 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.082 4.139 -1.993 1.00 0.26 C ATOM 1060 C ILE A 273 -7.519 4.638 -1.871 1.00 0.28 C ATOM 1061 O ILE A 273 -8.122 4.604 -0.788 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.004 2.587 -1.896 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.276 2.029 -3.118 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.379 1.942 -1.767 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.001 2.293 -4.422 1.00 0.86 C ATOM 0 H ILE A 273 -5.372 4.416 -0.049 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.714 4.419 -2.980 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.449 2.344 -0.990 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.279 2.467 -3.170 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.145 0.954 -2.995 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.269 0.860 -1.703 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.871 2.311 -0.867 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.982 2.194 -2.639 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.429 1.870 -5.248 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -6.988 1.831 -4.390 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.108 3.368 -4.568 1.00 0.86 H new ATOM 1077 N SER A 274 -8.021 5.174 -2.972 1.00 0.33 N ATOM 1078 CA SER A 274 -9.351 5.753 -3.021 1.00 0.39 C ATOM 1079 C SER A 274 -10.313 4.826 -3.750 1.00 0.45 C ATOM 1080 O SER A 274 -9.902 4.094 -4.649 1.00 0.50 O ATOM 1081 CB SER A 274 -9.306 7.101 -3.735 1.00 0.52 C ATOM 1082 OG SER A 274 -8.353 7.967 -3.142 1.00 1.13 O ATOM 0 H SER A 274 -7.516 5.219 -3.857 1.00 0.33 H new ATOM 0 HA SER A 274 -9.702 5.893 -1.999 1.00 0.39 H new ATOM 0 HB2 SER A 274 -9.059 6.950 -4.786 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.292 7.565 -3.703 1.00 0.52 H new ATOM 0 HG SER A 274 -7.637 8.155 -3.785 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.593 4.913 -3.395 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.649 4.146 -4.057 1.00 0.62 C ATOM 1090 C GLN A 275 -12.261 2.680 -4.223 1.00 0.62 C ATOM 1091 O GLN A 275 -12.281 2.134 -5.325 1.00 0.74 O ATOM 1092 CB GLN A 275 -13.004 4.773 -5.406 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.557 6.186 -5.284 1.00 0.90 C ATOM 1094 CD GLN A 275 -14.803 6.264 -4.416 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.753 6.038 -3.205 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -15.929 6.595 -5.024 1.00 2.27 N ATOM 0 H GLN A 275 -11.928 5.515 -2.643 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.532 4.178 -3.418 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -12.115 4.791 -6.036 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.739 4.145 -5.909 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -12.788 6.836 -4.866 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -13.790 6.566 -6.279 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -15.933 6.775 -6.028 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -16.794 6.671 -4.489 1.00 2.27 H new ATOM 1105 N CYS A 276 -11.948 2.051 -3.104 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.587 0.644 -3.068 1.00 0.69 C ATOM 1107 C CYS A 276 -12.144 0.063 -1.798 1.00 0.75 C ATOM 1108 O CYS A 276 -11.415 -0.324 -0.887 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.071 0.455 -3.130 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.301 1.119 -4.622 1.00 2.00 S ATOM 0 H CYS A 276 -11.937 2.504 -2.190 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.002 0.133 -3.937 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.621 0.932 -2.260 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.846 -0.609 -3.062 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.543 2.394 -4.705 1.00 2.00 H new ATOM 1116 N SER A 277 -13.437 0.230 -1.668 1.00 0.54 N ATOM 1117 CA SER A 277 -14.123 -0.089 -0.452 1.00 0.52 C ATOM 1118 C SER A 277 -14.588 -1.549 -0.447 1.00 0.48 C ATOM 1119 O SER A 277 -13.788 -2.457 -0.686 1.00 0.47 O ATOM 1120 CB SER A 277 -15.299 0.862 -0.287 1.00 0.56 C ATOM 1121 OG SER A 277 -16.060 0.948 -1.478 1.00 0.63 O ATOM 0 H SER A 277 -14.040 0.592 -2.407 1.00 0.54 H new ATOM 0 HA SER A 277 -13.441 0.031 0.390 1.00 0.52 H new ATOM 0 HB2 SER A 277 -15.935 0.520 0.530 1.00 0.56 H new ATOM 0 HB3 SER A 277 -14.934 1.852 -0.014 1.00 0.56 H new ATOM 0 HG SER A 277 -16.810 1.564 -1.343 1.00 0.63 H new ATOM 1127 N LEU A 278 -15.875 -1.768 -0.153 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.452 -3.111 -0.067 1.00 0.54 C