USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 559 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 269 LYS NZ :NH3+ 168:sc= 1.74 (180deg=-0.1) USER MOD Set 1.2: A 271 THR OG1 : rot -101:sc= 1.08 USER MOD Set 1.3: A 340 SER OG : rot -140:sc= 0.871 USER MOD Set 2.1: A 267 GLN : amide:sc= 0.426 K(o=0.81,f=0) USER MOD Set 2.2: A 296 THR OG1 : rot -149:sc= 0.386 USER MOD Set 3.1: A 250 THR OG1 : rot -71:sc= 0.346 USER MOD Set 3.2: A 310 THR OG1 : rot 31:sc= -1.01 USER MOD Set 4.1: A 248 THR OG1 : rot 180:sc= 0.966 USER MOD Set 4.2: A 312 THR OG1 : rot -127:sc= 0.0914 USER MOD Set 5.1: A 244 SER OG : rot -176:sc= 0.974 USER MOD Set 5.2: A 246 GLN : amide:sc= 1.19 K(o=2.1,f=0.77) USER MOD Set 5.3: A 314 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 227 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 232 THR OG1 : rot -55:sc= 0.757 USER MOD Single : A 233 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.81) USER MOD Single : A 235 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 THR OG1 : rot 180:sc= 0 USER MOD Single : A 238 TYR OH : rot -61:sc= 0.0122 USER MOD Single : A 239 ASN : amide:sc= -5.84! C(o=-5.8!,f=-11!) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 245 TYR OH : rot 180:sc= 0 USER MOD Single : A 252 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : A 259 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 ASN : amide:sc= -0.0753 X(o=-0.075,f=-0.31) USER MOD Single : A 292 SER OG : rot 28:sc= 0.0572 USER MOD Single : A 294 THR OG1 : rot 180:sc= -0.0488 USER MOD Single : A 298 THR OG1 : rot 130:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 303 SER OG : rot -96:sc= 1.32 USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N GLY A 226 11.582 -3.217 -9.636 1.00 0.00 N ATOM 48 CA GLY A 226 11.991 -3.873 -8.415 1.00 0.00 C ATOM 49 C GLY A 226 10.904 -4.760 -7.851 1.00 0.00 C ATOM 50 O GLY A 226 9.754 -4.712 -8.298 1.00 0.00 O ATOM 0 HA2 GLY A 226 12.882 -4.471 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 226 12.265 -3.121 -7.675 1.00 0.00 H new ATOM 54 N THR A 227 11.266 -5.569 -6.874 1.00 0.00 N ATOM 55 CA THR A 227 10.326 -6.466 -6.229 1.00 0.00 C ATOM 56 C THR A 227 10.615 -6.526 -4.737 1.00 0.00 C ATOM 57 O THR A 227 11.767 -6.638 -4.321 1.00 0.00 O ATOM 58 CB THR A 227 10.412 -7.885 -6.819 1.00 0.00 C ATOM 59 OG1 THR A 227 10.296 -7.830 -8.248 1.00 0.00 O ATOM 60 CG2 THR A 227 9.319 -8.785 -6.255 1.00 0.00 C ATOM 0 H THR A 227 12.216 -5.623 -6.506 1.00 0.00 H new ATOM 0 HA THR A 227 9.321 -6.080 -6.401 1.00 0.00 H new ATOM 0 HB THR A 227 11.380 -8.304 -6.544 1.00 0.00 H new ATOM 0 HG1 THR A 227 10.353 -8.736 -8.616 1.00 0.00 H new ATOM 0 HG21 THR A 227 9.406 -9.780 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 227 9.426 -8.852 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 227 8.342 -8.367 -6.498 1.00 0.00 H new ATOM 68 N LEU A 228 9.569 -6.449 -3.942 1.00 0.00 N ATOM 69 CA LEU A 228 9.695 -6.419 -2.501 1.00 0.00 C ATOM 70 C LEU A 228 8.607 -7.281 -1.872 1.00 0.00 C ATOM 71 O LEU A 228 7.784 -7.865 -2.578 1.00 0.00 O ATOM 72 CB LEU A 228 9.609 -4.965 -2.029 1.00 0.00 C ATOM 73 CG LEU A 228 10.894 -4.136 -2.259 1.00 0.00 C ATOM 74 CD1 LEU A 228 10.554 -2.668 -2.490 1.00 0.00 C ATOM 75 CD2 LEU A 228 11.855 -4.261 -1.085 1.00 0.00 C ATOM 0 H LEU A 228 8.607 -6.405 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 228 10.657 -6.827 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 228 8.781 -4.478 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 228 9.372 -4.956 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 228 11.383 -4.535 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 228 11.472 -2.103 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 228 9.914 -2.576 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 228 10.032 -2.274 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.747 -3.666 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 228 11.370 -3.901 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 228 12.137 -5.306 -0.955 1.00 0.00 H new ATOM 87 N THR A 229 8.613 -7.386 -0.557 1.00 0.00 N ATOM 88 CA THR A 229 7.661 -8.227 0.143 1.00 0.00 C ATOM 89 C THR A 229 6.885 -7.416 1.186 1.00 0.00 C ATOM 90 O THR A 229 7.369 -6.396 1.681 1.00 0.00 O ATOM 91 CB THR A 229 8.404 -9.382 0.832 1.00 0.00 C ATOM 92 OG1 THR A 229 9.255 -10.047 -0.115 1.00 0.00 O ATOM 93 CG2 THR A 229 7.444 -10.396 1.452 1.00 0.00 C ATOM 0 H THR A 229 9.270 -6.897 0.051 1.00 0.00 H new ATOM 0 HA THR A 229 6.951 -8.627 -0.581 1.00 0.00 H new ATOM 0 HB THR A 229 9.000 -8.952 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.728 -10.781 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 229 8.015 -11.194 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 229 6.823 -9.900 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 229 6.809 -10.819 0.674 1.00 0.00 H new ATOM 101 N VAL A 230 5.689 -7.883 1.515 1.00 0.00 N ATOM 102 CA VAL A 230 4.833 -7.216 2.488 1.00 0.00 C ATOM 103 C VAL A 230 4.943 -7.908 3.837 1.00 0.00 C ATOM 104 O VAL A 230 4.799 -9.126 3.926 1.00 0.00 O ATOM 105 CB VAL A 230 3.354 -7.224 2.042 1.00 0.00 C ATOM 106 CG1 VAL A 230 2.467 -6.532 3.074 1.00 0.00 C ATOM 107 CG2 VAL A 230 3.205 -6.552 0.687 1.00 0.00 C ATOM 0 H VAL A 230 5.285 -8.731 1.117 1.00 0.00 H new ATOM 0 HA VAL A 230 5.168 -6.182 2.566 1.00 0.00 H new ATOM 0 HB VAL A 230 3.033 -8.262 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 230 1.431 -6.552 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 230 2.546 -7.052 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 230 2.789 -5.498 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.157 -6.566 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 230 3.550 -5.520 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.801 -7.087 -0.052 1.00 0.00 H new ATOM 117 N LYS A 231 5.200 -7.139 4.882 1.00 0.00 N ATOM 118 CA LYS A 231 5.366 -7.715 6.208 1.00 0.00 C ATOM 119 C LYS A 231 4.222 -7.300 7.130 1.00 0.00 C ATOM 120 O LYS A 231 3.869 -8.024 8.059 1.00 0.00 O ATOM 121 CB LYS A 231 6.704 -7.282 6.804 1.00 0.00 C ATOM 122 CG LYS A 231 7.243 -8.236 7.853 1.00 0.00 C ATOM 123 CD LYS A 231 8.514 -7.702 8.483 1.00 0.00 C ATOM 124 CE LYS A 231 9.311 -8.810 9.144 1.00 0.00 C ATOM 125 NZ LYS A 231 10.479 -8.278 9.889 1.00 0.00 N1+ ATOM 0 H LYS A 231 5.298 -6.125 4.841 1.00 0.00 H new ATOM 0 HA LYS A 231 5.352 -8.801 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 231 7.435 -7.188 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 231 6.590 -6.294 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.490 -8.393 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 231 7.440 -9.207 7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 231 9.124 -7.218 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 231 8.264 -6.941 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 231 8.666 -9.365 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.653 -9.514 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.999 -9.065 10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 11.107 -7.770 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 10.151 -7.625 10.629 1.00 0.00 H new ATOM 139 N THR A 232 3.641 -6.135 6.866 1.00 0.00 N ATOM 140 CA THR A 232 2.573 -5.598 7.704 1.00 0.00 C ATOM 141 C THR A 232 1.482 -4.962 6.846 1.00 0.00 C ATOM 142 O THR A 232 1.492 -5.096 5.626 1.00 0.00 O ATOM 143 CB