USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 614 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 274 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 276 MET CE :methyl -137:sc= -0.883 (180deg=-3.18!) USER MOD Single : A 263 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 TYR OH : rot 180:sc= 0 USER MOD Single : A 269 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 271 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 277 GLN : amide:sc= -0.0997 X(o=-0.1,f=-0.1) USER MOD Single : A 280 CYS SG : rot 35:sc= -1.26 USER MOD Single : A 283 GLN : amide:sc= -4.52 K(o=-4.5,f=-9.9!) USER MOD Single : A 289 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-4.6!) USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 315 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 320 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 322 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0.476) USER MOD Single : A 325 SER OG : rot 180:sc= 0 USER MOD Single : A 327 THR OG1 : rot 57:sc= -0.0231 USER MOD Single : A 329 THR OG1 : rot 180:sc= 0 USER MOD Single : A 330 LYS NZ :NH3+ 164:sc= -0.027 (180deg=-0.237) USER MOD Single : A 331 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 SER OG : rot 82:sc= 0.936 USER MOD Single : A 335 MET CE :methyl 154:sc= -0.263 (180deg=-1.28) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= -0.278 K(o=-0.28,f=-4!) USER MOD Single : A 342 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 260 8.604 15.155 0.250 1.00 0.00 N ATOM 67 CA GLU A 260 8.460 14.967 1.688 1.00 0.00 C ATOM 68 C GLU A 260 7.340 13.978 1.999 1.00 0.00 C ATOM 69 O GLU A 260 7.545 12.995 2.709 1.00 0.00 O ATOM 70 CB GLU A 260 8.179 16.305 2.375 1.00 0.00 C ATOM 71 CG GLU A 260 9.339 17.284 2.299 1.00 0.00 C ATOM 72 CD GLU A 260 10.333 17.098 3.429 1.00 0.00 C ATOM 73 OE1 GLU A 260 10.553 15.939 3.840 1.00 0.00 O ATOM 74 OE2 GLU A 260 10.892 18.110 3.901 1.00 0.00 O ATOM 0 HA GLU A 260 9.396 14.560 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 260 7.300 16.760 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 260 7.937 16.122 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 260 9.852 17.161 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 260 8.952 18.303 2.324 1.00 0.00 H new ATOM 81 N GLU A 261 6.154 14.249 1.460 1.00 0.00 N ATOM 82 CA GLU A 261 5.001 13.384 1.681 1.00 0.00 C ATOM 83 C GLU A 261 4.570 12.710 0.381 1.00 0.00 C ATOM 84 O GLU A 261 4.769 13.233 -0.715 1.00 0.00 O ATOM 85 CB GLU A 261 3.836 14.188 2.261 1.00 0.00 C ATOM 86 CG GLU A 261 4.062 14.639 3.695 1.00 0.00 C ATOM 87 CD GLU A 261 3.151 15.782 4.098 1.00 0.00 C ATOM 88 OE1 GLU A 261 1.946 15.722 3.773 1.00 0.00 O ATOM 89 OE2 GLU A 261 3.641 16.736 4.737 1.00 0.00 O ATOM 0 H GLU A 261 5.968 15.059 0.869 1.00 0.00 H new ATOM 0 HA GLU A 261 5.290 12.611 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 261 3.664 15.064 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 261 2.931 13.583 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 261 3.900 13.796 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 261 5.101 14.947 3.815 1.00 0.00 H new ATOM 96 N PRO A 262 3.966 11.519 0.506 1.00 0.00 N ATOM 97 CA PRO A 262 3.494 10.746 -0.648 1.00 0.00 C ATOM 98 C PRO A 262 2.293 11.395 -1.328 1.00 0.00 C ATOM 99 O PRO A 262 1.671 12.304 -0.778 1.00 0.00 O ATOM 100 CB PRO A 262 3.100 9.400 -0.036 1.00 0.00 C ATOM 101 CG PRO A 262 2.780 9.709 1.386 1.00 0.00 C ATOM 102 CD PRO A 262 3.696 10.834 1.781 1.00 0.00 C ATOM 0 HA PRO A 262 4.254 10.669 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 262 2.241 8.968 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 262 3.913 8.678 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 262 1.735 9.999 1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 262 2.937 8.836 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 262 3.225 11.501 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 262 4.613 10.463 2.240 1.00 0.00 H new ATOM 110 N THR A 263 1.971 10.921 -2.528 1.00 0.00 N ATOM 111 CA THR A 263 0.845 11.455 -3.283 1.00 0.00 C ATOM 112 C THR A 263 -0.280 10.432 -3.390 1.00 0.00 C ATOM 113 O THR A 263 -0.031 9.239 -3.563 1.00 0.00 O ATOM 114 CB THR A 263 1.271 11.883 -4.700 1.00 0.00 C ATOM 115 OG1 THR A 263 2.378 12.789 -4.626 1.00 0.00 O ATOM 116 CG2 THR A 263 0.116 12.545 -5.436 1.00 0.00 C ATOM 0 H THR A 263 2.475 10.168 -2.997 1.00 0.00 H new ATOM 0 HA THR A 263 0.487 12.329 -2.740 1.00 0.00 H new ATOM 0 HB THR A 263 1.568 10.991 -5.251 1.00 0.00 H new ATOM 0 HG1 THR A 263 2.644 13.055 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 263 0.441 12.839 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 263 -0.714 11.843 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 263 -0.208 13.428 -4.885 1.00 0.00 H new ATOM 124 N ILE A 264 -1.517 10.907 -3.287 1.00 0.00 N ATOM 125 CA ILE A 264 -2.680 10.032 -3.374 1.00 0.00 C ATOM 126 C ILE A 264 -2.955 9.627 -4.818 1.00 0.00 C ATOM 127 O ILE A 264 -2.911 10.456 -5.726 1.00 0.00 O ATOM 128 CB ILE A 264 -3.936 10.707 -2.793 1.00 0.00 C ATOM 129 CG1 ILE A 264 -3.725 11.041 -1.315 1.00 0.00 C ATOM 130 CG2 ILE A 264 -5.150 9.807 -2.970 1.00 0.00 C ATOM 131 CD1 ILE A 264 -4.731 12.031 -0.770 1.00 0.00 C ATOM 0 H ILE A 264 -1.740 11.892 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.452 9.142 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 264 -4.114 11.636 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.779 10.122 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.721 11.444 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -6.030 10.298 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -5.309 9.615 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -4.982 8.863 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.521 12.221 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -4.662 12.965 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -5.736 11.621 -0.871 1.00 0.00 H new ATOM 143 N GLY A 265 -3.242 8.345 -5.023 1.00 0.00 N ATOM 144 CA GLY A 265 -3.523 7.852 -6.358 1.00 0.00 C ATOM 145 C GLY A 265 -2.275 7.379 -7.076 1.00 0.00 C ATOM 146 O GLY A 265 -2.358 6.743 -8.127 1.00 0.00 O ATOM 0 H GLY A 265 -3.285 7.639 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -4.236 7.030 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -3.997 8.642 -6.941 1.00 0.00 H new ATOM 150 N ASP A 266 -1.114 7.691 -6.509 1.00 0.00 N ATOM 151 CA ASP A 266 0.157 7.294 -7.102 1.00 0.00 C ATOM 152 C ASP A 266 0.633 5.963 -6.528 1.00 0.00 C ATOM 153 O ASP A 266 0.259 5.586 -5.417 1.00 0.00 O ATOM 154 CB ASP A 266 1.215 8.373 -6.864 1.00 0.00 C ATOM 155 CG ASP A 266 1.249 9.405 -7.974 1.00 0.00 C ATOM 156 OD1 ASP A 266 1.456 9.013 -9.142 1.00 0.00 O ATOM 157 OD2 ASP A 266 1.068 10.603 -7.675 1.00 0.00 O ATOM 0 H ASP A 266 -1.028 8.218 -5.640 1.00 0.00 H new ATOM 0 HA ASP A 266 0.007 7.174 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 266 1.015 8.871 -5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 266 2.195 7.904 -6.778 1.00 0.00 H new ATOM 162 N ILE A 267 1.457 5.255 -7.293 1.00 0.00 N ATOM 163 CA ILE A 267 1.983 3.966 -6.860 1.00 0.00 C ATOM 164 C ILE A 267 3.430 4.092 -6.395 1.00 0.00 C ATOM 165 O ILE A 267 4.240 4.768 -7.028 1.00 0.00 O ATOM 166 CB ILE A 267 1.907 2.920 -7.987 1.00 0.00 C ATOM 167 CG1 ILE A 267 0.450 2.658 -8.372 1.00 0.00 C ATOM 168 CG2 ILE A 267 2.588 1.629 -7.558 1.00 0.00 C ATOM 169 CD1 ILE A 267 0.295 1.865 -9.651 1.00 0.00 C ATOM 0 H ILE A 267 1.775 5.552 -8.216 1.00 0.00 H new ATOM 0 HA ILE A 267 1.363 3.635 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 267 2.429 3.310 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 267 -0.041 2.122 -7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -0.066 3.612 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 267 2.526 0.899 -8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 267 3.635 1.829 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 267 2.092 1.233 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -0.764 1.717 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 267 0.756 2.410 -10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 267 0.781 0.896 -9.539 1.00 0.00 H new ATOM 181 N TYR A 268 3.747 3.434 -5.285 1.00 0.00 N ATOM 182 CA TYR A 268 5.097 3.471 -4.734 1.00 0.00 C ATOM 183 C TYR A 268 5.554 2.077 -4.316 1.00 0.00 C ATOM 184 O TYR A 268 4.743 1.162 -4.178 1.00 0.00 O ATOM 185 CB TYR A 268 5.154 4.420 -3.535 1.00 0.00 C ATOM 186 CG TYR A 268 4.998 5.877 -3.908 1.00 0.00 C ATOM 187 CD1 TYR A 268 3.748 6.412 -4.192 1.00 0.00 C ATOM 188 CD2 TYR A 268 6.102 6.719 -3.976 1.00 0.00 C ATOM 189 CE1 TYR A 268 3.601 7.742 -4.534 1.00 0.00 C ATOM 190 CE2 TYR A 268 5.964 8.051 -4.316 1.00 0.00 C ATOM 191 CZ TYR A 268 4.712 8.558 -4.594 1.00 0.00 C ATOM 192 OH TYR A 268 4.570 9.884 -4.933 1.00 0.00 O ATOM 0 H TYR A 268 3.088 2.869 -4.749 1.00 0.00 H new ATOM 0 HA TYR A 268 5.769 3.835 -5.511 1.00 0.00 H new ATOM 0 HB2 TYR A 268 4.369 4.148 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 268 6.105 4.285 -3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 268 2.876 5.777 -4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 268 7.084 6.325 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 268 2.622 8.141 -4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 268 6.832 8.692 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 268 5.448 10.319 -4.928 1.00 0.00 H new ATOM 202 N ASN A 269 6.859 1.925 -4.115 1.00 0.00 N ATOM 203 CA ASN A 269 7.425 0.643 -3.712 1.00 0.00 C ATOM 204 C ASN A 269 7.552 0.557 -2.194 1.00 0.00 C ATOM 205 O ASN A 269 7.806 1.557 -1.524 1.00 0.00 O ATOM 206 CB ASN A 269 8.796 0.440 -4.361 1.00 0.00 C ATOM 207 CG ASN A 269 8.840 0.951 -5.789 1.00 0.00 C ATOM 208 OD1 ASN A 269 9.532 1.922 -6.091 1.00 0.00 O ATOM 209 ND2 ASN A 269 8.098 0.296 -6.674 1.00 0.00 N ATOM 0 H ASN A 269 7.544 2.673 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 269 6.751 -0.145 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 269 9.554 0.954 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 269 9.047 -0.621 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 269 8.087 0.593 -7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 269 7.539 -0.505 -6.378 1.00 0.00 H new ATOM 216 N GLY A 270 7.374 -0.647 -1.657 1.00 0.00 N ATOM 217 CA GLY A 270 7.473 -0.841 -0.223 1.00 0.00 C ATOM 218 C GLY A 270 7.878 -2.255 0.144 1.00 0.00 C ATOM 219 O GLY A 270 8.099 -3.093 -0.731 1.00 0.00 O ATOM 0 H GLY A 270 7.163 -1.491 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 270 8.201 -0.140 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 270 6.513 -0.610 0.239 1.00 0.00 H new ATOM 223 N LYS A 271 7.979 -2.522 1.442 1.00 0.00 N ATOM 224 CA LYS A 271 8.362 -3.844 1.924 1.00 0.00 C ATOM 225 C LYS A 271 7.639 -4.179 3.224 1.00 0.00 C ATOM 226 O LYS A 271 7.465 -3.320 4.089 1.00 0.00 O ATOM 227 CB LYS A 271 9.876 -3.913 2.137 1.00 0.00 C ATOM 228 CG LYS A 271 10.355 -5.254 2.665 1.00 0.00 C ATOM 229 CD LYS A 271 11.872 -5.339 2.677 1.00 0.00 C ATOM 230 CE LYS A 271 12.448 -4.845 3.995 1.00 0.00 C ATOM 231 NZ LYS A 271 13.864 -4.404 3.851 1.00 0.00 N ATOM 0 H LYS A 271 7.801 -1.840 2.179 1.00 0.00 H new ATOM 0 HA LYS A 271 8.074 -4.576 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 271 10.377 -3.704 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 271 10.172 -3.130 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 271 9.973 -5.406 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 271 9.950 -6.055 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 271 12.181 -6.371 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 271 12.277 -4.746 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 271 11.845 -4.016 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 271 12.389 -5.640 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 14.220 -4.075 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 14.444 -5.201 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 13.917 -3.628 3.161 1.00 0.00 H new ATOM 245 N VAL A 272 7.222 -5.434 3.358 1.00 0.00 N ATOM 246 CA VAL A 272 6.520 -5.883 4.554 1.00 0.00 C ATOM 247 C VAL A 272 7.450 -5.903 5.762 1.00 0.00 C ATOM 248 O VAL A 272 8.340 -6.748 5.862 1.00 0.00 O ATOM 249 CB VAL A 272 5.920 -7.288 4.359 1.00 0.00 C ATOM 250 CG1 VAL A 272 5.572 -7.912 5.702 1.00 0.00 C ATOM 251 CG2 VAL A 272 4.696 -7.224 3.458 1.00 0.00 C ATOM 0 H VAL A 272 7.358 -6.158 2.653 1.00 0.00 H new ATOM 0 HA VAL A 272 5.712 -5.173 4.732 1.00 0.00 H new ATOM 0 HB VAL A 272 6.666 -7.919 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.149 -8.904 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 272 6.473 -7.994 6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 272 4.844 -7.285 6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.285 -8.225 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 272 3.944 -6.578 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 272 4.981 -6.823 2.485 1.00 0.00 H new ATOM 261 N THR A 273 7.238 -4.965 6.680 1.00 0.00 N ATOM 262 CA THR A 273 8.058 -4.873 7.882 1.00 0.00 C ATOM 263 C THR A 273 7.587 -5.859 8.945 1.00 0.00 C ATOM 264 O THR A 273 8.396 -6.433 9.674 1.00 0.00 O ATOM 265 CB THR A 273 8.033 -3.450 8.472 1.00 0.00 C ATOM 266 OG1 THR A 273 6.706 -3.118 8.894 1.00 0.00 O ATOM 267 CG2 THR A 273 8.515 -2.432 7.449 1.00 0.00 C ATOM 0 H THR A 273 6.505 -4.258 6.614 1.00 0.00 H new ATOM 0 HA THR A 273 9.078 -5.119 7.588 1.00 0.00 H new ATOM 0 HB THR A 273 8.704 -3.424 9.331 1.00 0.00 H new ATOM 0 HG1 THR A 273 6.699 -2.213 9.269 1.00 0.00 H new ATOM 0 HG21 THR A 273 8.489 -1.435 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 273 9.536 -2.671 7.151 1.00 0.00 H new ATOM 0 HG23 THR A 273 7.866 -2.460 6.574 1.00 0.00 H new ATOM 275 N SER A 274 6.275 -6.052 9.027 1.00 0.00 N ATOM 276 CA SER A 274 5.696 -6.968 10.003 1.00 0.00 C ATOM 277 C SER A 274 4.370 -7.530 9.501 1.00 0.00 C ATOM 278 O SER A 274 3.561 -6.812 8.913 1.00 0.00 O ATOM 279 CB SER A 274 5.487 -6.255 11.341 1.00 0.00 C ATOM 280 OG SER A 274 5.601 -7.161 12.425 1.00 0.00 O ATOM 0 H SER A 274 5.592 -5.586 8.429 1.00 0.00 H new ATOM 0 HA SER A 274 6.391 -7.796 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 274 6.222 -5.458 11.450 1.00 0.00 H new ATOM 0 HB3 SER A 274 4.503 -5.786 11.357 1.00 0.00 H new ATOM 0 HG SER A 274 5.465 -6.681 13.268 1.00 0.00 H new ATOM 286 N ILE A 275 4.154 -8.820 9.738 1.00 0.00 N ATOM 287 CA ILE A 275 2.926 -9.480 9.311 1.00 0.00 C ATOM 288 C ILE A 275 1.977 -9.687 10.486 1.00 0.00 C ATOM 289 O ILE A 275 2.332 -10.322 11.479 1.00 0.00 O ATOM 290 CB ILE A 275 3.218 -10.842 8.655 1.00 0.00 C ATOM 291 CG1 ILE A 275 4.122 -10.661 7.433 1.00 0.00 C ATOM 292 CG2 ILE A 275 1.919 -11.529 8.261 1.00 0.00 C ATOM 293 CD1 ILE A 275 5.569 -10.400 7.786 1.00 0.00 C ATOM 0 H ILE A 275 4.813 -9.429 10.223 1.00 0.00 H new ATOM 0 HA ILE A 275 2.455 -8.826 8.577 1.00 0.00 H new ATOM 0 HB ILE A 275 3.736 -11.473 9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 275 4.063 -11.555 6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 275 3.747 -9.831 6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 275 2.142 -12.491 7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 275 1.307 -11.686 9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 275 1.376 -10.903 7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 275 6.151 -10.282 6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 275 5.640 -9.490 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 275 5.961 -11.240 8.360 1.00 0.00 H new ATOM 305 N MET A 276 0.768 -9.149 10.365 1.00 0.00 N ATOM 306 CA MET A 276 -0.235 -9.279 11.417 1.00 0.00 C ATOM 307 C MET A 276 -1.402 -10.143 10.952 1.00 0.00 C ATOM 308 O MET A 276 -1.676 -10.239 9.756 1.00 0.00 O ATOM 309 CB MET A 276 -0.743 -7.899 11.839 1.00 0.00 C ATOM 310 CG MET A 276 0.208 -7.158 12.764 1.00 0.00 C ATOM 311 SD MET A 276 1.821 -6.867 12.014 1.00 0.00 S ATOM 312 CE MET A 276 2.575 -5.796 13.236 1.00 0.00 C ATOM 0 H MET A 276 0.459 -8.619 9.550 1.00 0.00 H new ATOM 0 HA MET A 276 0.233 -9.764 12.274 1.00 0.00 H new ATOM 0 HB2 MET A 276 -0.914 -7.295 10.947 1.00 0.00 H new ATOM 0 HB3 MET A 276 -1.706 -8.012 12.336 1.00 0.00 H new ATOM 0 HG2 MET A 276 -0.235 -6.203 13.045 1.00 0.00 H new ATOM 0 HG3 MET A 276 0.337 -7.732 13.682 1.00 0.00 H new ATOM 0 HE1 MET A 276 3.096 -4.981 12.734 1.00 0.00 H new ATOM 0 HE2 MET A 276 1.803 -5.387 13.887 1.00 0.00 H new ATOM 0 HE3 MET A 276 3.286 -6.368 13.832 1.00 0.00 H new ATOM 322 N GLN A 277 -2.085 -10.770 11.904 1.00 0.00 N ATOM 323 CA GLN A 277 -3.222 -11.627 11.590 1.00 0.00 C ATOM 324 C GLN A 277 -4.258 -10.875 10.761 1.00 0.00 C ATOM 325 O GLN A 277 -4.927 -11.458 9.908 1.00 0.00 O ATOM 326 CB GLN A 277 -3.863 -12.150 12.877 1.00 0.00 C ATOM 327 CG GLN A 277 -4.934 -13.203 12.638 1.00 0.00 C ATOM 328 CD GLN A 277 -4.386 -14.455 11.982 1.00 0.00 C ATOM 329 OE1 GLN A 277 -4.594 -14.687 10.791 1.00 0.00 O ATOM 330 NE2 GLN A 277 -3.682 -15.270 12.759 1.00 0.00 N ATOM 0 H GLN A 277 -1.871 -10.701 12.899 1.00 0.00 H new ATOM 0 HA GLN A 277 -2.858 -12.471 11.004 1.00 0.00 H new ATOM 0 HB2 GLN A 277 -3.086 -12.572 13.515 1.00 0.00 H new ATOM 0 HB3 GLN A 277 -4.302 -11.313 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -5.396 -13.468 13.589 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -5.718 -12.782 12.009 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -3.535 -15.037 13.741 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -3.289 -16.129 12.374 1.00 0.00 H new ATOM 339 N PHE A 278 -4.386 -9.578 11.018 1.00 0.00 N ATOM 340 CA PHE A 278 -5.342 -8.746 10.296 1.00 0.00 C ATOM 341 C PHE A 278 -4.772 -8.306 8.951 1.00 0.00 C ATOM 342 O PHE A 278 -5.392 -8.506 7.907 1.00 0.00 O ATOM 343 CB PHE A 278 -5.714 -7.519 11.131 1.00 0.00 C ATOM 344 CG PHE A 278 -4.599 -7.030 12.010 1.00 0.00 C ATOM 345 CD1 PHE A 278 -4.416 -7.558 13.277 1.00 0.00 C ATOM 346 CD2 PHE A 278 -3.733 -6.042 11.568 1.00 0.00 C ATOM 347 CE1 PHE A 278 -3.390 -7.111 14.089 1.00 0.00 C ATOM 348 CE2 PHE A 278 -2.705 -5.591 12.374 1.00 0.00 C ATOM 349 CZ PHE A 278 -2.534 -6.125 13.637 1.00 0.00 C ATOM 0 H PHE A 278 -3.840 -9.080 11.721 1.00 0.00 H new ATOM 0 HA PHE A 278 -6.238 -9.339 10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -6.018 -6.714 10.463 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -6.576 -7.761 11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -5.083 -8.328 13.635 1.00 0.00 H new ATOM 0 HD2 PHE A 278 -3.863 -5.620 10.582 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -3.258 -7.532 15.075 1.00 