ATOM 1129 C LEU A 278 -16.555 -3.770 -1.438 1.00 0.58 C ATOM 1130 O LEU A 278 -17.654 -4.062 -1.912 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.845 -3.067 0.576 1.00 0.63 C ATOM 1132 CG LEU A 278 -17.884 -3.243 2.094 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.374 -4.621 2.487 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.076 -2.157 2.779 1.00 0.79 C ATOM 0 H LEU A 278 -16.543 -1.020 0.031 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.781 -3.704 0.555 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.309 -2.112 0.328 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.458 -3.846 0.123 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.920 -3.156 2.422 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.410 -4.727 3.571 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.000 -5.386 2.027 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.346 -4.740 2.145 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.116 -2.300 3.859 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.040 -2.209 2.445 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.491 -1.181 2.526 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.417 -3.949 -2.086 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.366 -4.525 -3.419 1.00 0.61 C ATOM 1148 C ALA A 279 -13.938 -4.904 -3.780 1.00 0.58 C ATOM 1149 O ALA A 279 -13.692 -5.959 -4.366 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.925 -3.545 -4.441 1.00 0.71 C ATOM 0 H ALA A 279 -14.504 -3.700 -1.704 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.978 -5.427 -3.429 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.880 -3.991 -5.435 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.961 -3.313 -4.194 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.335 -2.629 -4.427 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.001 -4.027 -3.441 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.594 -4.246 -3.761 1.00 0.59 C ATOM 1158 C ASP A 280 -10.889 -5.039 -2.668 1.00 0.50 C ATOM 1159 O ASP A 280 -9.706 -5.361 -2.795 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.886 -2.912 -4.005 1.00 0.70 C ATOM 1161 CG ASP A 280 -11.287 -2.292 -5.329 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.962 -2.871 -6.387 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -11.961 -1.244 -5.321 1.00 1.84 O ATOM 0 H ASP A 280 -13.189 -3.156 -2.944 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.549 -4.836 -4.676 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.123 -2.222 -3.195 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.807 -3.065 -3.988 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.656 -5.439 -1.653 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.158 -6.316 -0.587 1.00 0.33 C ATOM 1170 C ASP A 281 -10.467 -7.536 -1.191 1.00 0.34 C ATOM 1171 O ASP A 281 -11.060 -8.254 -2.003 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.326 -6.749 0.318 1.00 0.40 C ATOM 1173 CG ASP A 281 -11.959 -7.819 1.343 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.615 -8.945 0.937 1.00 0.81 O ATOM 1175 OD2 ASP A 281 -11.969 -7.529 2.562 1.00 1.12 O ATOM 0 H ASP A 281 -12.633 -5.168 -1.545 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.431 -5.772 0.015 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.708 -5.874 0.844 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.136 -7.124 -0.308 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.193 -7.708 -0.844 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.355 -8.773 -1.399 1.00 0.37 C ATOM 1182 C ALA A 282 -6.956 -8.689 -0.802 1.00 0.35 C ATOM 1183 O ALA A 282 -6.771 -8.945 0.382 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.288 -8.690 -2.922 1.00 0.48 C ATOM 0 H ALA A 282 -8.711 -7.113 -0.170 1.00 0.31 H new ATOM 0 HA ALA A 282 -8.802 -9.732 -1.139 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.658 -9.494 -3.303 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.292 -8.788 -3.336 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -7.866 -7.729 -3.216 1.00 0.48 H new ATOM 1190 N ALA A 283 -5.986 -8.241 -1.600 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.640 -7.992 -1.100 1.00 0.17 C ATOM 1192 C ALA A 283 -3.961 -6.889 -1.904 1.00 0.15 C ATOM 1193 O ALA A 283 -3.951 -6.937 -3.136 1.00 0.19 O ATOM 1194 CB ALA A 283 -3.808 -9.267 -1.135 1.00 0.22 C ATOM 0 H ALA A 283 -6.110 -8.044 -2.593 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.719 -7.662 -0.064 