THR A 232 3.120 -4.553 8.691 1.00 0.00 C ATOM 144 OG1 THR A 232 3.900 -3.593 7.981 1.00 0.00 O ATOM 145 CG2 THR A 232 3.967 -5.206 9.773 1.00 0.00 C ATOM 0 H THR A 232 3.892 -5.542 6.075 1.00 0.00 H new ATOM 0 HA THR A 232 2.148 -6.429 8.268 1.00 0.00 H new ATOM 0 HB THR A 232 2.276 -4.061 9.174 1.00 0.00 H new ATOM 0 HG1 THR A 232 4.601 -4.052 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 232 4.339 -4.441 10.455 1.00 0.00 H new ATOM 0 HG22 THR A 232 3.360 -5.922 10.327 1.00 0.00 H new ATOM 0 HG23 THR A 232 4.809 -5.723 9.313 1.00 0.00 H new ATOM 153 N GLN A 233 0.555 -4.256 7.484 1.00 0.00 N ATOM 154 CA GLN A 233 -0.595 -3.697 6.783 1.00 0.00 C ATOM 155 C GLN A 233 -0.510 -2.175 6.770 1.00 0.00 C ATOM 156 O GLN A 233 -0.540 -1.542 7.826 1.00 0.00 O ATOM 157 CB GLN A 233 -1.900 -4.119 7.459 1.00 0.00 C ATOM 158 CG GLN A 233 -2.001 -5.603 7.774 1.00 0.00 C ATOM 159 CD GLN A 233 -3.311 -5.951 8.451 1.00 0.00 C ATOM 160 OE1 GLN A 233 -3.900 -5.129 9.152 1.00 0.00 O ATOM 161 NE2 GLN A 233 -3.777 -7.171 8.254 1.00 0.00 N ATOM 0 H GLN A 233 0.577 -4.057 8.484 1.00 0.00 H new ATOM 0 HA GLN A 233 -0.585 -4.076 5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -2.012 -3.556 8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.734 -3.841 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -1.906 -6.177 6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -1.171 -5.894 8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.261 -7.825 7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -4.653 -7.459 8.690 1.00 0.00 H new ATOM 170 N PRO A 234 -0.398 -1.562 5.583 1.00 0.00 N ATOM 171 CA PRO A 234 -0.282 -0.109 5.460 1.00 0.00 C ATOM 172 C PRO A 234 -1.591 0.613 5.755 1.00 0.00 C ATOM 173 O PRO A 234 -2.495 0.637 4.923 1.00 0.00 O ATOM 174 CB PRO A 234 0.110 0.108 3.989 1.00 0.00 C ATOM 175 CG PRO A 234 0.397 -1.247 3.430 1.00 0.00 C ATOM 176 CD PRO A 234 -0.365 -2.225 4.274 1.00 0.00 C ATOM 0 HA PRO A 234 0.438 0.289 6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -0.696 0.593 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 234 0.984 0.755 3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 234 0.087 -1.310 2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 234 1.466 -1.460 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -1.367 -2.402 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 234 0.134 -3.193 4.323 1.00 0.00 H new ATOM 184 N THR A 235 -1.680 1.232 6.924 1.00 0.00 N ATOM 185 CA THR A 235 -2.889 1.947 7.303 1.00 0.00 C ATOM 186 C THR A 235 -2.597 3.063 8.314 1.00 0.00 C ATOM 187 O THR A 235 -1.824 2.880 9.257 1.00 0.00 O ATOM 188 CB THR A 235 -3.959 0.976 7.866 1.00 0.00 C ATOM 189 OG1 THR A 235 -5.137 1.700 8.250 1.00 0.00 O ATOM 190 CG2 THR A 235 -3.425 0.198 9.069 1.00 0.00 C ATOM 0 H THR A 235 -0.936 1.253 7.621 1.00 0.00 H new ATOM 0 HA THR A 235 -3.283 2.410 6.398 1.00 0.00 H new ATOM 0 HB THR A 235 -4.208 0.266 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 235 -5.805 1.075 8.602 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.199 -0.474 9.440 1.00 0.00 H new ATOM 0 HG22 THR A 235 -2.553 -0.383 8.769 1.00 0.00 H new ATOM 0 HG23 THR A 235 -3.142 0.896 9.857 1.00 0.00 H new ATOM 198 N VAL A 236 -3.144 4.241 8.021 1.00 0.00 N ATOM 199 CA VAL A 236 -3.204 5.383 8.934 1.00 0.00 C ATOM 200 C VAL A 236 -4.366 6.277 8.475 1.00 0.00 C ATOM 201 O VAL A 236 -5.031 5.923 7.502 1.00 0.00 O ATOM 202 CB VAL A 236 -1.822 6.129 9.075 1.00 0.00 C ATOM 203 CG1 VAL A 236 -1.920 7.648 9.102 1.00 0.00 C ATOM 204 CG2 VAL A 236 -1.142 5.672 10.349 1.00 0.00 C ATOM 0 H VAL A 236 -3.571 4.434 7.115 1.00 0.00 H new ATOM 0 HA VAL A 236 -3.401 5.047 9.952 1.00 0.00 H new ATOM 0 HB VAL A 236 -1.252 5.870 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -0.922 8.075 9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -2.375 8.000 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -2.533 7.958 9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -0.185 6.183 10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -1.775 5.908 11.204 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -0.975 4.596 10.307 1.00 0.00 H new ATOM 214 N THR A 237 -4.663 7.349 9.200 1.00 0.00 N ATOM 215 CA THR A 237 -5.778 8.238 8.907 1.00 0.00 C ATOM 216 C THR A 237 -6.009 8.452 7.402 1.00 0.00 C ATOM 217 O THR A 237 -5.192 9.068 6.710 1.00 0.00 O ATOM 218 CB THR A 237 -5.538 9.604 9.573 1.00 0.00 C ATOM 219 OG1 THR A 237 -5.369 9.430 10.986 1.00 0.00 O ATOM 220 CG2 THR A 237 -6.693 10.561 9.308 1.00 0.00 C ATOM 0 H THR A 237 -4.126 7.628 10.021 1.00 0.00 H new ATOM 0 HA THR A 237 -6.671 7.756 9.306 1.00 0.00 H new ATOM 0 HB THR A 237 -4.634 10.036 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 237 -5.215 10.302 11.407 1.00 0.00 H new ATOM 0 HG21 THR A 237 -6.492 11.517 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 237 -6.800 10.714 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 237 -7.615 10.138 9.708 1.00 0.00 H new ATOM 228 N TYR A 238 -7.119 7.916 6.908 1.00 0.00 N ATOM 229 CA TYR A 238 -7.546 8.147 5.537 1.00 0.00 C ATOM 230 C TYR A 238 -8.583 9.262 5.516 1.00 0.00 C ATOM 231 O TYR A 238 -9.786 9.008 5.526 1.00 0.00 O ATOM 232 CB TYR A 238 -8.134 6.859 4.919 1.00 0.00 C ATOM 233 CG TYR A 238 -7.142 6.055 4.118 1.00 0.00 C ATOM 234 CD1 TYR A 238 -6.122 5.353 4.740 1.00 0.00 C ATOM 235 CD2 TYR A 238 -7.233 5.994 2.736 1.00 0.00 C ATOM 236 CE1 TYR A 238 -5.217 4.615 4.009 1.00 0.00 C ATOM 237 CE2 TYR A 238 -6.332 5.259 1.994 1.00 0.00 C ATOM 238 CZ TYR A 238 -5.322 4.570 2.635 1.00 0.00 C ATOM 239 OH TYR A 238 -4.419 3.829 1.905 1.00 0.00 O ATOM 0 H TYR A 238 -7.743 7.313 7.444 1.00 0.00 H new ATOM 0 HA TYR A 238 -6.681 8.440 4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 238 -8.532 6.234 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 238 -8.973 7.127 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 238 -6.035 5.385 5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 238 -8.023 6.531 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 238 -4.428 4.074 4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 238 -6.416 5.223 0.918 1.00 0.00 H new ATOM 0 HH TYR A 238 -3.516 4.181 2.048 1.00 0.00 H new ATOM 249 N ASN A 239 -8.104 10.495 5.497 1.00 0.00 N ATOM 250 CA ASN A 239 -8.961 11.657 5.559 1.00 0.00 C ATOM 251 C ASN A 239 -9.390 12.008 4.142 1.00 0.00 C ATOM 252 O ASN A 239 -8.553 12.256 3.288 1.00 0.00 O ATOM 253 CB ASN A 239 -8.171 12.792 6.210 1.00 0.00 C ATOM 254 CG ASN A 239 -9.024 13.800 6.941 1.00 0.00 C ATOM 255 OD1 ASN A 239 -8.626 14.949 7.081 1.00 0.00 O ATOM 256 ND2 ASN A 239 -10.182 13.382 7.427 1.00 0.00 N ATOM 0 H ASN A 239 -7.109 10.714 5.438 1.00 0.00 H new ATOM 0 HA ASN A 239 -9.857 11.474 6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 239 -7.453 12.365 6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 239 -7.597 13.308 5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 239 -10.782 14.027 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 239 -10.475 12.415 7.287 1.00 0.00 H new ATOM 263 N ALA A 240 -10.682 12.023 3.879 1.00 0.00 N ATOM 264 CA ALA A 240 -11.152 12.009 2.500 1.00 0.00 C ATOM 265 C ALA A 240 -11.685 13.355 2.052 1.00 0.00 C ATOM 266 O ALA A 240 -11.207 13.915 1.069 1.00 0.00 O ATOM 267 CB ALA A 240 -12.197 10.930 2.320 1.00 0.00 C ATOM 0 H ALA A 240 -11.417 12.045 4.586 1.00 0.00 H new ATOM 0 HA ALA A 240 -10.293 11.789 