0.00 H new ATOM 0 HE2 PHE A 278 -2.036 -4.822 12.017 1.00 0.00 H new ATOM 0 HZ PHE A 278 -1.733 -5.772 14.270 1.00 0.00 H new ATOM 359 N GLY A 279 -3.587 -7.705 8.984 1.00 0.00 N ATOM 360 CA GLY A 279 -2.953 -7.245 7.762 1.00 0.00 C ATOM 361 C GLY A 279 -1.441 -7.311 7.833 1.00 0.00 C ATOM 362 O GLY A 279 -0.882 -8.033 8.660 1.00 0.00 O ATOM 0 H GLY A 279 -3.054 -7.528 9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 279 -3.301 -7.851 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 279 -3.260 -6.218 7.561 1.00 0.00 H new ATOM 366 N CYS A 280 -0.776 -6.558 6.963 1.00 0.00 N ATOM 367 CA CYS A 280 0.682 -6.537 6.929 1.00 0.00 C ATOM 368 C CYS A 280 1.200 -5.115 6.740 1.00 0.00 C ATOM 369 O CYS A 280 0.759 -4.396 5.843 1.00 0.00 O ATOM 370 CB CYS A 280 1.200 -7.434 5.804 1.00 0.00 C ATOM 371 SG CYS A 280 0.734 -6.883 4.146 1.00 0.00 S ATOM 0 H CYS A 280 -1.223 -5.955 6.273 1.00 0.00 H new ATOM 0 HA CYS A 280 1.049 -6.915 7.883 1.00 0.00 H new ATOM 0 HB2 CYS A 280 2.287 -7.485 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 280 0.824 -8.445 5.958 1.00 0.00 H new ATOM 0 HG CYS A 280 0.729 -5.584 4.106 1.00 0.00 H new ATOM 377 N PHE A 281 2.138 -4.714 7.593 1.00 0.00 N ATOM 378 CA PHE A 281 2.714 -3.377 7.522 1.00 0.00 C ATOM 379 C PHE A 281 3.765 -3.295 6.419 1.00 0.00 C ATOM 380 O PHE A 281 4.688 -4.108 6.362 1.00 0.00 O ATOM 381 CB PHE A 281 3.340 -2.996 8.866 1.00 0.00 C ATOM 382 CG PHE A 281 2.335 -2.556 9.891 1.00 0.00 C ATOM 383 CD1 PHE A 281 1.864 -1.253 9.904 1.00 0.00 C ATOM 384 CD2 PHE A 281 1.861 -3.445 10.843 1.00 0.00 C ATOM 385 CE1 PHE A 281 0.939 -0.844 10.846 1.00 0.00 C ATOM 386 CE2 PHE A 281 0.935 -3.042 11.787 1.00 0.00 C ATOM 387 CZ PHE A 281 0.475 -1.740 11.790 1.00 0.00 C ATOM 0 H PHE A 281 2.515 -5.296 8.341 1.00 0.00 H new ATOM 0 HA PHE A 281 1.913 -2.676 7.290 1.00 0.00 H new ATOM 0 HB2 PHE A 281 3.894 -3.850 9.255 1.00 0.00 H new ATOM 0 HB3 PHE A 281 4.061 -2.194 8.708 1.00 0.00 H new ATOM 0 HD1 PHE A 281 2.224 -0.548 9.169 1.00 0.00 H new ATOM 0 HD2 PHE A 281 2.219 -4.464 10.847 1.00 0.00 H new ATOM 0 HE1 PHE A 281 0.579 0.174 10.844 1.00 0.00 H new ATOM 0 HE2 PHE A 281 0.572 -3.745 12.522 1.00 0.00 H new ATOM 0 HZ PHE A 281 -0.246 -1.423 12.529 1.00 0.00 H new ATOM 397 N VAL A 282 3.617 -2.307 5.541 1.00 0.00 N ATOM 398 CA VAL A 282 4.552 -2.118 4.439 1.00 0.00 C ATOM 399 C VAL A 282 5.179 -0.728 4.482 1.00 0.00 C ATOM 400 O VAL A 282 4.475 0.281 4.463 1.00 0.00 O ATOM 401 CB VAL A 282 3.862 -2.315 3.077 1.00 0.00 C ATOM 402 CG1 VAL A 282 4.836 -2.046 1.940 1.00 0.00 C ATOM 403 CG2 VAL A 282 3.282 -3.718 2.972 1.00 0.00 C ATOM 0 H VAL A 282 2.858 -1.626 5.572 1.00 0.00 H new ATOM 0 HA VAL A 282 5.333 -2.870 4.555 1.00 0.00 H new ATOM 0 HB VAL A 282 3.043 -1.600 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 282 4.330 -2.190 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 282 5.199 -1.020 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 282 5.678 -2.734 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 282 2.798 -3.840 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 282 4.082 -4.451 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 282 2.550 -3.869 3.765 1.00 0.00 H new ATOM 413 N GLN A 283 6.506 -0.685 4.540 1.00 0.00 N ATOM 414 CA GLN A 283 7.227 0.581 4.586 1.00 0.00 C ATOM 415 C GLN A 283 7.598 1.048 3.182 1.00 0.00 C ATOM 416 O GLN A 283 8.089 0.266 2.366 1.00 0.00 O ATOM 417 CB GLN A 283 8.488 0.444 5.441 1.00 0.00 C ATOM 418 CG GLN A 283 9.403 1.656 5.375 1.00 0.00 C ATOM 419 CD GLN A 283 10.428 1.554 4.263 1.00 0.00 C ATOM 420 OE1 GLN A 283 10.322 0.701 3.381 1.00 0.00 O ATOM 421 NE2 GLN A 283 11.430 2.425 4.299 1.00 0.00 N ATOM 0 H GLN A 283 7.103 -1.512 4.556 1.00 0.00 H new ATOM 0 HA GLN A 283 6.572 1.327 5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 283 8.197 0.275 6.478 1.00 0.00 H new ATOM 0 HB3 GLN A 283 9.042 -0.437 5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 283 8.801 2.553 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 283 9.918 1.770 6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 283 11.479 3.115 5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 283 12.150 2.404 3.577 1.00 0.00 H new ATOM 430 N LEU A 284 7.360 2.326 2.907 1.00 0.00 N ATOM 431 CA LEU A 284 7.670 2.897 1.601 1.00 0.00 C ATOM 432 C LEU A 284 9.168 3.145 1.456 1.00 0.00 C ATOM 433 O LEU A 284 9.848 3.477 2.426 1.00 0.00 O ATOM 434 CB LEU A 284 6.903 4.205 1.400 1.00 0.00 C ATOM 435 CG LEU A 284 5.379 4.109 1.484 1.00 0.00 C ATOM 436 CD1 LEU A 284 4.761 5.496 1.583 1.00 0.00 C ATOM 437 CD2 LEU A 284 4.824 3.361 0.280 1.00 0.00 C ATOM 0 H LEU A 284 6.954 2.986 3.570 1.00 0.00 H new ATOM 0 HA LEU A 284 7.364 2.182 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.244 4.921 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 284 7.168 4.612 0.424 1.00 0.00 H new ATOM 0 HG LEU A 284 5.119 3.552 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 284 3.676 5.408 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 284 5.133 5.997 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 284 5.030 6.078 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 284 3.738 3.302 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 284 5.095 3.890 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 284 5.241 2.354 0.253 1.00 0.00 H new ATOM 449 N GLU A 285 9.674 2.984 0.237 1.00 0.00 N ATOM 450 CA GLU A 285 11.091 3.192 -0.034 1.00 0.00 C ATOM 451 C GLU A 285 11.288 4.249 -1.117 1.00 0.00 C ATOM 452 O GLU A 285 10.527 4.316 -2.081 1.00 0.00 O ATOM 453 CB GLU A 285 11.750 1.879 -0.463 1.00 0.00 C ATOM 454 CG GLU A 285 11.729 0.808 0.615 1.00 0.00 C ATOM 455 CD GLU A 285 12.830 -0.219 0.439 1.00 0.00 C ATOM 456 OE1 GLU A 285 12.715 -1.063 -0.474 1.00 0.00 O ATOM 457 OE2 GLU A 285 13.809 -0.177 1.214 1.00 0.00 O ATOM 0 H GLU A 285 9.124 2.710 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 285 11.562 3.544 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 285 11.242 1.500 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 285 12.784 2.077 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 285 11.830 1.280 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 285 10.762 0.304 0.603 1.00 0.00 H new ATOM 464 N GLY A 286 12.317 5.075 -0.949 1.00 0.00 N ATOM 465 CA GLY A 286 12.596 6.119 -1.919 1.00 0.00 C ATOM 466 C GLY A 286 12.340 7.507 -1.366 1.00 0.00 C ATOM 467 O GLY A 286 13.148 8.417 -1.553 1.00 0.00 O ATOM 0 H GLY A 286 12.962 5.040 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 286 13.635 6.045 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 286 11.978 5.964 -2.803 1.00 0.00 H new ATOM 471 N LEU A 287 11.211 7.672 -0.685 1.00 0.00 N ATOM 472 CA LEU A 287 10.849 8.960 -0.104 1.00 0.00 C ATOM 473 C LEU A 287 11.888 9.408 0.919 1.00 0.00 C ATOM 474 O LEU A 287 12.814 8.664 1.244 1.00 0.00 O ATOM 475 CB LEU A 287 9.471 8.875 0.555 1.00 0.00 C ATOM 476 CG LEU A 287 8.271 8.901 -0.393 1.00 0.00 C ATOM 477 CD1 LEU A 287 7.012 8.444 0.328 1.00 0.00 C ATOM 478 CD2 LEU A 287 8.080 10.294 -0.974 1.00 0.00 C ATOM 0 H LEU A 287 10.531 6.930 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 287 10.816 9.696 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 287 9.426 7.957 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 287 9.373 9.705 1.255 1.00 0.00 H new ATOM 0 HG LEU A 287 8.466 8.211 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 287 6.168 8.469 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 287 7.151 7.427 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 287 6.813 9.108 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 287 7.222 10.293 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 287 7.908 11.005 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 287 8.974 10.583 -1.527 1.00 0.00 H new ATOM 490 N ARG A 288 11.727 10.626 1.423 1.00 0.00 N ATOM 491 CA ARG A 288 12.650 11.173 2.411 1.00 0.00 C ATOM 492 C ARG A 288 12.227 10.785 3.824 1.00 0.00 C ATOM 493 O ARG A 288 13.044 10.336 4.628 1.00 0.00 O ATOM 494 CB ARG A 288 12.720 12.696 2.287 1.00 0.00 C ATOM 495 CG ARG A 288 13.461 13.173 1.048 1.00 0.00 C ATOM 496 CD ARG A 288 14.961 13.245 1.290 1.00 0.00 C ATOM 497 NE ARG A 288 15.653 13.963 0.223 1.00 0.00 N ATOM 498 CZ ARG A 288 16.943 13.806 -0.051 1.00 0.00 C ATOM 499 NH1 ARG A 288 17.677 12.960 0.658 1.00 0.00 N ATOM 500 NH2 ARG A 288 17.502 14.496 -1.038 1.00 0.00 N ATOM 0 H ARG A 288 10.966 11.254 1.164 1.00 0.00 H new ATOM 0 HA ARG A 288 13.638 10.754 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 288 11.707 13.098 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 288 13.210 13.102 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 288 13.257 12.497 0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 288 13.091 14.156 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 288 15.151 13.740 2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 288 15.364 12.235 1.369 1.00 0.00 H new ATOM 0 HE ARG A 288 15.116 14.621 -0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 288 17.251 12.427 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 288 18.667 12.842 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 288 16.941 15.147 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 288 18.493 14.375 -1.248 1.00 0.00 H new ATOM 514 N