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -2.807 -9.059 -0.758 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.280 -10.027 -0.512 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -3.741 -9.630 -2.161 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.303 -5.962 -1.214 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.477 -4.961 -1.884 1.00 0.13 C ATOM 1202 C TYR A 284 -1.029 -5.101 -1.409 1.00 0.14 C ATOM 1203 O TYR A 284 -0.705 -4.810 -0.264 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.986 -3.513 -1.661 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.192 -3.114 -2.511 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.166 -4.055 -2.889 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.365 -1.803 -2.937 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.253 -3.683 -3.656 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.453 -1.433 -3.703 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.396 -2.397 -4.066 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.478 -2.004 -4.819 1.00 0.41 O ATOM 0 H TYR A 284 -3.325 -5.882 -0.197 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.539 -5.145 -2.957 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.246 -3.393 -0.609 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.170 -2.821 -1.868 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -5.063 -5.083 -2.575 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.633 -1.057 -2.663 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.993 -4.420 -3.931 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.573 -0.407 -4.019 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.771 -1.114 -4.531 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.168 -5.556 -2.305 1.00 0.13 N ATOM 1222 CA GLN A 285 1.241 -5.725 -2.022 1.00 0.13 C ATOM 1223 C GLN A 285 1.962 -4.389 -2.135 1.00 0.12 C ATOM 1224 O GLN A 285 1.417 -3.425 -2.665 1.00 0.13 O ATOM 1225 CB GLN A 285 1.876 -6.733 -2.994 1.00 0.12 C ATOM 1226 CG GLN A 285 1.236 -8.116 -2.978 1.00 0.15 C ATOM 1227 CD GLN A 285 0.003 -8.239 -3.860 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.186 -7.297 -4.774 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.756 -9.200 -3.745 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.433 -5.819 -3.254 1.00 0.13 H new ATOM 0 HA GLN A 285 1.339 -6.107 -1.006 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.816 -6.331 -4.005 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.934 -6.834 -2.753 1.00 0.12 H new ATOM 0 HG2 GLN A 285 1.975 -8.850 -3.300 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.963 -8.367 -1.953 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.580 -9.906 -3.030 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.561 -9.291 -4.364 1.00 0.18 H new ATOM 1238 N CYS A 286 3.187 -4.341 -1.655 1.00 0.14 N ATOM 1239 CA CYS A 286 3.983 -3.124 -1.717 1.00 0.19 C ATOM 1240 C CYS A 286 5.250 -3.357 -2.485 1.00 0.19 C ATOM 1241 O CYS A 286 5.738 -4.480 -2.508 1.00 0.20 O ATOM 1242 CB CYS A 286 4.319 -2.661 -0.338 1.00 0.28 C ATOM 1243 SG CYS A 286 5.201 -3.872 0.673 1.00 1.00 S ATOM 0 H CYS A 286 3.658 -5.132 -1.215 1.00 0.14 H new ATOM 0 HA CYS A 286 3.396 -2.360 -2.227 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.925 -1.758 -0.410 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.396 -2.385 0.173 1.00 0.28 H new ATOM 0 HG CYS A 286 6.267 -3.324 1.175 1.00 1.00 H new ATOM 1249 N VAL A 287 5.617 -2.401 -3.330 1.00 0.20 N ATOM 1250 CA VAL A 287 6.624 -2.687 -4.326 1.00 0.21 C ATOM 1251 C VAL A 287 7.558 -1.503 -4.622 1.00 0.22 C ATOM 1252 O VAL A 287 7.151 -0.346 -4.745 1.00 0.24 O ATOM 1253 CB VAL A 287 5.949 -3.233 -5.620 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.490 -3.582 -5.337 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.055 -2.271 -6.794 1.00 0.27 C ATOM 0 H VAL A 287 5.243 -1.452 -3.343 1.00 0.20 H new ATOM 0 HA VAL A 287 7.274 -3.457 -3.910 1.00 0.21 H new ATOM 0 HB VAL A 287 6.490 -4.133 -5.912 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.024 -3.963 -6.246 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.442 -4.343 -4.558 1.00 0.18 H new ATOM 0 HG13 VAL A 287 3.960 -2.689 -5.005 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.567 -2.706 -7.666 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.569 -1.330 -6.538 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.105 -2.087 -7.020 1.00 0.27 H new ATOM 1265 N VAL A 288 8.829 -1.821 -4.771 1.00 0.24 N ATOM 1266 CA VAL A 288 9.830 -0.836 -5.136 1.00 0.26 C ATOM 1267 C VAL A 288 10.845 -1.497 -6.060 1.00 0.33 C ATOM 1268 O VAL A 288 11.592 -2.377 -5.634 1.00 0.37 O ATOM 1269 CB VAL A 288 10.569 -0.257 -3.902 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.654 0.711 -4.333 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.609 0.451 -2.959 1.00 0.36 C ATOM 0 H VAL A 288 9.196 -2.764 -4.643 1.00 0.24 H new ATOM 0 HA VAL A 288 9.322 -0.008 -5.630 1.00 0.26 H new ATOM 0 HB VAL A 288 11.020 -1.097 -3.373 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.160 1.106 -3.452 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.375 0.192 -4.964 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.207 1.532 -4.893 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.161 0.844 -2.105 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.121 1.272 -3.485 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.855 -0.255 -2.610 1.00 0.36 H new ATOM 1281 N GLY A 289 10.819 -1.126 -7.331 1.00 0.43 N ATOM 1282 CA GLY A 289 11.718 -1.730 -8.298 1.00 0.57 C ATOM 1283 C GLY A 289 11.477 -3.218 -8.479 1.00 0.73 C ATOM 1284 O GLY A 289 12.418 -4.011 -8.452 1.00 1.51 O ATOM 0 H GLY A 289 10.192 -0.418 -7.712 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.600 -1.228 -9.259 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.748 -1.570 -7.979 1.00 0.57 H new ATOM 1288 N GLY A 290 10.222 -3.599 -8.685 1.00 0.41 N ATOM 1289 CA GLY A 290 9.895 -4.995 -8.912 1.00 0.41 C ATOM 1290 C GLY A 290 9.597 -5.758 -7.631 1.00 0.37 C ATOM 1291 O GLY A 290 8.739 -6.642 -7.621 1.00 0.64 O ATOM 0 H GLY A 290 9.423 -2.965 -8.699 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.030 -5.056 -9.573 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.725 -5.476 -9.429 1.00 0.41 H new ATOM 1295 N GLU A 291 10.313 -5.427 -6.560 1.00 0.27 N ATOM 1296 CA GLU A 291 10.135 -6.088 -5.273 1.00 0.22 C ATOM 1297 C GLU A 291 8.723 -5.857 -4.749 1.00 0.16 C ATOM 1298 O GLU A 291 8.308 -4.720 -4.651 1.00 0.19 O ATOM 1299 CB GLU A 291 11.164 -5.537 -4.273 1.00 0.26 C ATOM 1300 CG GLU A 291 12.600 -5.857 -4.652 1.00 0.53 C ATOM 1301 CD GLU A 291 13.615 -5.036 -3.882 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.218 -4.093 -3.167 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.825 -5.314 -4.013 1.00 2.11 O ATOM 0 H GLU A 291 11.027 -4.699 -6.560 1.00 0.27 H new ATOM 0 HA GLU A 291 10.285 -7.160 -5.397 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.047 -4.456 -4.200 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.956 -5.947 -3.285 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.789 -6.916 -4.475 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.735 -5.683 -5.719 1.00 0.53 H new ATOM 1310 N LYS A 292 8.007 -6.927 -4.391 1.00 0.18 N ATOM 1311 CA LYS A 292 6.637 -6.811 -3.858 1.00 0.16 C ATOM 1312 C LYS A 292 6.453 -7.649 -2.586 1.00 0.17 C ATOM 1313 O LYS A 292 6.920 -8.785 -2.501 1.00 0.29 O ATOM 1314 CB LYS A 292 5.608 -7.205 -4.917 1.00 0.18 C ATOM 1315 CG LYS A 292 5.949 -8.468 -5.673 1.00 0.23 C ATOM 1316 CD LYS A 292 4.876 -8.789 -6.689 1.00 0.29 C ATOM 1317 CE LYS A 292 5.411 -9.669 -7.805 1.00 0.49 C ATOM 1318 NZ LYS A 292 6.138 -10.862 -7.290 1.00 1.33 N ATOM 0 H LYS A 292 8.349 -7.885 -4.459 1.00 0.18 H new ATOM 0 HA LYS A 292 6.476 -5.766 -3.591 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.639 -7.334 -4.435 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.504 -6.386 -5.629 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.909 -8.349 -6.176 1.00 0.23 H new ATOM 0 HG3 LYS A 292 6.056 -9.298 -4.975 1.00 0.23 H new ATOM 0 HD2 LYS A 292 4.044 -9.292 -6.195 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.484 -7.863 -7.110 1.00 0.29 H new ATOM 0 HE2 LYS A 292 4.583 -9.995 -8.435 1.00 0.49 H new ATOM 0 HE3 LYS A 292 6.080 -9.084 -8.436 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 6.305 -11.530 -8.070 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 7.049 -10.566 -6.886 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 5.568 -11.325 -6.554 1.00 1.33 H new ATOM 1332 N CYS A 293 5.762 -7.068 -1.607 1.00 0.16 N ATOM 1333 CA CYS A 293 5.458 -7.730 -0.335 1.00 0.18 C ATOM 1334 C CYS A 293 3.961 -7.674 -0.110 1.00 0.15 C ATOM 1335 O CYS A 293 3.357 -6.622 -0.302 1.00 0.14 O ATOM 1336 CB CYS A 293 6.185 -7.046 0.822 1.00 0.28 C ATOM 1337 SG CYS A 293 7.976 -7.268 0.813 1.00 1.55 S ATOM 0 H CYS A 293 5.394 -6.119 -1.672 1.00 0.16 H new ATOM 0 HA CYS A 293 5.795 -8.766 -0.377 