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 240 -12.543 10.927 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 240 -11.763 9.959 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 240 -13.039 11.125 2.984 1.00 0.00 H new ATOM 273 N VAL A 241 -12.668 13.875 2.768 1.00 0.00 N ATOM 274 CA VAL A 241 -13.250 15.165 2.425 1.00 0.00 C ATOM 275 C VAL A 241 -12.199 16.260 2.589 1.00 0.00 C ATOM 276 O VAL A 241 -12.209 17.269 1.884 1.00 0.00 O ATOM 277 CB VAL A 241 -14.479 15.483 3.313 1.00 0.00 C ATOM 278 CG1 VAL A 241 -15.173 16.760 2.858 1.00 0.00 C ATOM 279 CG2 VAL A 241 -15.461 14.313 3.320 1.00 0.00 C ATOM 0 H VAL A 241 -13.079 13.427 3.587 1.00 0.00 H new ATOM 0 HA VAL A 241 -13.584 15.124 1.388 1.00 0.00 H new ATOM 0 HB VAL A 241 -14.121 15.639 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 241 -16.031 16.956 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 241 -14.475 17.595 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 241 -15.510 16.644 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 241 -16.316 14.559 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 241 -15.803 14.119 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 241 -14.966 13.425 3.712 1.00 0.00 H new ATOM 289 N LYS A 242 -11.277 16.029 3.516 1.00 0.00 N ATOM 290 CA LYS A 242 -10.188 16.959 3.770 1.00 0.00 C ATOM 291 C LYS A 242 -8.986 16.636 2.891 1.00 0.00 C ATOM 292 O LYS A 242 -8.070 17.444 2.739 1.00 0.00 O ATOM 293 CB LYS A 242 -9.789 16.891 5.235 1.00 0.00 C ATOM 294 CG LYS A 242 -10.984 16.856 6.177 1.00 0.00 C ATOM 295 CD LYS A 242 -10.591 17.143 7.615 1.00 0.00 C ATOM 296 CE LYS A 242 -9.841 18.457 7.739 1.00 0.00 C ATOM 297 NZ LYS A 242 -9.492 18.776 9.149 1.00 0.00 N1+ ATOM 0 H LYS A 242 -11.264 15.198 4.108 1.00 0.00 H new ATOM 0 HA LYS A 242 -10.528 17.967 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -9.179 16.003 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -9.168 17.754 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -11.723 17.588 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -11.460 15.877 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -11.485 17.174 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -9.968 16.331 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -8.930 18.410 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -10.451 19.261 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -8.981 19.681 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -10.362 18.847 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -8.888 18.023 9.536 1.00 0.00 H new ATOM 311 N ASP A 243 -9.007 15.419 2.353 1.00 0.00 N ATOM 312 CA ASP A 243 -8.016 14.945 1.382 1.00 0.00 C ATOM 313 C ASP A 243 -6.639 14.765 1.994 1.00 0.00 C ATOM 314 O ASP A 243 -5.715 15.520 1.705 1.00 0.00 O ATOM 315 CB ASP A 243 -7.931 15.866 0.163 1.00 0.00 C ATOM 316 CG ASP A 243 -8.987 15.552 -0.871 1.00 0.00 C ATOM 317 OD1 ASP A 243 -9.920 16.362 -1.047 1.00 0.00 O ATOM 318 OD2 ASP A 243 -8.884 14.490 -1.522 1.00 0.00 O1- ATOM 0 H ASP A 243 -9.719 14.724 2.579 1.00 0.00 H new ATOM 0 HA ASP A 243 -8.365 13.965 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -8.039 16.902 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -6.944 15.774 -0.290 1.00 0.00 H new ATOM 323 N SER A 244 -6.501 13.757 2.834 1.00 0.00 N ATOM 324 CA SER A 244 -5.216 13.443 3.436 1.00 0.00 C ATOM 325 C SER A 244 -5.154 11.970 3.809 1.00 0.00 C ATOM 326 O SER A 244 -5.630 11.556 4.865 1.00 0.00 O ATOM 327 CB SER A 244 -4.985 14.306 4.671 1.00 0.00 C ATOM 328 OG SER A 244 -3.621 14.306 5.060 1.00 0.00 O ATOM 0 H SER A 244 -7.263 13.140 3.116 1.00 0.00 H new ATOM 0 HA SER A 244 -4.432 13.654 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 244 -5.306 15.328 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 244 -5.598 13.937 5.493 1.00 0.00 H new ATOM 0 HG SER A 244 -3.517 14.817 5.890 1.00 0.00 H new ATOM 334 N TYR A 245 -4.569 11.188 2.930 1.00 0.00 N ATOM 335 CA TYR A 245 -4.423 9.756 3.153 1.00 0.00 C ATOM 336 C TYR A 245 -2.995 9.427 3.548 1.00 0.00 C ATOM 337 O TYR A 245 -2.085 9.489 2.718 1.00 0.00 O ATOM 338 CB TYR A 245 -4.771 8.944 1.895 1.00 0.00 C ATOM 339 CG TYR A 245 -6.166 9.128 1.301 1.00 0.00 C ATOM 340 CD1 TYR A 245 -7.256 9.579 2.048 1.00 0.00 C ATOM 341 CD2 TYR A 245 -6.387 8.808 -0.033 1.00 0.00 C ATOM 342 CE1 TYR A 245 -8.506 9.706 1.478 1.00 0.00 C ATOM 343 CE2 TYR A 245 -7.636 8.938 -0.607 1.00 0.00 C ATOM 344 CZ TYR A 245 -8.691 9.387 0.153 1.00 0.00 C ATOM 345 OH TYR A 245 -9.937 9.518 -0.412 1.00 0.00 O ATOM 0 H TYR A 245 -4.182 11.517 2.046 1.00 0.00 H new ATOM 0 HA TYR A 245 -5.114 9.488 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -4.042 9.190 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -4.642 7.888 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -7.118 9.833 3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -5.564 8.450 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -9.338 10.055 2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -7.784 8.688 -1.647 1.00 0.00 H new ATOM 0 HH TYR A 245 -9.898 9.253 -1.355 1.00 0.00 H new ATOM 355 N GLN A 246 -2.797 9.082 4.811 1.00 0.00 N ATOM 356 CA GLN A 246 -1.497 8.623 5.266 1.00 0.00 C ATOM 357 C GLN A 246 -1.612 7.157 5.645 1.00 0.00 C ATOM 358 O GLN A 246 -2.679 6.706 6.049 1.00 0.00 O ATOM 359 CB GLN A 246 -0.989 9.436 6.469 1.00 0.00 C ATOM 360 CG GLN A 246 -0.313 10.758 6.132 1.00 0.00 C ATOM 361 CD GLN A 246 -1.239 11.774 5.498 1.00 0.00 C ATOM 362 OE1 GLN A 246 -1.336 11.869 4.277 1.00 0.00 O ATOM 363 NE2 GLN A 246 -1.921 12.544 6.328 1.00 0.00 N ATOM 0 H GLN A 246 -3.516 9.111 5.534 1.00 0.00 H new ATOM 0 HA GLN A 246 -0.777 8.759 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 246 -1.832 9.638 7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 246 -0.285 8.821 7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 246 0.108 11.183 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 246 0.520 10.567 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 246 -1.810 12.431 7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 246 -2.558 13.251 5.961 1.00 0.00 H new ATOM 372 N PHE A 247 -0.538 6.405 5.485 1.00 0.00 N ATOM 373 CA PHE A 247 -0.530 5.004 5.877 1.00 0.00 C ATOM 374 C PHE A 247 0.895 4.500 6.054 1.00 0.00 C ATOM 375 O PHE A 247 1.775 4.853 5.283 1.00 0.00 O ATOM 376 CB PHE A 247 -1.312 4.131 4.886 1.00 0.00 C ATOM 377 CG PHE A 247 -0.996 4.320 3.426 1.00 0.00 C ATOM 378 CD1 PHE A 247 -1.291 5.506 2.770 1.00 0.00 C ATOM 379 CD2 PHE A 247 -0.453 3.283 2.698 1.00 0.00 C ATOM 380 CE1 PHE A 247 -1.045 5.647 1.420 1.00 0.00 C ATOM 381 CE2 PHE A 247 -0.197 3.418 1.353 1.00 0.00 C ATOM 382 CZ PHE A 247 -0.497 4.601 0.710 1.00 0.00 C ATOM 0 H PHE A 247 0.340 6.739 5.087 1.00 0.00 H new ATOM 0 HA PHE A 247 -1.037 4.928 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 247 -1.136 3.086 5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 247 -2.376 4.320 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 247 -1.719 6.329 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 247 -0.225 2.350 3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 247 -1.281 6.575 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 247 0.239 2.598 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 247 -0.303 4.707 -0.347 1.00 0.00 H new ATOM 392 N THR A 248 1.128 3.688 7.079 1.00 0.00 N ATOM 393 CA THR