LYS A 289 10.944 10.963 4.122 1.00 0.00 N ATOM 515 CA LYS A 289 10.410 10.632 5.437 1.00 0.00 C ATOM 516 C LYS A 289 9.991 9.167 5.502 1.00 0.00 C ATOM 517 O LYS A 289 9.146 8.719 4.726 1.00 0.00 O ATOM 518 CB LYS A 289 9.215 11.530 5.766 1.00 0.00 C ATOM 519 CG LYS A 289 8.542 11.189 7.084 1.00 0.00 C ATOM 520 CD LYS A 289 7.585 12.285 7.522 1.00 0.00 C ATOM 521 CE LYS A 289 7.403 12.295 9.032 1.00 0.00 C ATOM 522 NZ LYS A 289 6.933 13.620 9.525 1.00 0.00 N ATOM 0 H LYS A 289 10.254 11.335 3.469 1.00 0.00 H new ATOM 0 HA LYS A 289 11.196 10.799 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 289 9.548 12.567 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 289 8.482 11.454 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 289 7.999 10.249 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 289 9.300 11.038 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 289 7.964 13.253 7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 289 6.619 12.140 7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 289 6.685 11.526 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 289 8.348 12.043 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 289 6.821 13.586 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 289 7.630 14.350 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 289 6.019 13.850 9.085 1.00 0.00 H new ATOM 536 N ARG A 290 10.586 8.426 6.431 1.00 0.00 N ATOM 537 CA ARG A 290 10.273 7.012 6.597 1.00 0.00 C ATOM 538 C ARG A 290 8.810 6.820 6.983 1.00 0.00 C ATOM 539 O ARG A 290 8.423 7.059 8.127 1.00 0.00 O ATOM 540 CB ARG A 290 11.179 6.389 7.661 1.00 0.00 C ATOM 541 CG ARG A 290 11.164 4.869 7.659 1.00 0.00 C ATOM 542 CD ARG A 290 11.981 4.303 8.809 1.00 0.00 C ATOM 543 NE ARG A 290 11.346 4.542 10.102 1.00 0.00 N ATOM 544 CZ ARG A 290 12.010 4.579 11.252 1.00 0.00 C ATOM 545 NH1 ARG A 290 13.322 4.394 11.270 1.00 0.00 N ATOM 546 NH2 ARG A 290 11.360 4.803 12.388 1.00 0.00 N ATOM 0 H ARG A 290 11.288 8.782 7.080 1.00 0.00 H new ATOM 0 HA ARG A 290 10.447 6.513 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 290 12.201 6.734 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 290 10.870 6.746 8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 290 10.136 4.514 7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 290 11.562 4.501 6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 290 12.116 3.231 8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 290 12.974 4.753 8.804 1.00 0.00 H new ATOM 0 HE ARG A 290 10.337 4.689 10.123 1.00 0.00 H new ATOM 0 HH11 ARG A 290 13.825 4.223 10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 290 13.829 4.423 12.155 1.00 0.00 H new ATOM 0 HH21 ARG A 290 10.350 4.947 12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 290 11.870 4.831 13.271 1.00 0.00 H new ATOM 560 N TRP A 291 8.002 6.388 6.022 1.00 0.00 N ATOM 561 CA TRP A 291 6.580 6.164 6.261 1.00 0.00 C ATOM 562 C TRP A 291 6.302 4.694 6.552 1.00 0.00 C ATOM 563 O TRP A 291 7.126 3.828 6.259 1.00 0.00 O ATOM 564 CB TRP A 291 5.760 6.622 5.054 1.00 0.00 C ATOM 565 CG TRP A 291 5.555 8.106 5.004 1.00 0.00 C ATOM 566 CD1 TRP A 291 5.895 8.946 3.982 1.00 0.00 C ATOM 567 CD2 TRP A 291 4.966 8.925 6.020 1.00 0.00 C ATOM 568 NE1 TRP A 291 5.552 10.238 4.302 1.00 0.00 N ATOM 569 CE2 TRP A 291 4.980 10.251 5.546 1.00 0.00 C ATOM 570 CE3 TRP A 291 4.426 8.666 7.283 1.00 0.00 C ATOM 571 CZ2 TRP A 291 4.475 11.313 6.292 1.00 0.00 C ATOM 572 CZ3 TRP A 291 3.926 9.721 8.022 1.00 0.00 C ATOM 573 CH2 TRP A 291 3.953 11.031 7.525 1.00 0.00 C ATOM 0 H TRP A 291 8.307 6.186 5.070 1.00 0.00 H new ATOM 0 HA TRP A 291 6.287 6.749 7.133 1.00 0.00 H new ATOM 0 HB2 TRP A 291 6.261 6.301 4.141 1.00 0.00 H new ATOM 0 HB3 TRP A 291 4.788 6.129 5.076 1.00 0.00 H new ATOM 0 HD1 TRP A 291 6.364 8.640 3.059 1.00 0.00 H new ATOM 0 HE1 TRP A 291 5.700 11.055 3.709 1.00 0.00 H new ATOM 0 HE3 TRP A 291 4.400 7.660 7.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 291 4.495 12.323 5.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 291 3.507 9.533 9.000 1.00 0.00 H new ATOM 0 HH2 TRP A 291 3.554 11.834 8.127 1.00 0.00 H new ATOM 584 N GLU A 292 5.137 4.419 7.130 1.00 0.00 N ATOM 585 CA GLU A 292 4.752 3.052 7.460 1.00 0.00 C ATOM 586 C GLU A 292 3.236 2.883 7.398 1.00 0.00 C ATOM 587 O GLU A 292 2.500 3.504 8.163 1.00 0.00 O ATOM 588 CB GLU A 292 5.261 2.678 8.853 1.00 0.00 C ATOM 589 CG GLU A 292 5.200 1.187 9.144 1.00 0.00 C ATOM 590 CD GLU A 292 5.268 0.879 10.627 1.00 0.00 C ATOM 591 OE1 GLU A 292 4.204 0.859 11.279 1.00 0.00 O ATOM 592 OE2 GLU A 292 6.387 0.656 11.135 1.00 0.00 O ATOM 0 H GLU A 292 4.444 5.124 7.379 1.00 0.00 H new ATOM 0 HA GLU A 292 5.205 2.387 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 292 6.291 3.018 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 292 4.672 3.210 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 292 4.277 0.778 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 292 6.024 0.687 8.635 1.00 0.00 H new ATOM 599 N GLY A 293 2.778 2.038 6.479 1.00 0.00 N ATOM 600 CA GLY A 293 1.353 1.803 6.333 1.00 0.00 C ATOM 601 C GLY A 293 0.962 0.380 6.679 1.00 0.00 C ATOM 602 O GLY A 293 1.824 -0.477 6.881 1.00 0.00 O ATOM 0 H GLY A 293 3.368 1.512 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 293 0.806 2.493 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 293 1.055 2.019 5.307 1.00 0.00 H new ATOM 606 N LEU A 294 -0.340 0.126 6.749 1.00 0.00 N ATOM 607 CA LEU A 294 -0.844 -1.203 7.075 1.00 0.00 C ATOM 608 C LEU A 294 -1.848 -1.676 6.029 1.00 0.00 C ATOM 609 O LEU A 294 -2.831 -0.991 5.742 1.00 0.00 O ATOM 610 CB LEU A 294 -1.496 -1.198 8.459 1.00 0.00 C ATOM 611 CG LEU A 294 -2.258 -2.466 8.846 1.00 0.00 C ATOM 612 CD1 LEU A 294 -1.292 -3.557 9.280 1.00 0.00 C ATOM 613 CD2 LEU A 294 -3.261 -2.169 9.951 1.00 0.00 C ATOM 0 H LEU A 294 -1.066 0.823 6.584 1.00 0.00 H new ATOM 0 HA LEU A 294 -0.000 -1.893 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 294 -0.720 -1.023 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 294 -2.184 -0.354 8.512 1.00 0.00 H new ATOM 0 HG LEU A 294 -2.805 -2.820 7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 294 -1.852 -4.452 9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 294 -0.613 -3.789 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 294 -0.718 -3.213 10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 294 -3.794 -3.083 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 294 -2.735 -1.791 10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 294 -3.973 -1.420 9.604 1.00 0.00 H new ATOM 625 N VAL A 295 -1.596 -2.852 5.463 1.00 0.00 N ATOM 626 CA VAL A 295 -2.480 -3.419 4.451 1.00 0.00 C ATOM 627 C VAL A 295 -3.528 -4.327 5.083 1.00 0.00 C ATOM 628 O VAL A 295 -3.220 -5.435 5.525 1.00 0.00 O ATOM 629 CB VAL A 295 -1.689 -4.220 3.400 1.00 0.00 C ATOM 630 CG1 VAL A 295 -2.608 -4.691 2.284 1.00 0.00 C ATOM 631 CG2 VAL A 295 -0.546 -3.384 2.844 1.00 0.00 C ATOM 0 H VAL A 295 -0.787 -3.431 5.688 1.00 0.00 H new ATOM 0 HA VAL A 295 -2.977 -2.582 3.961 1.00 0.00 H new ATOM 0 HB VAL A 295 -1.264 -5.100 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 295 -2.031 -5.255 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 295 -3.388 -5.328 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 295 -3.064 -3.828 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 295 0.003 -3.965 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 295 -0.947 -2.485 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 295 0.126 -3.102 3.654 1.00 0.00 H new ATOM 641 N HIS A 296 -4.769 -3.852 5.123 1.00 0.00 N ATOM 642 CA HIS A 296 -5.865 -4.623 5.700 1.00 0.00 C ATOM 643 C HIS A 296 -6.043 -5.949 4.966 1.00 0.00 C ATOM 644 O HIS A 296 -5.544 -6.125 3.854 1.00 0.00 O ATOM 645 CB HIS A 296 -7.164 -3.819 5.648 1.00 0.00 C ATOM 646 CG HIS A 296 -8.259 -4.395 6.493 1.00 0.00 C ATOM 647 ND1 HIS A 296 -9.333 -5.081 5.969 1.00 0.00 N ATOM 648 CD2 HIS A 296 -8.440 -4.384 7.835 1.00 0.00 C ATOM 649 CE1 HIS A 296 -10.129 -5.467 6.950 1.00 0.00 C ATOM 650 NE2 HIS A 296 -9.609 -5.056 8.093 1.00 0.00 N ATOM 0 H HIS A 296 -5.041 -2.937 4.763 1.00 0.00 H new ATOM 0 HA HIS A 296 -5.619 -4.835 6.741 1.00 0.00 H new ATOM 0 HB2 HIS A 296 -6.963 -2.798 5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 296 -7.505 -3.762 4.614 1.00 0.00 H new ATOM 0 HD2 HIS A 296 -7.787 -3.931 8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 296 -11.048 -6.023 6.837 1.00 0.00 H new ATOM 0 HE2 HIS A 296 -10.011 -5.213 9.017 1.00 0.00 H new ATOM 658 N ILE A 297 -6.755 -6.877 5.595 1.00 0.00 N ATOM 659 CA ILE A 297 -6.998 -8.186 5.002 1.00 0.00 C ATOM 660 C ILE A 297 -7.778 -8.061 3.697 1.00 0.00 C ATOM 661 O ILE A 297 -7.679 -8.917 2.818 1.00 0.00 O ATOM 662 CB ILE A 297 -7.773 -9.105 5.964 1.00 0.00 C ATOM 663 CG1 ILE A 297 -8.013 -10.471 5.317 1.00 0.00 C ATOM 664 CG2 ILE A 297 -9.094 -8.463 6.362 1.00 0.00 C ATOM 665 CD1 ILE A 297 -8.184 -11.592 6.317 1.00 0.00 C ATOM 0 H ILE A 297 -7.174 -6.747 6.516 1.00 0.00 H new ATOM 0 HA ILE A 297 -6.022 -8.627 4.799 1.00 0.00 H new ATOM 0 HB ILE A 297 -7.176 -9.250 6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -8.903 -10.416 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -7.175 -10.705 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -9.630 -9.125 