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.963 -5.979 0.794 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.788 -7.430 1.762 1.00 0.28 H new ATOM 0 HG CYS A 293 8.495 -6.649 1.831 1.00 1.55 H new ATOM 1343 N SER A 294 3.342 -8.821 0.115 1.00 0.17 N ATOM 1344 CA SER A 294 1.889 -8.890 0.109 1.00 0.18 C ATOM 1345 C SER A 294 1.275 -8.474 1.434 1.00 0.17 C ATOM 1346 O SER A 294 1.646 -8.975 2.495 1.00 0.20 O ATOM 1347 CB SER A 294 1.417 -10.296 -0.277 1.00 0.27 C ATOM 1348 OG SER A 294 1.928 -11.277 0.606 1.00 0.61 O ATOM 0 H SER A 294 3.814 -9.706 0.302 1.00 0.17 H new ATOM 0 HA SER A 294 1.546 -8.176 -0.640 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.328 -10.330 -0.269 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.735 -10.521 -1.295 1.00 0.27 H new ATOM 0 HG SER A 294 1.913 -10.931 1.523 1.00 0.61 H new ATOM 1354 N THR A 295 0.240 -7.663 1.342 1.00 0.17 N ATOM 1355 CA THR A 295 -0.550 -7.306 2.491 1.00 0.15 C ATOM 1356 C THR A 295 -2.022 -7.449 2.123 1.00 0.15 C ATOM 1357 O THR A 295 -2.429 -7.084 1.014 1.00 0.15 O ATOM 1358 CB THR A 295 -0.219 -5.874 2.982 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.020 -5.894 4.399 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.314 -4.871 2.637 1.00 0.20 C ATOM 0 H THR A 295 -0.072 -7.237 0.469 1.00 0.17 H new ATOM 0 HA THR A 295 -0.317 -7.974 3.320 1.00 0.15 H new ATOM 0 HB THR A 295 0.688 -5.553 2.470 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.213 -5.007 4.769 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.032 -3.884 3.003 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.445 -4.833 1.556 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.249 -5.178 3.105 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.767 -8.159 2.951 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.139 -8.480 2.620 1.00 0.15 C ATOM 1370 C GLU A 296 -5.033 -7.291 2.908 1.00 0.14 C ATOM 1371 O GLU A 296 -4.742 -6.477 3.787 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.587 -9.725 3.376 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.574 -10.850 3.275 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.024 -12.114 3.963 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.110 -12.623 3.623 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -3.307 -12.593 4.864 1.00 0.76 O ATOM 0 H GLU A 296 -2.447 -8.521 3.849 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.213 -8.701 1.555 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.746 -9.474 4.425 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.545 -10.064 2.981 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.381 -11.064 2.224 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -2.631 -10.522 3.711 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.013 -7.097 2.055 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.847 -5.925 2.126 1.00 0.15 C ATOM 1385 C LEU A 297 -8.268 -6.281 2.523 1.00 0.15 C ATOM 1386 O LEU A 297 -8.988 -6.942 1.769 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.846 -5.200 0.787 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.530 -3.842 0.807 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.854 -2.948 1.828 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.494 -3.214 -0.573 1.00 0.29 C ATOM 0 H LEU A 297 -6.251 -7.741 1.301 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.437 -5.267 2.893 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.815 -5.069 0.459 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.338 -5.830 0.046 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.575 -3.968 1.091 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.345 -1.975 1.841 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.926 -3.404 2.815 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.805 -2.821 1.562 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.987 -2.242 -0.544 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.458 -3.086 -0.887 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -8.011 -3.862 -1.281 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.669 -5.743 3.660 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.020 -5.867 4.180 1.00 0.19 C ATOM 1404 C PHE A 298 -10.634 -4.477 4.240 1.00 0.19 C ATOM 1405 O PHE A 298 -9.907 -3.489 4.287 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.023 -6.498 5.579 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.429 -7.882 5.642 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.067 -8.070 5.475 