A 248 2.478 3.240 7.396 1.00 0.00 C ATOM 394 C THR A 248 2.657 1.766 7.073 1.00 0.00 C ATOM 395 O THR A 248 1.744 0.967 7.282 1.00 0.00 O ATOM 396 CB THR A 248 2.783 3.480 8.894 1.00 0.00 C ATOM 397 OG1 THR A 248 2.784 4.885 9.175 1.00 0.00 O ATOM 398 CG2 THR A 248 4.117 2.872 9.311 1.00 0.00 C ATOM 0 H THR A 248 0.404 3.328 7.701 1.00 0.00 H new ATOM 0 HA THR A 248 3.173 3.816 6.785 1.00 0.00 H new ATOM 0 HB THR A 248 1.999 2.987 9.469 1.00 0.00 H new ATOM 0 HG1 THR A 248 2.977 5.028 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 248 4.290 3.065 10.370 1.00 0.00 H new ATOM 0 HG22 THR A 248 4.097 1.796 9.137 1.00 0.00 H new ATOM 0 HG23 THR A 248 4.920 3.320 8.725 1.00 0.00 H new ATOM 406 N VAL A 249 3.835 1.401 6.575 1.00 0.00 N ATOM 407 CA VAL A 249 4.079 0.009 6.209 1.00 0.00 C ATOM 408 C VAL A 249 5.480 -0.474 6.613 1.00 0.00 C ATOM 409 O VAL A 249 6.485 0.193 6.368 1.00 0.00 O ATOM 410 CB VAL A 249 3.883 -0.224 4.688 1.00 0.00 C ATOM 411 CG1 VAL A 249 4.982 0.423 3.861 1.00 0.00 C ATOM 412 CG2 VAL A 249 3.781 -1.713 4.386 1.00 0.00 C ATOM 0 H VAL A 249 4.620 2.033 6.418 1.00 0.00 H new ATOM 0 HA VAL A 249 3.343 -0.573 6.764 1.00 0.00 H new ATOM 0 HB VAL A 249 2.947 0.257 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 249 4.801 0.232 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 249 4.987 1.498 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 249 5.947 0.003 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 249 3.644 -1.858 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 249 4.695 -2.213 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 249 2.931 -2.135 4.921 1.00 0.00 H new ATOM 422 N THR A 250 5.533 -1.628 7.256 1.00 0.00 N ATOM 423 CA THR A 250 6.772 -2.358 7.420 1.00 0.00 C ATOM 424 C THR A 250 6.848 -3.421 6.331 1.00 0.00 C ATOM 425 O THR A 250 5.954 -4.269 6.216 1.00 0.00 O ATOM 426 CB THR A 250 6.862 -3.009 8.820 1.00 0.00 C ATOM 427 OG1 THR A 250 7.025 -1.991 9.817 1.00 0.00 O ATOM 428 CG2 THR A 250 8.020 -3.996 8.903 1.00 0.00 C ATOM 0 H THR A 250 4.721 -2.081 7.676 1.00 0.00 H new ATOM 0 HA THR A 250 7.612 -1.668 7.333 1.00 0.00 H new ATOM 0 HB THR A 250 5.937 -3.557 8.997 1.00 0.00 H new ATOM 0 HG1 THR A 250 7.922 -1.603 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 250 8.054 -4.435 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 250 7.879 -4.785 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 250 8.957 -3.475 8.704 1.00 0.00 H new ATOM 436 N LEU A 251 7.881 -3.352 5.513 1.00 0.00 N ATOM 437 CA LEU A 251 8.018 -4.246 4.385 1.00 0.00 C ATOM 438 C LEU A 251 9.253 -5.112 4.561 1.00 0.00 C ATOM 439 O LEU A 251 10.048 -4.912 5.481 1.00 0.00 O ATOM 440 CB LEU A 251 8.144 -3.451 3.077 1.00 0.00 C ATOM 441 CG LEU A 251 7.201 -2.262 2.926 1.00 0.00 C ATOM 442 CD1 LEU A 251 8.003 -0.986 2.745 1.00 0.00 C ATOM 443 CD2 LEU A 251 6.264 -2.464 1.748 1.00 0.00 C ATOM 0 H LEU A 251 8.642 -2.680 5.612 1.00 0.00 H new ATOM 0 HA LEU A 251 7.129 -4.874 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 251 9.169 -3.090 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 251 7.975 -4.132 2.243 1.00 0.00 H new ATOM 0 HG LEU A 251 6.599 -2.180 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 251 7.323 -0.141 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 251 8.641 -0.830 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 251 8.622 -1.069 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 251 5.600 -1.604 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 251 6.847 -2.568 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 251 5.671 -3.365 1.905 1.00 0.00 H new ATOM 455 N THR A 252 9.396 -6.082 3.694 1.00 0.00 N ATOM 456 CA THR A 252 10.591 -6.882 3.637 1.00 0.00 C ATOM 457 C THR A 252 11.190 -6.800 2.231 1.00 0.00 C ATOM 458 O THR A 252 10.461 -6.659 1.248 1.00 0.00 O ATOM 459 CB THR A 252 10.270 -8.336 3.997 1.00 0.00 C ATOM 460 OG1 THR A 252 8.868 -8.586 3.792 1.00 0.00 O ATOM 461 CG2 THR A 252 10.644 -8.635 5.447 1.00 0.00 C ATOM 0 H THR A 252 8.686 -6.339 3.008 1.00 0.00 H new ATOM 0 HA THR A 252 11.316 -6.502 4.357 1.00 0.00 H new ATOM 0 HB THR A 252 10.857 -8.990 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 252 8.665 -9.517 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 252 10.406 -9.673 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 252 11.712 -8.467 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 252 10.082 -7.978 6.111 1.00 0.00 H new ATOM 469 N GLY A 253 12.505 -6.874 2.133 1.00 0.00 N ATOM 470 CA GLY A 253 13.161 -6.716 0.855 1.00 0.00 C ATOM 471 C GLY A 253 14.431 -7.526 0.750 1.00 0.00 C ATOM 472 O GLY A 253 14.510 -8.638 1.275 1.00 0.00 O ATOM 0 H GLY A 253 13.133 -7.041 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 253 12.477 -7.015 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 253 13.392 -5.663 0.697 1.00 0.00 H new ATOM 476 N ALA A 254 15.425 -6.969 0.074 1.00 0.00 N ATOM 477 CA ALA A 254 16.670 -7.681 -0.168 1.00 0.00 C ATOM 478 C ALA A 254 17.807 -7.186 0.716 1.00 0.00 C ATOM 479 O ALA A 254 17.611 -6.339 1.588 1.00 0.00 O ATOM 480 CB ALA A 254 17.052 -7.588 -1.637 1.00 0.00 C ATOM 0 H ALA A 254 15.393 -6.027 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 254 16.501 -8.726 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 254 17.986 -8.125 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 254 16.264 -8.031 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 254 17.180 -6.542 -1.914 1.00 0.00 H new ATOM 486 N THR A 255 18.995 -7.722 0.457 1.00 0.00 N ATOM 487 CA THR A 255 20.156 -7.550 1.321 1.00 0.00 C ATOM 488 C THR A 255 20.740 -6.126 1.247 1.00 0.00 C ATOM 489 O THR A 255 20.203 -5.252 0.560 1.00 0.00 O ATOM 490 CB THR A 255 21.230 -8.596 0.930 1.00 0.00 C ATOM 491 OG1 THR A 255 20.569 -9.765 0.423 1.00 0.00 O ATOM 492 CG2 THR A 255 22.104 -9.011 2.127 1.00 0.00 C ATOM 0 H THR A 255 19.180 -8.294 -0.367 1.00 0.00 H new ATOM 0 HA THR A 255 19.838 -7.701 2.352 1.00 0.00 H new ATOM 0 HB THR A 255 21.879 -8.143 0.180 1.00 0.00 H new ATOM 0 HG1 THR A 255 21.238 -10.435 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 255 22.841 -9.745 1.802 1.00 0.00 H new ATOM 0 HG22 THR A 255 22.616 -8.135 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 255 21.475 -9.447 2.903 1.00 0.00 H new ATOM 500 N ALA A 256 21.831 -5.908 1.979 1.00 0.00 N ATOM 501 CA ALA A 256 22.508 -4.614 2.051 1.00 0.00 C ATOM 502 C ALA A 256 23.066 -4.166 0.692 1.00 0.00 C ATOM 503 O ALA A 256 22.866 -4.840 -0.320 1.00 0.00 O ATOM 504 CB ALA A 256 23.616 -4.685 3.092 1.00 0.00 C ATOM 0 H ALA A 256 22.274 -6.632 2.545 1.00 0.00 H new ATOM 0 HA ALA A 256 21.772 -3.865 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 256 24.124 -3.722 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 256 23.187 -4.927 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 256 24.332 -5.457 2.809 1.00 0.00 H new ATOM 510 N SER A 257 23.757 -3.017 0.696 1.00 0.00 N ATOM 511 CA SER A 257 24.330 -2.403 -0.509 1.00 0.00 C ATOM 512 C SER A 257 23.273 -1.630 -1.306 1.00 0.00 C ATOM 513 O SER A 257 23.481 -1.300 -2.476 1.00 0.00 O ATOM 514 CB SER A 257 25.033 -3.448 -1.397 1.00 0.00 C ATOM 515 OG SER A 257 26.137 -4.036 -0.719 1.00 0.00 O ATOM 0 H SER A 257 23.935 -2.482 1.546 1.00 0.00 H new ATOM 0 HA SER A 257 25.083 -1.688 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 257 24.323 -4.224 -1.683 1.00 0.00 H new ATOM 