7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -8.901 -7.512 6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -9.698 -8.292 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -8.350 -12.530 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -7.285 -11.675 6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -9.040 -11.381 6.958 1.00 0.00 H new ATOM 677 N SER A 298 -8.552 -6.987 3.577 1.00 0.00 N ATOM 678 CA SER A 298 -9.351 -6.750 2.380 1.00 0.00 C ATOM 679 C SER A 298 -8.571 -5.925 1.361 1.00 0.00 C ATOM 680 O SER A 298 -9.156 -5.270 0.499 1.00 0.00 O ATOM 681 CB SER A 298 -10.653 -6.035 2.744 1.00 0.00 C ATOM 682 OG SER A 298 -11.686 -6.360 1.829 1.00 0.00 O ATOM 0 H SER A 298 -8.643 -6.267 4.294 1.00 0.00 H new ATOM 0 HA SER A 298 -9.588 -7.716 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 298 -10.955 -6.315 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 298 -10.491 -4.957 2.747 1.00 0.00 H new ATOM 0 HG SER A 298 -12.508 -5.892 2.084 1.00 0.00 H new ATOM 688 N GLU A 299 -7.247 -5.962 1.468 1.00 0.00 N ATOM 689 CA GLU A 299 -6.386 -5.216 0.557 1.00 0.00 C ATOM 690 C GLU A 299 -5.258 -6.098 0.029 1.00 0.00 C ATOM 691 O GLU A 299 -4.151 -5.623 -0.226 1.00 0.00 O ATOM 692 CB GLU A 299 -5.802 -3.989 1.260 1.00 0.00 C ATOM 693 CG GLU A 299 -6.848 -2.961 1.659 1.00 0.00 C ATOM 694 CD GLU A 299 -7.188 -2.008 0.530 1.00 0.00 C ATOM 695 OE1 GLU A 299 -6.357 -1.858 -0.390 1.00 0.00 O ATOM 696 OE2 GLU A 299 -8.285 -1.411 0.567 1.00 0.00 O ATOM 0 H GLU A 299 -6.747 -6.500 2.176 1.00 0.00 H new ATOM 0 HA GLU A 299 -6.993 -4.887 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 299 -5.264 -4.313 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 299 -5.073 -3.516 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 299 -7.754 -3.475 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 299 -6.484 -2.391 2.514 1.00 0.00 H new ATOM 703 N LEU A 300 -5.547 -7.385 -0.130 1.00 0.00 N ATOM 704 CA LEU A 300 -4.558 -8.335 -0.627 1.00 0.00 C ATOM 705 C LEU A 300 -5.030 -8.985 -1.924 1.00 0.00 C ATOM 706 O LEU A 300 -4.295 -9.029 -2.911 1.00 0.00 O ATOM 707 CB LEU A 300 -4.283 -9.412 0.425 1.00 0.00 C ATOM 708 CG LEU A 300 -3.986 -8.909 1.838 1.00 0.00 C ATOM 709 CD1 LEU A 300 -4.115 -10.041 2.845 1.00 0.00 C ATOM 710 CD2 LEU A 300 -2.597 -8.290 1.903 1.00 0.00 C ATOM 0 H LEU A 300 -6.458 -7.794 0.078 1.00 0.00 H new ATOM 0 HA LEU A 300 -3.637 -7.789 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 300 -5.147 -10.076 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 300 -3.437 -10.012 0.089 1.00 0.00 H new ATOM 0 HG LEU A 300 -4.716 -8.140 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 300 -3.900 -9.665 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 300 -5.129 -10.439 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 300 -3.408 -10.832 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 300 -2.403 -7.937 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 300 -1.852 -9.038 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 300 -2.540 -7.451 1.210 1.00 0.00 H new ATOM 856 N VAL A 309 -2.651 -13.897 6.544 1.00 0.00 N ATOM 857 CA VAL A 309 -1.719 -13.066 5.791 1.00 0.00 C ATOM 858 C VAL A 309 -0.327 -13.686 5.766 1.00 0.00 C ATOM 859 O VAL A 309 0.414 -13.534 4.796 1.00 0.00 O ATOM 860 CB VAL A 309 -1.627 -11.647 6.384 1.00 0.00 C ATOM 861 CG1 VAL A 309 -0.738 -10.765 5.522 1.00 0.00 C ATOM 862 CG2 VAL A 309 -3.014 -11.040 6.531 1.00 0.00 C ATOM 0 HA VAL A 309 -2.103 -13.002 4.773 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.179 -11.714 7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -0.685 -9.767 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 309 0.263 -11.194 5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.154 -10.701 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.930 -10.038 6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.492 -10.984 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -3.615 -11.662 7.194 1.00 0.00 H new ATOM 872 N ALA A 310 0.022 -14.387 6.840 1.00 0.00 N ATOM 873 CA ALA A 310 1.325 -15.033 6.940 1.00 0.00 C ATOM 874 C ALA A 310 1.785 -15.555 5.583 1.00 0.00 C ATOM 875 O ALA A 310 2.807 -15.118 5.053 1.00 0.00 O ATOM 876 CB ALA A 310 1.276 -16.166 7.955 1.00 0.00 C ATOM 0 H ALA A 310 -0.579 -14.522 7.653 1.00 0.00 H new ATOM 0 HA ALA A 310 2.047 -14.289 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 310 2.256 -16.639 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 310 1.000 -15.768 8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 310 0.537 -16.903 7.642 1.00 0.00 H new ATOM 882 N ASP A 311 1.025 -16.492 5.027 1.00 0.00 N ATOM 883 CA ASP A 311 1.355 -17.074 3.731 1.00 0.00 C ATOM 884 C ASP A 311 1.214 -16.038 2.619 1.00 0.00 C ATOM 885 O ASP A 311 1.911 -16.101 1.606 1.00 0.00 O ATOM 886 CB ASP A 311 0.453 -18.275 3.443 1.00 0.00 C ATOM 887 CG ASP A 311 0.924 -19.534 4.144 1.00 0.00 C ATOM 888 OD1 ASP A 311 2.152 -19.757 4.202 1.00 0.00 O ATOM 889 OD2 ASP A 311 0.065 -20.296 4.635 1.00 0.00 O ATOM 0 H ASP A 311 0.177 -16.865 5.453 1.00 0.00 H new ATOM 0 HA ASP A 311 2.392 -17.408 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 311 -0.565 -18.046 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 311 0.420 -18.452 2.368 1.00 0.00 H new ATOM 894 N VAL A 312 0.308 -15.086 2.815 1.00 0.00 N ATOM 895 CA VAL A 312 0.075 -14.037 1.829 1.00 0.00 C ATOM 896 C VAL A 312 1.329 -13.197 1.615 1.00 0.00 C ATOM 897 O VAL A 312 1.667 -12.843 0.485 1.00 0.00 O ATOM 898 CB VAL A 312 -1.081 -13.114 2.254 1.00 0.00 C ATOM 899 CG1 VAL A 312 -1.276 -11.999 1.238 1.00 0.00 C ATOM 900 CG2 VAL A 312 -2.363 -13.913 2.433 1.00 0.00 C ATOM 0 H VAL A 312 -0.277 -15.019 3.648 1.00 0.00 H new ATOM 0 HA VAL A 312 -0.191 -14.533 0.896 1.00 0.00 H new ATOM 0 HB VAL A 312 -0.826 -12.660 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 312 -2.098 -11.357 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 312 -0.362 -11.410 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 312 -1.508 -12.430 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 312 -3.170 -13.244 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 312 -2.624 -14.397 1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 312 -2.215 -14.671 3.202 1.00 0.00 H new ATOM 910 N VAL A 313 2.018 -12.882 2.708 1.00 0.00 N ATOM 911 CA VAL A 313 3.236 -12.085 2.640 1.00 0.00 C ATOM 912 C VAL A 313 4.224 -12.496 3.726 1.00 0.00 C ATOM 913 O VAL A 313 3.827 -12.885 4.825 1.00 0.00 O ATOM 914 CB VAL A 313 2.932 -10.581 2.781 1.00 0.00 C ATOM 915 CG1 VAL A 313 2.055 -10.104 1.634 1.00 0.00 C ATOM 916 CG2 VAL A 313 2.272 -10.295 4.122 1.00 0.00 C ATOM 0 H VAL A 313 1.753 -13.167 3.651 1.00 0.00 H new ATOM 0 HA VAL A 313 3.679 -12.269 1.661 1.00 0.00 H new ATOM 0 HB VAL A 313 3.873 -10.032 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 313 1.851 -9.040 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 313 2.569 -10.273 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 313 1.115 -10.657 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 313 2.064 -9.228 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 313 1.339 -10.853 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 313 2.940 -10.598 4.928 1.00 0.00 H new ATOM 926 N SER A 314 5.512 -12.407 3.412 1.00 0.00 N ATOM 927 CA SER A 314 6.557 -12.774 4.360 1.00 0.00 C ATOM 928 C SER A 314 7.209 -11.531 4.958 1.00 0.00 C ATOM 929 O SER A 314 6.968 -10.411 4.507 1.00 0.00 O ATOM 930 CB SER A 314 7.617 -13.640 3.675 1.00 0.00 C ATOM 931 OG SER A 314 7.024 -14.750 3.024 1.00 0.00 O ATOM 0 H SER A 314 5.857 -12.084 2.508 1.00 0.00 H new ATOM 0 HA SER A 314 6.097 -13.346 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 314 8.168 -13.041 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 314 8.338 -13.990 4.413 1.00 0.00 H new ATOM 0 HG SER A 314 7.721 -15.287 2.593 1.00 0.00 H new ATOM 937 N LYS A 315 8.037 -11.736 5.976 1.00 0.00 N ATOM 938 CA LYS A 315 8.726 -10.634 6.637 1.00 0.00 C ATOM 939 C LYS A 315 9.930 -10.177 5.819 1.00 0.00 C ATOM 940 O LYS A 315 10.775 -10.985 5.436 1.00 0.00 O ATOM 941 CB LYS A 315 9.178 -11.054 8.038 1.00 0.00 C ATOM 942 CG LYS A 315 9.579 -9.887 8.923 1.00 0.00 C ATOM 943 CD LYS A 315 10.411 -10.347 10.109 1.00 0.00 C ATOM 944 CE LYS A 315 9.532 -10.807 11.261 1.00 0.00 C ATOM 945 NZ LYS A 315 9.194 -9.687 12.183 1.00 0.00 N ATOM 0 H LYS A 315 8.248 -12.656 6.362 1.00 0.00 H new ATOM 0 HA LYS A 315 8.028 -9.801 6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 315 8.371 -11.605 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 315 10.022 -11.738 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 315 10.147 -9.164 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 315 8.685 -9.376 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 315 11.066 -11.162 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 315 11.053 -9.532 10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 315 8.614 -11.242 10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 315 10.044 -11.593 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 315 8.594 -10.042 12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 315 10.069 -9.288 12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 315 8.683 -8.948 11.659 1.00 0.00 H new ATOM 959 N GLY A 316 10.002 -8.875 5.557 1.00 0.00 N ATOM 960 CA GLY A 316 11.107 -8.334 4.788 1.00 0.00 C ATOM 961 C GLY A 316 11.021 -8.692 3.318 1.00 0.00 C ATOM 962 O GLY A 316 12.040 -8.927 2.670 1.00 0.00 O ATOM 0 H GLY A 316 9.315 -8.186 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 316 11.123 -7.249 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 316 12.046 -8.708 5.195 1.00 0.00 H new ATOM 966 N GLN A 317 9.801 -8.735 2.792 1.00 0.00 N ATOM 967 CA GLN A 317 9.587 -9.070 1.389 1.00 0.00 C ATOM 968 C GLN A 317 9.216 -7.830 0.583 1.00 0.00 C ATOM 969 O GLN A 317 8.268 -7.120 0.919 1.00 0.00 O ATOM 970 CB GLN A 317 8.487 -10.126 1.257 1.00 0.00 C ATOM 971 CG GLN A 317 8.224 -10.554 -0.177 1.00 0.00 C ATOM 972 CD GLN A 317 6.890 -11.256 -0.342 1.00 0.00 C ATOM 973 OE1 GLN A 317 5.810 -10.484 -0.330 1.00 0.00 O flip ATOM 974 NE2 GLN A 317 6.831 -12.479 -0.477 1.00 0.00 N flip ATOM 0 H GLN A 317 8.947 -8.542 3.315 1.00 0.00 H new ATOM 0 HA GLN A 317 10.519 -9.473 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 317 8.763 -11.002 1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 317 7.565 -9.733 1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 317 8.251 -9.678 -0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 317 9.023 -11.218 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 317 7.687 -13.034 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 317 5.926 -12.937 -0.585 1.00 0.00 H new ATOM 983 N ARG A 318 9.971 -7.573 -0.480 1.00 0.00 N ATOM 984 CA ARG A 318 9.722 -6.417 -1.333 1.00 0.00 C ATOM 985 C ARG A 318 8.383 -6.549 -2.051 1.00 0.00 C ATOM 986 O ARG A 318 8.060 -7.605 -2.596 1.00 0.00 O ATOM 987 CB ARG A 318 10.849 -6.260 -2.356 1.00 0.00 C ATOM 988 CG ARG A 318 12.235 -6.208 -1.733 1.00 0.00 C ATOM 989 CD ARG A 318 12.501 -4.862 -1.078 1.00 0.00 C ATOM 990 NE ARG A 318 13.921 -4.660 -0.800 1.00 0.00 N ATOM 991 CZ ARG A 318 14.787 -4.202 -1.697 1.00 0.00 C ATOM 992 NH1 ARG A 318 14.381 -3.899 -2.922 1.00 0.00 N ATOM 993 NH2 ARG A 318 16.063 -4.045 -1.369 1.00 0.00 N ATOM 0 H ARG A 318 10.760 -8.150 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 318 9.689 -5.530 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 318 10.807 -7.091 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 318 10.683 -5.348 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 318 12.331 -7.000 -0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 318 12.987 -6.396 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 318 12.142 -4.065 -1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 318 11.936 -4.793 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 318 14.266 -4.883 0.134 1.00 0.00 H new ATOM 0 HH11 ARG A 318 13.401 -4.017 -3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 318 15.049 -3.548 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 318 16.380 -4.276 -0.427 1.00 0.00 H new ATOM 0 HH22 ARG A 318 16.727 -3.693 -2.059 1.00 0.00 H new ATOM 1007 N VAL A 319 7.607 -5.470 -2.049 1.00 0.00 N ATOM 1008 CA VAL A 319 6.303 -5.464 -2.700 1.00 0.00 C ATOM 1009 C VAL A 319 5.921 -4.060 -3.155 1.00 0.00 C ATOM 1010 O VAL A 319 6.553 -3.077 -2.768 1.00 0.00 O ATOM 1011 CB VAL A 319 5.205 -6.005 -1.765 1.00 0.00 C ATOM 1012 CG1 VAL A 319 5.409 -7.489 -1.504 1.00 0.00 C ATOM 1013 CG2 VAL A 319 5.187 -5.224 -0.459 1.00 0.00 C ATOM 0 H VAL A 319 7.859 -4.588 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 319 6.382 -6.116 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 319 4.239 -5.876 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 319 4.624 -7.853 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 319 5.369 -8.033 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 319 6.381 -7.646 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 319 4.406 -5.619 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 319 6.153 -5.321 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 319 4.989 -4.172 -0.667 1.00 0.00 H new ATOM 1023 N LYS A 320 4.883 -3.973 -3.979 1.00 0.00 N ATOM 1024 CA LYS A 320 4.414 -2.689 -4.487 1.00 0.00 C ATOM 1025 C LYS A 320 3.019 -2.372 -3.959 1.00 0.00 C ATOM 1026 O LYS A 320 2.134 -3.228 -3.962 1.00 0.00 O ATOM 1027 CB LYS A 320 4.403 -2.695 -6.017 1.00 0.00 C ATOM 1028 CG LYS A 320 5.761 -2.985 -6.634 1.00 0.00 C ATOM 1029 CD LYS A 320 5.674 -3.093 -8.147 1.00 0.00 C ATOM 1030 CE LYS A 320 6.881 -3.817 -8.724 1.00 0.00 C ATOM 1031 NZ LYS A 320 8.114 -2.985 -8.653 1.00 0.00 N ATOM 0 H LYS A 320 4.350 -4.777 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 320 5.100 -1.917 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 320 3.689 -3.442 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 320 4.051 -1.727 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 320 6.461 -2.194 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 320 6.157 -3.914 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 320 4.763 -3.624 -8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 320 5.605 -2.095 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 320 7.040 -4.748 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 320 6.682 -4.084 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 320 8.914 -3.514 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 320 7.972 -2.107 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 320 8.319 -2.752 -7.660 1.00 0.00 H new ATOM 1045 N VAL A 321 2.828 -1.136 -3.509 1.00 0.00 N ATOM 1046 CA VAL A 321 1.539 -0.705 -2.981 1.00 0.00 C ATOM 1047 C VAL A 321 1.161 0.674 -3.510 1.00 0.00 C ATOM 1048 O VAL A 321 2.005 1.406 -4.028 1.00 0.00 O ATOM 1049 CB VAL A 321 1.547 -0.668 -1.441 1.00 0.00 C ATOM 1050 CG1 VAL A 321 1.824 -2.052 -0.875 1.00 0.00 C ATOM 1051 CG2 VAL A 321 2.572 0.338 -0.938 1.00 0.00 C ATOM 0 H VAL A 321 3.550 -0.415 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 321 0.801 -1.434 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 321 0.562 -0.352 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 321 1.826 -2.006 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 321 1.049 -2.743 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 321 2.796 -2.400 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 321 2.564 0.351 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 321 3.564 0.054 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 321 2.323 1.330 -1.315 1.00 0.00 H new ATOM 1061 N LYS A 322 -0.113 1.025 -3.376 1.00 0.00 N ATOM 1062 CA LYS A 322 -0.605 2.317 -3.838 1.00 0.00 C ATOM 1063 C LYS A 322 -1.054 3.180 -2.663 1.00 0.00 C ATOM 1064 O LYS A 322 -1.547 2.670 -1.657 1.00 0.00 O ATOM 1065 CB LYS A 322 -1.766 2.125 -4.816 1.00 0.00 C ATOM 1066 CG LYS A 322 -1.922 3.265 -5.807 1.00 0.00 C ATOM 1067 CD LYS A 322 -3.073 3.016 -6.767 1.00 0.00 C ATOM 1068 CE LYS A 322 -2.822 3.667 -8.119 1.00 0.00 C ATOM 1069 NZ LYS A 322 -4.091 4.067 -8.786 1.00 0.00 N ATOM 0 H LYS A 322 -0.825 0.431 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 322 0.212 2.826 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 322 -1.617 1.195 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 322 -2.692 2.017 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 322 -2.092 4.197 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 322 -0.997 3.388 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 322 -3.213 1.943 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 322 -3.996 3.407 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 322 -2.189 4.544 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 322 -2.277 2.974 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 322 -3.933 4.152 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 322 -4.819 3.347 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 322 -4.409 4.982 -8.408 1.00 0.00 H new ATOM 1083 N VAL A 323 -0.881 4.492 -2.798 1.00 0.00 N ATOM 1084 CA VAL A 323 -1.271 5.426 -1.748 1.00 0.00 C ATOM 1085 C VAL A 323 -2.756 5.758 -1.833 1.00 0.00 C ATOM 1086 O VAL A 323 -3.174 6.586 -2.643 1.00 0.00 O ATOM 1087 CB VAL A 323 -0.459 6.732 -1.829 1.00 0.00 C ATOM 1088 CG1 VAL A 323 -0.727 7.604 -0.613 1.00 0.00 C ATOM 1089 CG2 VAL A 323 1.026 6.428 -1.961 1.00 0.00 C ATOM 0 H VAL A 323 -0.474 4.931 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 323 -1.064 4.937 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 323 -0.775 7.281 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 323 -0.144 8.522 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 323 -1.788 7.850 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 323 -0.441 7.066 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 323 1.585 7.362 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 323 1.359 5.857 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 323 1.199 5.847 -2.867 1.00 0.00 H new ATOM 1099 N LEU A 324 -3.551 5.107 -0.990 1.00 0.00 N ATOM 1100 CA LEU A 324 -4.992 5.333 -0.968 1.00 0.00 C ATOM 1101 C LEU A 324 -5.318 6.710 -0.398 1.00 0.00 C ATOM 1102 O LEU A 324 -5.917 7.547 -1.074 1.00 0.00 O ATOM 1103 CB LEU A 324 -5.686 4.249 -0.142 1.00 0.00 C ATOM 1104 CG LEU A 324 -5.541 2.817 -0.658 1.00 0.00 C ATOM 1105 CD1 LEU A 324 -6.060 1.824 0.371 1.00 0.00 C ATOM 1106 CD2 LEU A 324 -6.274 2.650 -1.981 1.00 0.00 C ATOM 0 H LEU A 324 -3.222 4.419 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 324 -5.358 5.289 