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.234 -8.994 5.846 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.518 -9.338 5.514 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.690 -10.262 5.889 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.338 -10.435 5.795 1.00 0.45 C ATOM 0 H PHE A 298 -8.052 -5.196 4.261 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.599 -6.517 3.524 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.471 -5.848 6.258 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.050 -6.540 5.943 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.426 -7.216 5.312 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.299 -8.866 5.973 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.464 -9.480 5.329 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.336 -11.121 5.997 1.00 0.58 H new ATOM 0 HZ PHE A 298 -7.905 -11.414 5.937 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.938 -4.372 4.097 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.562 -3.064 4.061 1.00 0.28 C ATOM 1424 C VAL A 299 -13.702 -2.938 5.074 1.00 0.32 C ATOM 1425 O VAL A 299 -14.523 -3.844 5.233 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.059 -2.718 2.646 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -13.934 -3.823 2.084 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.784 -1.382 2.652 1.00 0.35 C ATOM 0 H VAL A 299 -12.578 -5.161 4.005 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.792 -2.345 4.342 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.193 -2.630 1.990 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.269 -3.549 1.084 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.362 -4.750 2.034 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.800 -3.966 2.730 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.130 -1.151 1.644 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.639 -1.435 3.326 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.104 -0.600 2.990 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.733 -1.798 5.750 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.758 -1.484 6.729 1.00 0.41 C ATOM 1440 C LYS A 300 -15.799 -0.557 6.117 1.00 0.40 C ATOM 1441 O LYS A 300 -15.449 0.497 5.581 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.117 -0.798 7.934 1.00 0.48 C ATOM 1443 CG LYS A 300 -13.212 -1.707 8.751 1.00 1.17 C ATOM 1444 CD LYS A 300 -12.465 -0.933 9.829 1.00 1.72 C ATOM 1445 CE LYS A 300 -11.543 0.120 9.228 1.00 2.32 C ATOM 1446 NZ LYS A 300 -10.815 0.891 10.271 1.00 3.03 N ATOM 0 H LYS A 300 -13.039 -1.060 5.631 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.243 -2.408 7.045 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.538 0.058 7.587 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.904 -0.410 8.580 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -13.808 -2.494 9.214 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -12.496 -2.196 8.091 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -13.182 -0.452 10.495 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -11.881 -1.625 10.436 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -10.823 -0.364 8.568 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -12.128 0.805 8.614 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -10.200 1.596 9.816 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -11.500 1.375 10.886 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -10.235 0.242 10.841 1.00 3.03 H new ATOM 1460 N GLU A 301 -17.068 -0.925 6.239 1.00 0.50 N ATOM 1461 CA GLU A 301 -18.163 -0.096 5.744 1.00 0.57 C ATOM 1462 C GLU A 301 -18.276 1.188 6.559 1.00 0.65 C ATOM 1463 O GLU A 301 -18.875 2.163 6.065 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.489 -0.855 5.815 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.570 -2.026 4.858 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.812 -2.866 5.060 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.068 -3.287 6.208 1.00 1.21 O ATOM 1468 OE2 GLU A 301 -21.550 -3.096 4.080 1.00 1.44 O ATOM 1469 OXT GLU A 301 -17.782 1.208 7.705 1.00 1.20 O ATOM 0 H GLU A 301 -17.367 -1.796 6.678 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.947 0.155 4.705 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.636 -1.217 6.832 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.305 -0.165 5.601 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.552 -1.654 3.834 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.688 -2.654 4.985 1.00 0.66 H new