0 HB3 SER A 257 25.377 -2.976 -2.317 1.00 0.00 H new ATOM 0 HG SER A 257 26.565 -4.697 -1.303 1.00 0.00 H new ATOM 521 N VAL A 258 22.143 -1.340 -0.667 1.00 0.00 N ATOM 522 CA VAL A 258 21.136 -0.460 -1.242 1.00 0.00 C ATOM 523 C VAL A 258 20.654 0.518 -0.174 1.00 0.00 C ATOM 524 O VAL A 258 19.766 0.203 0.634 1.00 0.00 O ATOM 525 CB VAL A 258 19.928 -1.233 -1.825 1.00 0.00 C ATOM 526 CG1 VAL A 258 18.922 -0.273 -2.444 1.00 0.00 C ATOM 527 CG2 VAL A 258 20.380 -2.254 -2.857 1.00 0.00 C ATOM 0 H VAL A 258 21.903 -1.705 0.255 1.00 0.00 H new ATOM 0 HA VAL A 258 21.602 0.074 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 258 19.446 -1.764 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 258 18.081 -0.837 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 258 18.563 0.419 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 258 19.401 0.288 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 258 19.512 -2.783 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 258 20.894 -1.745 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 258 21.058 -2.968 -2.390 1.00 0.00 H new ATOM 537 N THR A 259 21.267 1.693 -0.161 1.00 0.00 N ATOM 538 CA THR A 259 20.959 2.713 0.824 1.00 0.00 C ATOM 539 C THR A 259 19.592 3.331 0.548 1.00 0.00 C ATOM 540 O THR A 259 19.464 4.290 -0.217 1.00 0.00 O ATOM 541 CB THR A 259 22.034 3.814 0.829 1.00 0.00 C ATOM 542 OG1 THR A 259 23.338 3.218 0.732 1.00 0.00 O ATOM 543 CG2 THR A 259 21.948 4.641 2.105 1.00 0.00 C ATOM 0 H THR A 259 21.988 1.963 -0.830 1.00 0.00 H new ATOM 0 HA THR A 259 20.942 2.235 1.804 1.00 0.00 H new ATOM 0 HB THR A 259 21.864 4.468 -0.026 1.00 0.00 H new ATOM 0 HG1 THR A 259 24.020 3.922 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 259 22.716 5.414 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 259 20.965 5.107 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 259 22.101 3.994 2.969 1.00 0.00 H new ATOM 551 N GLY A 260 18.577 2.766 1.175 1.00 0.00 N ATOM 552 CA GLY A 260 17.224 3.229 0.979 1.00 0.00 C ATOM 553 C GLY A 260 16.627 2.768 -0.335 1.00 0.00 C ATOM 554 O GLY A 260 16.826 3.410 -1.370 1.00 0.00 O ATOM 0 H GLY A 260 18.668 1.985 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 260 16.601 2.873 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 260 17.209 4.318 1.017 1.00 0.00 H new ATOM 558 N PHE A 261 15.930 1.633 -0.300 1.00 0.00 N ATOM 559 CA PHE A 261 15.101 1.197 -1.427 1.00 0.00 C ATOM 560 C PHE A 261 14.299 2.358 -2.021 1.00 0.00 C ATOM 561 O PHE A 261 14.364 2.619 -3.223 1.00 0.00 O ATOM 562 CB PHE A 261 14.086 0.119 -0.991 1.00 0.00 C ATOM 563 CG PHE A 261 14.525 -1.292 -1.241 1.00 0.00 C ATOM 564 CD1 PHE A 261 14.681 -2.182 -0.193 1.00 0.00 C ATOM 565 CD2 PHE A 261 14.758 -1.733 -2.533 1.00 0.00 C ATOM 566 CE1 PHE A 261 15.063 -3.488 -0.430 1.00 0.00 C ATOM 567 CE2 PHE A 261 15.145 -3.035 -2.775 1.00 0.00 C ATOM 568 CZ PHE A 261 15.296 -3.915 -1.723 1.00 0.00 C ATOM 0 H PHE A 261 15.922 0.997 0.497 1.00 0.00 H new ATOM 0 HA PHE A 261 15.791 0.797 -2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 261 13.884 0.239 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 261 13.146 0.291 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 261 14.502 -1.852 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 261 14.635 -1.050 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 261 15.179 -4.175 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 261 15.330 -3.365 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 261 15.596 -4.936 -1.910 1.00 0.00 H new ATOM 578 N LEU A 262 13.556 3.054 -1.170 1.00 0.00 N ATOM 579 CA LEU A 262 12.609 4.059 -1.624 1.00 0.00 C ATOM 580 C LEU A 262 12.619 5.254 -0.687 1.00 0.00 C ATOM 581 O LEU A 262 12.844 5.100 0.511 1.00 0.00 O ATOM 582 CB LEU A 262 11.201 3.460 -1.663 1.00 0.00 C ATOM 583 CG LEU A 262 11.045 2.207 -2.526 1.00 0.00 C ATOM 584 CD1 LEU A 262 9.797 1.443 -2.124 1.00 0.00 C ATOM 585 CD2 LEU A 262 10.989 2.575 -4.001 1.00 0.00 C ATOM 0 H LEU A 262 13.593 2.939 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 262 12.898 4.386 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 262 10.899 3.219 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.511 4.221 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 262 11.913 1.568 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 262 9.699 0.554 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 262 9.873 1.147 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 262 8.922 2.079 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 262 10.878 1.670 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 262 10.139 3.234 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 262 11.910 3.085 -4.284 1.00 0.00 H new ATOM 597 N LYS A 263 12.393 6.435 -1.236 1.00 0.00 N ATOM 598 CA LYS A 263 12.280 7.645 -0.439 1.00 0.00 C ATOM 599 C LYS A 263 11.162 8.534 -0.959 1.00 0.00 C ATOM 600 O LYS A 263 10.364 8.111 -1.799 1.00 0.00 O ATOM 601 CB LYS A 263 13.602 8.413 -0.425 1.00 0.00 C ATOM 602 CG LYS A 263 14.696 7.692 0.329 1.00 0.00 C ATOM 603 CD LYS A 263 15.937 8.555 0.491 1.00 0.00 C ATOM 604 CE LYS A 263 16.598 8.850 -0.846 1.00 0.00 C ATOM 605 NZ LYS A 263 17.832 9.664 -0.688 1.00 0.00 N1+ ATOM 0 H LYS A 263 12.283 6.582 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 263 12.040 7.350 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 263 13.927 8.584 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 263 13.442 9.392 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 263 14.327 7.399 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 263 14.958 6.775 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 263 15.667 9.492 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 263 16.648 8.050 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 263 16.843 7.912 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 263 15.895 9.378 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 18.252 9.843 -1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 17.595 10.570 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 18.514 9.149 -0.095 1.00 0.00 H new ATOM 619 N ALA A 264 11.106 9.760 -0.451 1.00 0.00 N ATOM 620 CA ALA A 264 10.088 10.719 -0.838 1.00 0.00 C ATOM 621 C ALA A 264 10.040 10.899 -2.347 1.00 0.00 C ATOM 622 O ALA A 264 11.029 11.273 -2.978 1.00 0.00 O ATOM 623 CB ALA A 264 10.329 12.053 -0.151 1.00 0.00 C ATOM 0 H ALA A 264 11.767 10.113 0.241 1.00 0.00 H new ATOM 0 HA ALA A 264 9.122 10.328 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 264 9.557 12.762 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 264 10.296 11.917 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 264 11.307 12.439 -0.438 1.00 0.00 H new ATOM 629 N GLY A 265 8.892 10.586 -2.913 1.00 0.00 N ATOM 630 CA GLY A 265 8.683 10.781 -4.332 1.00 0.00 C ATOM 631 C GLY A 265 8.667 9.477 -5.098 1.00 0.00 C ATOM 632 O GLY A 265 8.362 9.454 -6.290 1.00 0.00 O ATOM 0 H GLY A 265 8.092 10.197 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 265 7.739 11.303 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 265 9.471 11.422 -4.728 1.00 0.00 H new ATOM 636 N ASP A 266 8.999 8.392 -4.420 1.00 0.00 N ATOM 637 CA ASP A 266 9.012 7.081 -5.050 1.00 0.00 C ATOM 638 C ASP A 266 7.648 6.420 -4.897 1.00 0.00 C ATOM 639 O ASP A 266 7.085 6.382 -3.801 1.00 0.00 O ATOM 640 CB ASP A 266 10.099 6.185 -4.444 1.00 0.00 C ATOM 641 