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -5.295 4.289 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -6.748 4.488 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 324 -4.483 2.616 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -5.949 0.810 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -5.491 1.926 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -7.113 2.023 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 324 -6.160 1.625 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -7.332 2.870 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 324 -5.855 3.335 -2.718 1.00 0.00 H new ATOM 1118 N SER A 325 -4.920 6.938 0.850 1.00 0.00 N ATOM 1119 CA SER A 325 -5.171 8.212 1.512 1.00 0.00 C ATOM 1120 C SER A 325 -4.153 8.458 2.621 1.00 0.00 C ATOM 1121 O SER A 325 -3.567 7.520 3.161 1.00 0.00 O ATOM 1122 CB SER A 325 -6.588 8.241 2.088 1.00 0.00 C ATOM 1123 OG SER A 325 -7.057 9.572 2.224 1.00 0.00 O ATOM 0 H SER A 325 -4.422 6.256 1.423 1.00 0.00 H new ATOM 0 HA SER A 325 -5.072 9.005 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 325 -7.260 7.680 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 325 -6.599 7.747 3.060 1.00 0.00 H new ATOM 0 HG SER A 325 -7.965 9.563 2.592 1.00 0.00 H new ATOM 1129 N PHE A 326 -3.949 9.727 2.957 1.00 0.00 N ATOM 1130 CA PHE A 326 -3.001 10.099 4.002 1.00 0.00 C ATOM 1131 C PHE A 326 -3.608 11.135 4.944 1.00 0.00 C ATOM 1132 O PHE A 326 -4.161 12.143 4.504 1.00 0.00 O ATOM 1133 CB PHE A 326 -1.715 10.648 3.382 1.00 0.00 C ATOM 1134 CG PHE A 326 -0.736 11.170 4.395 1.00 0.00 C ATOM 1135 CD1 PHE A 326 -0.010 10.298 5.189 1.00 0.00 C ATOM 1136 CD2 PHE A 326 -0.543 12.533 4.553 1.00 0.00 C ATOM 1137 CE1 PHE A 326 0.891 10.774 6.122 1.00 0.00 C ATOM 1138 CE2 PHE A 326 0.358 13.015 5.483 1.00 0.00 C ATOM 1139 CZ PHE A 326 1.075 12.135 6.270 1.00 0.00 C ATOM 0 H PHE A 326 -4.427 10.516 2.521 1.00 0.00 H new ATOM 0 HA PHE A 326 -2.765 9.204 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 326 -1.237 9.861 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 326 -1.969 11.449 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 326 -0.150 9.233 5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 326 -1.103 13.226 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 326 1.451 10.083 6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 326 0.502 14.080 5.595 1.00 0.00 H new ATOM 0 HZ PHE A 326 1.778 12.510 6.999 1.00 0.00 H new ATOM 1149 N THR A 327 -3.502 10.878 6.244 1.00 0.00 N ATOM 1150 CA THR A 327 -4.042 11.785 7.249 1.00 0.00 C ATOM 1151 C THR A 327 -3.137 11.850 8.474 1.00 0.00 C ATOM 1152 O THR A 327 -3.062 10.901 9.253 1.00 0.00 O ATOM 1153 CB THR A 327 -5.454 11.359 7.690 1.00 0.00 C ATOM 1154 OG1 THR A 327 -5.373 10.236 8.575 1.00 0.00 O ATOM 1155 CG2 THR A 327 -6.313 11.001 6.486 1.00 0.00 C ATOM 0 H THR A 327 -3.047 10.049 6.626 1.00 0.00 H new ATOM 0 HA THR A 327 -4.096 12.771 6.788 1.00 0.00 H new ATOM 0 HB THR A 327 -5.917 12.198 8.209 1.00 0.00 H new ATOM 0 HG1 THR A 327 -4.814 10.467 9.346 1.00 0.00 H new ATOM 0 HG21 THR A 327 -7.306 10.703 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 327 -6.397 11.867 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 327 -5.852 10.176 5.942 1.00 0.00 H new ATOM 1163 N GLY A 328 -2.450 12.976 8.638 1.00 0.00 N ATOM 1164 CA GLY A 328 -1.559 13.144 9.771 1.00 0.00 C ATOM 1165 C GLY A 328 -0.597 11.983 9.929 1.00 0.00 C ATOM 1166 O GLY A 328 0.350 11.841 9.154 1.00 0.00 O ATOM 0 H GLY A 328 -2.495 13.775 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 328 -0.993 14.067 9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 328 -2.149 13.249 10.681 1.00 0.00 H new ATOM 1170 N THR A 329 -0.838 11.149 10.936 1.00 0.00 N ATOM 1171 CA THR A 329 0.016 9.997 11.195 1.00 0.00 C ATOM 1172 C THR A 329 -0.632 8.710 10.695 1.00 0.00 C ATOM 1173 O THR A 329 -0.579 7.676 11.362 1.00 0.00 O ATOM 1174 CB THR A 329 0.325 9.853 12.697 1.00 0.00 C ATOM 1175 OG1 THR A 329 -0.891 9.672 13.432 1.00 0.00 O ATOM 1176 CG2 THR A 329 1.061 11.078 13.218 1.00 0.00 C ATOM 0 H THR A 329 -1.618 11.250 11.585 1.00 0.00 H new ATOM 0 HA THR A 329 0.948 10.166 10.655 1.00 0.00 H new ATOM 0 HB THR A 329 0.964 8.980 12.832 1.00 0.00 H new ATOM 0 HG1 THR A 329 -0.686 9.579 14.386 1.00 0.00 H new ATOM 0 HG21 THR A 329 1.268 10.953 14.281 1.00 0.00 H new ATOM 0 HG22 THR A 329 2.000 11.196 12.677 1.00 0.00 H new ATOM 0 HG23 THR A 329 0.443 11.964 13.070 1.00 0.00 H new ATOM 1184 N LYS A 330 -1.242 8.779 9.517 1.00 0.00 N ATOM 1185 CA LYS A 330 -1.898 7.619 8.926 1.00 0.00 C ATOM 1186 C LYS A 330 -1.626 7.545 7.427 1.00 0.00 C ATOM 1187 O LYS A 330 -1.774 8.534 6.708 1.00 0.00 O ATOM 1188 CB LYS A 330 -3.407 7.677 9.178 1.00 0.00 C ATOM 1189 CG LYS A 330 -3.823 7.087 10.514 1.00 0.00 C ATOM 1190 CD LYS A 330 -5.289 7.354 10.810 1.00 0.00 C ATOM 1191 CE LYS A 330 -6.197 6.458 9.982 1.00 0.00 C ATOM 1192 NZ LYS A 330 -6.115 5.035 10.412 1.00 0.00 N ATOM 0 H LYS A 330 -1.296 9.627 8.952 1.00 0.00 H new ATOM 0 HA LYS A 330 -1.491 6.724 9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 330 -3.735 8.715 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 330 -3.921 7.143 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 330 -3.642 6.012 10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 330 -3.208 7.511 11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 330 -5.483 7.190 11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 330 -5.519 8.399 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 330 -7.227 6.805 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 330 -5.922 6.536 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 -6.924 4.508 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 -5.230 4.617 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 -6.133 4.985 11.451 1.00 0.00 H new ATOM 1206 N THR A 331 -1.228 6.366 6.960 1.00 0.00 N ATOM 1207 CA THR A 331 -0.935 6.163 5.547 1.00 0.00 C ATOM 1208 C THR A 331 -1.461 4.815 5.065 1.00 0.00 C ATOM 1209 O THR A 331 -0.902 3.768 5.390 1.00 0.00 O ATOM 1210 CB THR A 331 0.578 6.240 5.270 1.00 0.00 C ATOM 1211 OG1 THR A 331 1.124 7.425 5.859 1.00 0.00 O ATOM 1212 CG2 THR A 331 0.855 6.236 3.774 1.00 0.00 C ATOM 0 H THR A 331 -1.101 5.537 7.540 1.00 0.00 H new ATOM 0 HA THR A 331 -1.437 6.962 5.002 1.00 0.00 H new ATOM 0 HB THR A 331 1.052 5.364 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 331 2.087 7.466 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 331 1.930 6.291 3.603 1.00 0.00 H new ATOM 0 HG22 THR A 331 0.464 5.319 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 331 0.370 7.096 3.312 1.00 0.00 H new ATOM 1220 N SER A 332 -2.538 4.850 4.287 1.00 0.00 N ATOM 1221 CA SER A 332 -3.141 3.630 3.762 1.00 0.00 C ATOM 1222 C SER A 332 -2.385 3.136 2.533 1.00 0.00 C ATOM 1223 O SER A 332 -1.922 3.930 1.713 1.00 0.00 O ATOM 1224 CB SER A 332 -4.609 3.873 3.408 1.00 0.00 C ATOM 1225 OG SER A 332 -5.385 4.097 4.572 1.00 0.00 O ATOM 0 H SER A 332 -3.011 5.709 4.006 1.00 0.00 H new ATOM 0 HA SER A 332 -3.083 2.864 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.688 4.733 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.002 3.014 2.865 1.00 0.00 H new ATOM 0 HG SER A 332 -6.319 4.251 4.318 1.00 0.00 H new ATOM 1231 N LEU A 333 -2.262 1.818 2.411 1.00 0.00 N ATOM 1232 CA LEU A 333 -1.562 1.216 1.282 1.00 0.00 C ATOM 1233 C LEU A 333 -2.309 -0.013 0.772 1.00 0.00 C ATOM 1234 O LEU A 333 -2.693 -0.886 1.550 1.00 0.00 O ATOM 1235 CB LEU A 333 -0.139 0.829 1.687 1.00 0.00 C ATOM 1236 CG LEU A 333 0.756 1.973 2.168 1.00 0.00 C ATOM 1237 CD1 LEU A 333 2.047 1.428 2.759 1.00 0.00 C ATOM 1238 CD2 LEU A 333 1.053 2.934 1.027 1.00 0.00 C ATOM 0 H LEU A 333 -2.638 1.146 3.080 1.00 0.00 H new ATOM 0 HA LEU A 333 -1.518 1.952 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -0.198 0.083 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 333 0.343 0.351 0.834 1.00 0.00 H new ATOM 0 HG LEU A 333 0.226 2.520 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 333 2.671 2.256 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 333 1.815 0.781 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 333 2.581 0.856 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 333 1.691 3.741 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 333 1.562 2.400 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 333 0.119 3.351 0.650 1.00 0.00 H new ATOM 1250 N SER A 334 -2.508 -0.074 -0.541 1.00 0.00 N ATOM 1251 CA SER A 334 -3.210 -1.195 -1.156 1.00 0.00 C ATOM 1252 C SER A 334 -2.238 -2.095 -1.913 1.00 0.00 C ATOM 1253 O SER A 334 -1.244 -1.626 -2.466 1.00 0.00 O ATOM 1254 CB SER A 334 -4.296 -0.685 -2.106 1.00 0.00 C ATOM 1255 OG SER A 334 -4.986 -1.761 -2.716 1.00 0.00 O ATOM 0 H SER A 334 -2.193 0.639 -1.199 1.00 0.00 H new ATOM 0 HA SER A 334 -3.676 -1.779 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 334 -5.001 -0.062 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 334 -3.846 -0.056 -2.874 1.00 0.00 H new ATOM 0 HG SER A 334 -5.670 -2.102 -2.102 1.00 0.00 H new ATOM 1261 N MET A 335 -2.534 -3.390 -1.932 1.00 0.00 N ATOM 1262 CA MET A 335 -1.687 -4.357 -2.622 1.00 0.00 C ATOM 1263 C MET A 335 -2.436 -5.006 -3.781 1.00 0.00 C ATOM 1264 O MET A 335 -1.900 -5.144 -4.881 1.00 0.00 O ATOM 1265 CB MET A 335 -1.203 -5.431 -1.646 1.00 0.00 C ATOM 1266 CG MET A 335 -0.028 -4.989 -0.789 1.00 0.00 C ATOM 1267 SD MET A 335 0.777 -6.368 0.049 1.00 0.00 S ATOM 1268 CE MET A 335 1.332 -7.338 -1.351 1.00 0.00 C ATOM 0 H MET A 335 -3.353 -3.794 -1.478 1.00 0.00 H new ATOM 0 HA MET A 335 -0.824 -3.826 -3.023 1.00 0.00 H new ATOM 0 HB2 MET A 335 -2.029 -5.718 -0.995 1.00 0.00 H new ATOM 0 HB3 MET A 335 -0.917 -6.320 -2.209 1.00 0.00 H new ATOM 0 HG2 MET A 335 0.700 -4.474 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 335 -0.375 -4.270 -0.047 1.00 0.00 H new ATOM 0 HE1 MET A 335 2.199 -7.932 -1.061 1.00 0.00 H new ATOM 0 HE2 MET A 335 0.530 -8.001 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 335 1.605 -6.672 -2.170 1.00 0.00 H new ATOM 1278 N LYS A 336 -3.679 -5.404 -3.528 1.00 0.00 N ATOM 1279 CA LYS A 336 -4.503 -6.038 -4.550 1.00 0.00 C ATOM 1280 C LYS A 336 -4.655 -5.131 -5.766 1.00 0.00 C ATOM 1281 O LYS A 336 -4.700 -5.602 -6.902 1.00 0.00 O ATOM 1282 CB LYS A 336 -5.881 -6.383 -3.981 1.00 0.00 C ATOM 1283 CG LYS A 336 -6.650 -5.175 -3.475 1.00 0.00 C ATOM 1284 CD LYS A 336 -8.129 -5.484 -3.310 1.00 0.00 C ATOM 1285 CE LYS A 336 -8.856 -4.359 -2.590 1.00 0.00 C ATOM 1286 NZ LYS A 336 -10.334 -4.539 -2.629 1.00 0.00 N ATOM 0 H LYS A 336 -4.138 -5.298 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 336 -4.006 -6.956 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -6.469 -6.881 -4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.760 -7.094 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.236 -4.853 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -6.526 -4.346 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -8.580 -5.642 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -8.248 -6.412 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -8.523 -4.316 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -8.594 -3.405 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -10.793 -3.752 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -10.656 -4.554 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -10.587 -5.437 -2.169 1.00 0.00 H new ATOM 1300 N ASP A 337 -4.733 -3.828 -5.520 1.00 0.00 N ATOM 1301 CA ASP A 337 -4.878 -2.854 -6.596 1.00 0.00 C ATOM 1302 C ASP A 337 -3.565 -2.681 -7.353 1.00 0.00 C ATOM 1303 O ASP A 337 -3.538 -2.124 -8.451 1.00 0.00 O ATOM 1304 CB ASP A 337 -5.339 -1.507 -6.035 1.00 0.00 C ATOM 1305 CG ASP A 337 -6.719 -1.581 -5.413 1.00 0.00 C ATOM 1306 OD1 ASP A 337 -7.540 -2.397 -5.884 1.00 0.00 O ATOM 1307 OD2 ASP A 337 -6.979 -0.824 -4.455 1.00 0.00 O ATOM 0 H ASP A 337 -4.698 -3.422 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 337 -5.631 -3.226 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 337 -4.624 -1.165 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -5.343 -0.766 -6.834 1.00 0.00 H new ATOM 1312 N VAL A 338 -2.478 -3.161 -6.759 1.00 0.00 N ATOM 1313 CA VAL A 338 -1.161 -3.061 -7.377 1.00 0.00 C ATOM 1314 C VAL A 338 -0.618 -4.438 -7.742 1.00 0.00 C ATOM 1315 O VAL A 338 -0.738 -5.388 -6.968 1.00 0.00 O ATOM 1316 CB VAL A 338 -0.157 -2.355 -6.446 1.00 0.00 C ATOM 1317 CG1 VAL A 338 1.174 -2.149 -7.153 1.00 0.00 C ATOM 1318 CG2 VAL A 338 -0.722 -1.029 -5.960 1.00 0.00 C ATOM 0 H VAL A 338 -2.483 -3.623 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 338 -1.282 -2.470 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 338 0.015 -2.991 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 338 1.870 -1.649 -6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 338 1.584 -3.116 -7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 338 1.023 -1.535 -8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 338 0.001 -0.544 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 338 -0.925 -0.384 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 338 -1.647 -1.207 -5.412 1.00 0.00 H new ATOM 1328 N ASP A 339 -0.021 -4.537 -8.924 1.00 0.00 N ATOM 1329 CA ASP A 339 0.543 -5.798 -9.392 1.00 0.00 C ATOM 1330 C ASP A 339 1.923 -6.035 -8.787 1.00 0.00 C ATOM 1331 O ASP A 339 2.697 -5.096 -8.599 1.00 0.00 O ATOM 1332 CB ASP A 339 0.634 -5.806 -10.919 1.00 0.00 C ATOM 1333 CG ASP A 339 -0.621 -6.354 -11.570 1.00 0.00 C ATOM 1334 OD1 ASP A 339 -1.560 -6.722 -10.834 1.00 0.00 O ATOM 1335 OD2 ASP A 339 -0.663 -6.414 -12.817 1.00 0.00 O ATOM 0 H ASP A 339 0.085 -3.760 -9.576 1.00 0.00 H new ATOM 0 HA ASP A 339 -0.118 -6.603 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 339 0.811 -4.791 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 339 1.491 -6.406 -11.226 1.00 0.00 H new ATOM 1340 N GLN A 340 2.223 -7.293 -8.483 1.00 0.00 N ATOM 1341 CA GLN A 340 3.510 -7.651 -7.898 1.00 0.00 C ATOM 1342 C GLN A 340 4.530 -7.978 -8.983 1.00 0.00 C ATOM 1343 O GLN A 340 5.708 -8.187 -8.698 1.00 0.00 O ATOM 1344 CB GLN A 340 3.350 -8.846 -6.955 1.00 0.00 C ATOM 1345 CG GLN A 340 2.512 -8.541 -5.724 1.00 0.00 C ATOM 1346 CD GLN A 340 2.956 -7.277 -5.014 1.00 0.00 C ATOM 1347 OE1 GLN A 340 3.981 -7.261 -4.333 1.00 0.00 O ATOM 1348 NE2 GLN A 340 2.184 -6.208 -5.171 1.00 0.00 N ATOM 0 H GLN A 340 1.593 -8.081 -8.632 1.00 0.00 H new ATOM 0 HA GLN A 340 3.873 -6.794 -7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 340 2.892 -9.671 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 340 4.337 -9.183 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 340 1.467 -8.441 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 340 2.570 -9.381 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 340 1.343 -6.266 -5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.432 -5.329 -4.718 1.00 0.00 H new ATOM 1357 N GLU A 341 4.068 -8.022 -10.229 1.00 0.00 N ATOM 1358 CA GLU A 341 4.941 -8.325 -11.357 1.00 0.00 C ATOM 1359 C GLU A 341 5.640 -7.064 -11.858 1.00 0.00 C ATOM 1360 O GLU A 341 6.864 -7.028 -11.986 1.00 0.00 O ATOM 1361 CB GLU A 341 4.140 -8.963 -12.494 1.00 0.00 C ATOM 1362 CG GLU A 341 4.986 -9.334 -13.700 1.00 0.00 C ATOM 1363 CD GLU A 341 5.995 -10.424 -13.393 1.00 0.00 C ATOM 1364 OE1 GLU A 341 5.694 -11.287 -12.541 1.00 0.00 O ATOM 1365 OE2 GLU A 341 7.084 -10.414 -14.003 1.00 0.00 O ATOM 0 H GLU A 341 3.095 -7.852 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 341 5.700 -9.030 -11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 341 3.643 -9.858 -12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 341 3.358 -8.272 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 341 4.334 -9.665 -14.508 1.00 0.00 H new ATOM 0 HG3 GLU A 341 5.511 -8.448 -14.057 1.00 0.00 H new ATOM 1372 N THR A 342 4.853 -6.031 -12.140 1.00 0.00 N ATOM 1373 CA THR A 342 5.394 -4.769 -12.629 1.00 0.00 C ATOM 1374 C THR A 342 4.882 -3.594 -11.803 1.00 0.00 C ATOM 1375 O THR A 342 5.555 -2.573 -11.674 1.00 0.00 O ATOM 1376 CB THR A 342 5.034 -4.538 -14.108 1.00 0.00 C ATOM 1377 OG1 THR A 342 5.496 -3.250 -14.530 1.00 0.00 O ATOM 1378 CG2 THR A 342 3.531 -4.638 -14.321 1.00 0.00 C ATOM 0 H THR A 342 3.838 -6.043 -12.038 1.00 0.00 H new ATOM 0 HA THR A 342 6.478 -4.832 -12.533 1.00 0.00 H new ATOM 0 HB THR A 342 5.522 -5.311 -14.702 1.00 0.00 H new ATOM 0 HG1 THR A 342 5.264 -3.112 -15.472 1.00 0.00 H new ATOM 0 HG21 THR A 342 3.301 -4.471 -15.373 1.00 0.00 H new ATOM 0 HG22 THR A 342 3.187 -5.630 -14.027 1.00 0.00 H new ATOM 0 HG23 THR A 342 3.027 -3.885 -13.716 1.00 0.00 H new ATOM 1386 N GLY A 343 3.684 -3.747 -11.246 1.00 0.00 N ATOM 1387 CA GLY A 343 3.102 -2.690 -10.439 1.00 0.00 C ATOM 1388 C GLY A 343 2.254 -1.736 -11.257 1.00 0.00 C ATOM 1389 O GLY A 343 2.200 -0.541 -10.968 1.00 0.00 O ATOM 0 H GLY A 343 3.107 -4.583 -11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 343 2.490 -3.132 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 343 3.899 -2.132 -9.947 1.00 0.00 H new ATOM 1393 N GLU A 344 1.593 -2.264 -12.282 1.00 0.00 N ATOM 1394 CA GLU A 344 0.746 -1.449 -13.145 1.00 0.00 C ATOM 1395 C GLU A 344 -0.533 -1.039 -12.422 1.00 0.00 C ATOM 1396 O GLU A 344 -1.106 -1.819 -11.661 1.00 0.00 O ATOM 1397 CB GLU A 344 0.399 -2.214 -14.425 1.00 0.00 C ATOM 1398 CG GLU A 344 -0.104 -1.323 -15.548 1.00 0.00 C ATOM 1399 CD GLU A 344 -0.337 -2.086 -16.838 1.00 0.00 C ATOM 1400 OE1 GLU A 344 0.467 -2.991 -17.144 1.00 0.00 O ATOM 1401 OE2 GLU A 344 -1.322 -1.777 -17.541 1.00 0.00 O ATOM 0 H GLU A 344 1.628 -3.252 -12.535 1.00 0.00 H new ATOM 0 HA GLU A 344 1.299 -0.547 -13.407 1.00 0.00 H new ATOM 0 HB2 GLU A 344 1.283 -2.752 -14.768 1.00 0.00 H new ATOM 0 HB3 GLU A 344 -0.361 -2.961 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 344 -1.034 -0.846 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU A 344 0.619 -0.527 -15.727 1.00 0.00 H new ATOM 1408 N ASP A 345 -0.975 0.190 -12.666 1.00 0.00 N ATOM 1409 CA ASP A 345 -2.187 0.705 -12.039 1.00 0.00 C ATOM 1410 C ASP A 345 -3.402 -0.123 -12.444 1.00 0.00 C ATOM 1411 O ASP A 345 -3.916 0.010 -13.555 1.00 0.00 O ATOM 1412 CB ASP A 345 -2.402 2.170 -12.423 1.00 0.00 C ATOM 1413 CG ASP A 345 -3.727 2.711 -11.923 1.00 0.00 C ATOM 1414 OD1 ASP A 345 -4.766 2.066 -12.177 1.00 0.00 O ATOM 1415 OD2 ASP A 345 -3.725 3.779 -11.276 1.00 0.00 O ATOM 0 H ASP A 345 -0.512 0.848 -13.293 1.00 0.00 H new ATOM 0 HA ASP A 345 -2.066 0.635 -10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -1.590 2.772 -12.016 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -2.359 2.268 -13.508 1.00 0.00 H new