CG ASP A 266 11.506 6.734 -4.619 1.00 0.00 C ATOM 642 OD1 ASP A 266 11.696 7.699 -5.392 1.00 0.00 O ATOM 643 OD2 ASP A 266 12.439 6.200 -3.985 1.00 0.00 O1- ATOM 0 H ASP A 266 9.263 8.392 -3.435 1.00 0.00 H new ATOM 0 HA ASP A 266 9.235 7.214 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 266 9.899 6.053 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 266 10.043 5.198 -4.904 1.00 0.00 H new ATOM 648 N GLN A 267 7.114 5.909 -5.997 1.00 0.00 N ATOM 649 CA GLN A 267 5.797 5.292 -5.983 1.00 0.00 C ATOM 650 C GLN A 267 5.908 3.783 -6.156 1.00 0.00 C ATOM 651 O GLN A 267 6.712 3.295 -6.953 1.00 0.00 O ATOM 652 CB GLN A 267 4.910 5.866 -7.089 1.00 0.00 C ATOM 653 CG GLN A 267 4.784 7.382 -7.066 1.00 0.00 C ATOM 654 CD GLN A 267 3.583 7.865 -7.846 1.00 0.00 C ATOM 655 OE1 GLN A 267 3.679 8.184 -9.033 1.00 0.00 O ATOM 656 NE2 GLN A 267 2.435 7.892 -7.185 1.00 0.00 N ATOM 0 H GLN A 267 7.572 5.910 -6.908 1.00 0.00 H new ATOM 0 HA GLN A 267 5.342 5.510 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 267 5.311 5.561 -8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 267 3.915 5.429 -7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 267 4.706 7.723 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 267 5.688 7.827 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 267 2.406 7.619 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 267 1.581 8.186 -7.658 1.00 0.00 H new ATOM 665 N VAL A 268 5.083 3.048 -5.428 1.00 0.00 N ATOM 666 CA VAL A 268 5.117 1.593 -5.480 1.00 0.00 C ATOM 667 C VAL A 268 3.782 1.014 -5.885 1.00 0.00 C ATOM 668 O VAL A 268 2.779 1.711 -5.945 1.00 0.00 O ATOM 669 CB VAL A 268 5.508 0.946 -4.130 1.00 0.00 C ATOM 670 CG1 VAL A 268 7.016 0.915 -3.970 1.00 0.00 C ATOM 671 CG2 VAL A 268 4.871 1.695 -2.965 1.00 0.00 C ATOM 0 H VAL A 268 4.382 3.433 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 268 5.879 1.363 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 268 5.135 -0.078 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 268 7.271 0.456 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 268 7.456 0.334 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 268 7.406 1.932 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 268 5.160 1.222 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 268 5.211 2.731 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 268 3.786 1.669 -3.065 1.00 0.00 H new ATOM 681 N LYS A 269 3.790 -0.279 -6.123 1.00 0.00 N ATOM 682 CA LYS A 269 2.606 -1.013 -6.505 1.00 0.00 C ATOM 683 C LYS A 269 2.497 -2.264 -5.634 1.00 0.00 C ATOM 684 O LYS A 269 3.469 -3.004 -5.495 1.00 0.00 O ATOM 685 CB LYS A 269 2.696 -1.377 -7.998 1.00 0.00 C ATOM 686 CG LYS A 269 1.663 -2.385 -8.477 1.00 0.00 C ATOM 687 CD LYS A 269 2.135 -3.813 -8.262 1.00 0.00 C ATOM 688 CE LYS A 269 2.950 -4.318 -9.444 1.00 0.00 C ATOM 689 NZ LYS A 269 3.447 -5.704 -9.230 1.00 0.00 N1+ ATOM 0 H LYS A 269 4.629 -0.856 -6.056 1.00 0.00 H new ATOM 0 HA LYS A 269 1.712 -0.407 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 269 2.592 -0.465 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 269 3.691 -1.774 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 269 0.725 -2.227 -7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 269 1.460 -2.224 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 269 2.738 -3.865 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 269 1.273 -4.463 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 269 2.338 -4.288 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 269 3.796 -3.652 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 269 3.817 -6.082 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 269 4.205 -5.695 -8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 269 2.666 -6.305 -8.897 1.00 0.00 H new ATOM 703 N PHE A 270 1.339 -2.499 -5.030 1.00 0.00 N ATOM 704 CA PHE A 270 1.146 -3.698 -4.230 1.00 0.00 C ATOM 705 C PHE A 270 0.389 -4.747 -5.028 1.00 0.00 C ATOM 706 O PHE A 270 -0.668 -4.461 -5.589 1.00 0.00 O ATOM 707 CB PHE A 270 0.370 -3.391 -2.948 1.00 0.00 C ATOM 708 CG PHE A 270 0.975 -2.310 -2.100 1.00 0.00 C ATOM 709 CD1 PHE A 270 2.236 -2.456 -1.548 1.00 0.00 C ATOM 710 CD2 PHE A 270 0.267 -1.153 -1.843 1.00 0.00 C ATOM 711 CE1 PHE A 270 2.780 -1.460 -0.755 1.00 0.00 C ATOM 712 CE2 PHE A 270 0.801 -0.155 -1.056 1.00 0.00 C ATOM 713 CZ PHE A 270 2.059 -0.306 -0.510 1.00 0.00 C ATOM 0 H PHE A 270 0.528 -1.882 -5.079 1.00 0.00 H new ATOM 0 HA PHE A 270 2.132 -4.077 -3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 270 -0.647 -3.101 -3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 270 0.297 -4.303 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 270 2.801 -3.356 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 270 -0.719 -1.028 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 270 3.765 -1.584 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 270 0.235 0.745 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 270 2.479 0.475 0.107 1.00 0.00 H new ATOM 723 N THR A 271 0.940 -5.943 -5.091 1.00 0.00 N ATOM 724 CA THR A 271 0.255 -7.066 -5.699 1.00 0.00 C ATOM 725 C THR A 271 -0.290 -7.950 -4.582 1.00 0.00 C ATOM 726 O THR A 271 0.367 -8.892 -4.130 1.00 0.00 O ATOM 727 CB THR A 271 1.217 -7.861 -6.626 1.00 0.00 C ATOM 728 OG1 THR A 271 1.619 -7.031 -7.722 1.00 0.00 O ATOM 729 CG2 THR A 271 0.588 -9.153 -7.178 1.00 0.00 C ATOM 0 H THR A 271 1.867 -6.163 -4.726 1.00 0.00 H new ATOM 0 HA THR A 271 -0.567 -6.712 -6.321 1.00 0.00 H new ATOM 0 HB THR A 271 2.075 -8.150 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 271 1.101 -7.269 -8.519 1.00 0.00 H new ATOM 0 HG21 THR A 271 1.308 -9.664 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 271 0.312 -9.806 -6.350 1.00 0.00 H new ATOM 0 HG23 THR A 271 -0.301 -8.906 -7.758 1.00 0.00 H new ATOM 737 N ASN A 272 -1.499 -7.631 -4.143 1.00 0.00 N ATOM 738 CA ASN A 272 -2.041 -8.192 -2.911 1.00 0.00 C ATOM 739 C ASN A 272 -2.825 -9.473 -3.162 1.00 0.00 C ATOM 740 O ASN A 272 -3.317 -9.721 -4.265 1.00 0.00 O ATOM 741 CB ASN A 272 -2.917 -7.155 -2.199 1.00 0.00 C ATOM 742 CG ASN A 272 -4.105 -6.727 -3.032 1.00 0.00 C ATOM 743 OD1 ASN A 272 -4.015 -5.805 -3.843 1.00 0.00 O ATOM 744 ND2 ASN A 272 -5.234 -7.373 -2.820 1.00 0.00 N ATOM 0 H ASN A 272 -2.126 -6.985 -4.622 1.00 0.00 H new ATOM 0 HA ASN A 272 -1.199 -8.451 -2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -3.270 -7.570 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -2.314 -6.280 -1.957 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -6.074 -7.114 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -5.267 -8.132 -2.139 1.00 0.00 H new ATOM 1061 N SER A 292 -4.459 -4.660 -7.300 1.00 0.00 N ATOM 1062 CA SER A 292 -3.151 -4.021 -7.192 1.00 0.00 C ATOM 1063 C SER A 292 -3.312 -2.501 -7.113 1.00 0.00 C ATOM 1064 O SER A 292 -4.011 -1.909 -7.939 1.00 0.00 O ATOM 1065 CB SER A 292 -2.272 -4.392 -8.391 1.00 0.00 C ATOM 1066 OG SER A 292 -2.076 -5.796 -8.463 1.00 0.00 O ATOM 0 HA SER A 292 -2.667 -4.375 -6.282 1.00 0.00 H new ATOM 0 HB2 SER A 292 -2.738 -4.039 -9.311 1.00 0.00 H new ATOM 0 HB3 SER A 292 -1.308 -3.890 -8.309 1.00 0.00 H new ATOM 0 HG SER A 292 -2.840 -6.254 -8.055 1.00 0.00 H new ATOM 1072 N PHE A 293 -2.671 -1.867 -6.131 1.00 0.00 N ATOM 1073 CA PHE A 293 -2.809 -0.430 -5.944 1.00 0.00 C ATOM 1074 C PHE A 293 -1.459 0.231 -5.677 1.00 0.00 C ATOM 1075 O PHE A 293 -0.548 -0.387 -5.126 1.00 0.00 O ATOM 1076 CB PHE A 293 -3.815 -0.113 -4.825 1.00 0.00 C ATOM 1077 CG PHE A 293 -3.589 -0.838 -3.521 1.00 0.00 C ATOM 1078 CD1 PHE A 293 -3.900 -2.184 -3.392 1.00 0.00 C ATOM 1079 CD2 PHE A 293 -3.091 -0.164 -2.417 1.00 0.00 C ATOM 1080 CE1 PHE A 293 -3.716 -2.842 -2.192 1.00 0.00 C ATOM 1081 CE2 PHE A 293 -2.903 -0.819 -1.215 1.00 0.00 C ATOM 1082 CZ PHE A 293 -3.217 -2.159 -1.102 1.00 0.00 C ATOM 0 H PHE A 293 -2.056 -2.326 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 293 -3.199 -0.013 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -3.791 0.960 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 293 -4.817 -0.350 -5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 293 -4.291 -2.724 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -2.847 0.885 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 293 -3.962 -3.890 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 293 -2.510 -0.283 -0.364 1.00 0.00 H new ATOM 0 HZ PHE A 293 -3.072 -2.671 -0.162 1.00 0.00 H new ATOM 1092 N THR A 294 -1.352 1.491 -6.084 1.00 0.00 N ATOM 1093 CA THR A 294 -0.098 2.236 -6.040 1.00 0.00 C ATOM 1094 C THR A 294 0.013 3.086 -4.771 1.00 0.00 C ATOM 1095 O THR A 294 -0.951 3.733 -4.362 1.00 0.00 O ATOM 1096 CB THR A 294 0.001 3.146 -7.291 1.00 0.00 C ATOM 1097 OG1 THR A 294 0.002 2.334 -8.474 1.00 0.00 O ATOM 1098 CG2 THR A 294 1.242 4.042 -7.271 1.00 0.00 C ATOM 0 H THR A 294 -2.136 2.027 -6.456 1.00 0.00 H new ATOM 0 HA THR A 294 0.723 1.519 -6.030 1.00 0.00 H new ATOM 0 HB THR A 294 -0.867 3.805 -7.286 1.00 0.00 H new ATOM 0 HG1 THR A 294 0.063 2.909 -9.265 1.00 0.00 H new ATOM 0 HG21 THR A 294 1.261 4.658 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 294 1.212 4.685 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 294 2.138 3.422 -7.237 1.00 0.00 H new ATOM 1106 N ALA A 295 1.185 3.078 -4.143 1.00 0.00 N ATOM 1107 CA ALA A 295 1.424 3.903 -2.963 1.00 0.00 C ATOM 1108 C ALA A 295 2.586 4.850 -3.197 1.00 0.00 C ATOM 1109 O ALA A 295 3.293 4.727 -4.193 1.00 0.00 O ATOM 1110 CB ALA A 295 1.703 3.031 -1.760 1.00 0.00 C ATOM 0 H ALA A 295 1.983 2.511 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 295 0.528 4.493 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 295 1.879 3.660 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 295 0.846 2.384 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 295 2.585 2.420 -1.951 1.00 0.00 H new ATOM 1116 N THR A 296 2.796 5.783 -2.275 1.00 0.00 N ATOM 1117 CA THR A 296 3.875 6.743 -2.427 1.00 0.00 C ATOM 1118 C THR A 296 4.662 6.934 -1.134 1.00 0.00 C ATOM 1119 O THR A 296 4.111 7.327 -0.099 1.00 0.00 O ATOM 1120 CB THR A 296 3.345 8.111 -2.930 1.00 0.00 C ATOM 1121 OG1 THR A 296 2.711 7.958 -4.210 1.00 0.00 O ATOM 1122 CG2 THR A 296 4.462 9.163 -3.034 1.00 0.00 C ATOM 0 H THR A 296 2.240 5.892 -1.427 1.00 0.00 H new ATOM 0 HA THR A 296 4.553 6.331 -3.175 1.00 0.00 H new ATOM 0 HB THR A 296 2.620 8.463 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 296 2.822 8.781 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 296 4.043 10.104 -3.390 1.00 0.00 H new ATOM 0 HG22 THR A 296 4.912 9.314 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 296 5.224 8.817 -3.733 1.00 0.00 H new ATOM 1130 N VAL A 297 5.960 6.664 -1.226 1.00 0.00 N ATOM 1131 CA VAL A 297 6.865 6.754 -0.089 1.00 0.00 C ATOM 1132 C VAL A 297 7.251 8.206 0.167 1.00 0.00 C ATOM 1133 O VAL A 297 7.472 8.974 -0.773 1.00 0.00 O ATOM 1134 CB VAL A 297 8.140 5.912 -0.329 1.00 0.00 C ATOM 1135 CG1 VAL A 297 9.069 5.970 0.874 1.00 0.00 C ATOM 1136 CG2 VAL A 297 7.778 4.470 -0.655 1.00 0.00 C ATOM 0 H VAL A 297 6.413 6.376 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 297 6.346 6.360 0.785 1.00 0.00 H new ATOM 0 HB VAL A 297 8.667 6.338 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 297 9.957 5.369 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 297 9.363 7.003 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 297 8.553 5.579 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 297 8.689 3.895 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 297 7.222 4.038 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 297 7.164 4.444 -1.555 1.00 0.00 H new ATOM 1146 N THR A 298 7.320 8.583 1.435 1.00 0.00 N ATOM 1147 CA THR A 298 7.615 9.956 1.801 1.00 0.00 C ATOM 1148 C THR A 298 8.722 10.059 2.848 1.00 0.00 C ATOM 1149 O THR A 298 8.796 11.050 3.574 1.00 0.00 O ATOM 1150 CB THR A 298 6.349 10.658 2.324 1.00 0.00 C ATOM 1151 OG1 THR A 298 5.508 9.711 3.001 1.00 0.00 O ATOM 1152 CG2 THR A 298 5.581 11.315 1.186 1.00 0.00 C ATOM 0 H THR A 298 7.175 7.956 2.226 1.00 0.00 H new ATOM 0 HA THR A 298 7.967 10.451 0.896 1.00 0.00 H new ATOM 0 HB THR A 298 6.653 11.436 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 298 5.255 10.067 3.878 1.00 0.00 H new ATOM 0 HG21 THR A 298 4.691 11.804 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 298 6.215 12.056 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 298 5.286 10.557 0.461 1.00 0.00 H new ATOM 1160 N ALA A 299 9.586 9.049 2.928 1.00 0.00 N ATOM 1161 CA ALA A 299 10.669 9.064 3.909 1.00 0.00 C ATOM 1162 C ALA A 299 11.772 8.075 3.567 1.00 0.00 C ATOM 1163 O ALA A 299 11.695 7.371 2.563 1.00 0.00 O ATOM 1164 CB ALA A 299 10.129 8.790 5.306 1.00 0.00 C ATOM 0 H ALA A 299 9.559 8.220 2.334 1.00 0.00 H new ATOM 0 HA ALA A 299 11.108 10.061 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 299 10.950 8.805 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 299 9.401 9.557 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 299 9.649 7.812 5.325 1.00 0.00 H new ATOM 1170 N ASP A 300 12.794 8.039 4.419 1.00 0.00 N ATOM 1171 CA ASP A 300 13.937 7.172 4.235 1.00 0.00 C ATOM 1172 C ASP A 300 13.549 5.720 4.433 1.00 0.00 C ATOM 1173 O ASP A 300 12.509 5.405 5.016 1.00 0.00 O ATOM 1174 CB ASP A 300 15.067 7.549 5.205 1.00 0.00 C ATOM 1175 CG ASP A 300 15.856 8.767 4.755 1.00 0.00 C ATOM 1176 OD1 ASP A 300 15.562 9.893 5.222 1.00 0.00 O ATOM 1177 OD2 ASP A 300 16.784 8.605 3.933 1.00 0.00 O1- ATOM 0 H ASP A 300 12.845 8.617 5.258 1.00 0.00 H new ATOM 0 HA ASP A 300 14.294 7.302 3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 300 14.643 7.742 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 300 15.745 6.702 5.310 1.00 0.00 H new ATOM 1182 N ALA A 301 14.410 4.848 3.964 1.00 0.00 N ATOM 1183 CA ALA A 301 14.147 3.418 3.972 1.00 0.00 C ATOM 1184 C ALA A 301 15.446 2.633 4.107 1.00 0.00 C ATOM 1185 O ALA A 301 16.532 3.207 4.058 1.00 0.00 O ATOM 1186 CB ALA A 301 13.407 3.021 2.705 1.00 0.00 C ATOM 0 H ALA A 301 15.313 5.104 3.565 1.00 0.00 H new ATOM 0 HA ALA A 301 13.521 3.181 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 301 13.213 1.948 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 301 12.461 3.560 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 301 14.015 3.270 1.835 1.00 0.00 H new ATOM 1192 N ASN A 302 15.334 1.322 4.274 1.00 0.00 N ATOM 1193 CA ASN A 302 16.501 0.478 4.515 1.00 0.00 C ATOM 1194 C ASN A 302 16.430 -0.825 3.731 1.00 0.00 C ATOM 1195 O ASN A 302 15.469 -1.569 3.867 1.00 0.00 O ATOM 1196 CB ASN A 302 16.597 0.120 6.001 1.00 0.00 C ATOM 1197 CG ASN A 302 16.983 1.296 6.875 1.00 0.00 C ATOM 1198 OD1 ASN A 302 16.125 2.040 7.359 1.00 0.00 O ATOM 1199 ND2 ASN A 302 18.275 1.471 7.092 1.00 0.00 N ATOM 0 H ASN A 302 14.448 0.818 4.247 1.00 0.00 H new ATOM 0 HA ASN A 302 17.373 1.047 4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 302 15.637 -0.274 6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 302 17.330 -0.676 6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 302 18.594 2.243 7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 302 18.953 0.834 6.674 1.00 0.00 H new ATOM 1206 N SER A 303 17.424 -1.102 2.901 1.00 0.00 N ATOM 1207 CA SER A 303 17.622 -2.450 2.416 1.00 0.00 C ATOM 1208 C SER A 303 18.830 -3.031 3.135 1.00 0.00 C ATOM 1209 O SER A 303 19.968 -2.829 2.707 1.00 0.00 O ATOM 1210 CB SER A 303 17.876 -2.426 0.914 1.00 0.00 C ATOM 1211 OG SER A 303 17.482 -1.179 0.361 1.00 0.00 O ATOM 0 H SER A 303 18.096 -0.417 2.555 1.00 0.00 H new ATOM 0 HA SER A 303 16.737 -3.058 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 303 18.934 -2.600 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 303 17.324 -3.234 0.433 1.00 0.00 H new ATOM 0 HG SER A 303 16.577 -1.255 -0.006 1.00 0.00 H new ATOM 1217 N ASP A 304 18.599 -3.729 4.234 1.00 0.00 N ATOM 1218 CA ASP A 304 19.704 -4.199 5.054 1.00 0.00 C ATOM 1219 C ASP A 304 19.966 -5.675 4.816 1.00 0.00 C ATOM 1220 O ASP A 304 19.266 -6.311 4.032 1.00 0.00 O ATOM 1221 CB ASP A 304 19.437 -3.935 6.541 1.00 0.00 C ATOM 1222 CG ASP A 304 18.661 -5.047 7.218 1.00 0.00 C ATOM 1223 OD1 ASP A 304 17.428 -5.094 7.076 1.00 0.00 O ATOM 1224 OD2 ASP A 304 19.293 -5.872 7.914 1.00 0.00 O1- ATOM 0 H ASP A 304 17.671 -3.980 4.576 1.00 0.00 H new ATOM 0 HA ASP A 304 20.594 -3.641 4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 304 20.388 -3.800 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 304 18.884 -3.001 6.643 1.00 0.00 H new ATOM 1229 N SER A 305 20.965 -6.219 5.489 1.00 0.00 N ATOM 1230 CA SER A 305 21.344 -7.611 5.303 1.00 0.00 C ATOM 1231 C SER A 305 20.176 -8.556 5.585 1.00 0.00 C ATOM 1232 O SER A 305 20.030 -9.592 4.934 1.00 0.00 O ATOM 1233 CB SER A 305 22.503 -7.939 6.225 1.00 0.00 C ATOM 1234 OG SER A 305 23.566 -7.012 6.055 1.00 0.00 O ATOM 0 H SER A 305 21.531 -5.716 6.172 1.00 0.00 H new ATOM 0 HA SER A 305 21.639 -7.750 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 305 22.164 -7.923 7.261 1.00 0.00 H new ATOM 0 HB3 SER A 305 22.860 -8.949 6.022 1.00 0.00 H new ATOM 0 HG SER A 305 24.301 -7.242 6.661 1.00 0.00 H new ATOM 1240 N GLY A 306 19.326 -8.172 6.526 1.00 0.00 N ATOM 1241 CA GLY A 306 18.198 -9.000 6.889 1.00 0.00 C ATOM 1242 C GLY A 306 17.030 -8.826 5.944 1.00 0.00 C ATOM 1243 O GLY A 306 15.991 -9.459 6.119 1.00 0.00 O ATOM 0 H GLY A 306 19.399 -7.297 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 306 18.505 -10.046 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 306 17.882 -8.755 7.903 1.00 0.00 H new ATOM 1247 N GLY A 307 17.205 -7.978 4.934 1.00 0.00 N ATOM 1248 CA GLY A 307 16.149 -7.748 3.971 1.00 0.00 C ATOM 1249 C GLY A 307 14.890 -7.157 4.584 1.00 0.00 C ATOM 1250 O GLY A 307 13.789 -7.607 4.279 1.00 0.00 O ATOM 0 H GLY A 307 18.060 -7.447 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 307 16.516 -7.077 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 307 15.899 -8.691 3.485 1.00 0.00 H new ATOM 1254 N ASP A 308 15.035 -6.182 5.471 1.00 0.00 N ATOM 1255 CA ASP A 308 13.872 -5.578 6.123 1.00 0.00 C ATOM 1256 C ASP A 308 13.811 -4.071 5.844 1.00 0.00 C ATOM 1257 O ASP A 308 14.782 -3.350 6.081 1.00 0.00 O ATOM 1258 CB ASP A 308 13.941 -5.839 7.627 1.00 0.00 C ATOM 1259 CG ASP A 308 12.665 -5.490 8.369 1.00 0.00 C ATOM 1260 OD1 ASP A 308 12.447 -4.297 8.666 1.00 0.00 O ATOM 1261 OD2 ASP A 308 11.900 -6.419 8.707 1.00 0.00 O1- ATOM 0 H ASP A 308 15.934 -5.793 5.756 1.00 0.00 H new ATOM 0 HA ASP A 308 12.966 -6.030 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 308 14.170 -6.892 7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 308 14.764 -5.263 8.049 1.00 0.00 H new ATOM 1266 N VAL A 309 12.669 -3.603 5.342 1.00 0.00 N ATOM 1267 CA VAL A 309 12.491 -2.187 4.986 1.00 0.00 C ATOM 1268 C VAL A 309 11.133 -1.644 5.446 1.00 0.00 C ATOM 1269 O VAL A 309 10.105 -2.190 5.105 1.00 0.00 O ATOM 1270 CB VAL A 309 12.636 -1.963 3.448 1.00 0.00 C ATOM 1271 CG1 VAL A 309 12.092 -3.144 2.648 1.00 0.00 C ATOM 1272 CG2 VAL A 309 11.940 -0.681 2.991 1.00 0.00 C ATOM 0 H VAL A 309 11.847 -4.183 5.170 1.00 0.00 H new ATOM 0 HA VAL A 309 13.279 -1.642 5.506 1.00 0.00 H new ATOM 0 HB VAL A 309 13.705 -1.870 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 309 12.212 -2.948 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 309 12.640 -4.048 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 309 11.035 -3.281 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 309 12.065 -0.563 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 309 10.878 -0.739 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 309 12.380 0.174 3.503 1.00 0.00 H new ATOM 1282 N THR A 310 11.131 -0.549 6.193 1.00 0.00 N ATOM 1283 CA THR A 310 9.880 0.051 6.658 1.00 0.00 C ATOM 1284 C THR A 310 9.774 1.517 6.220 1.00 0.00 C ATOM 1285 O THR A 310 10.723 2.288 6.384 1.00 0.00 O ATOM 1286 CB THR A 310 9.787 -0.025 8.207 1.00 0.00 C ATOM 1287 OG1 THR A 310 9.656 -1.388 8.623 1.00 0.00 O ATOM 1288 CG2 THR A 310 8.623 0.802 8.778 1.00 0.00 C ATOM 0 H THR A 310 11.974 -0.058 6.491 1.00 0.00 H new ATOM 0 HA THR A 310 9.059 -0.511 6.213 1.00 0.00 H new ATOM 0 HB THR A 310 10.710 0.403 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 310 10.122 -1.970 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 310 8.609 0.710 9.864 1.00 0.00 H new ATOM 0 HG22 THR A 310 8.752 1.849 8.504 1.00 0.00 H new ATOM 0 HG23 THR A 310 7.681 0.434 8.371 1.00 0.00 H new ATOM 1296 N VAL A 311 8.619 1.901 5.669 1.00 0.00 N ATOM 1297 CA VAL A 311 8.373 3.300 5.284 1.00 0.00 C ATOM 1298 C VAL A 311 6.917 3.666 5.518 1.00 0.00 C ATOM 1299 O VAL A 311 6.060 2.801 5.666 1.00 0.00 O ATOM 1300 CB VAL A 311 8.699 3.592 3.793 1.00 0.00 C ATOM 1301 CG1 VAL A 311 10.205 3.617 3.537 1.00 0.00 C ATOM 1302 CG2 VAL A 311 8.030 2.556 2.883 1.00 0.00 C ATOM 0 H VAL A 311 7.841 1.269 5.479 1.00 0.00 H new ATOM 0 HA VAL A 311 9.039 3.898 5.907 1.00 0.00 H new ATOM 0 HB VAL A 311 8.303 4.581 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 311 10.392 3.824 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 311 10.665 4.395 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 311 10.635 2.650 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 311 8.270 2.777 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 311 8.394 1.560 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 311 6.950 2.593 3.022 1.00 0.00 H new ATOM 1312 N THR A 312 6.646 4.950 5.564 1.00 0.00 N ATOM 1313 CA THR A 312 5.287 5.425 5.657 1.00 0.00 C ATOM 1314 C THR A 312 4.938 6.236 4.423 1.00 0.00 C ATOM 1315 O THR A 312 5.767 6.976 3.881 1.00 0.00 O ATOM 1316 CB THR A 312 5.080 6.269 6.941 1.00 0.00 C ATOM 1317 OG1 THR A 312 5.140 5.421 8.087 1.00 0.00 O ATOM 1318 CG2 THR A 312 3.753 7.054 6.946 1.00 0.00 C ATOM 0 H THR A 312 7.352 5.686 5.538 1.00 0.00 H new ATOM 0 HA THR A 312 4.622 4.563 5.714 1.00 0.00 H new ATOM 0 HB THR A 312 5.882 7.006 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 312 4.340 5.557 8.637 1.00 0.00 H new ATOM 0 HG21 THR A 312 3.670 7.623 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 312 3.731 7.737 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 312 2.918 6.357 6.873 1.00 0.00 H new ATOM 1326 N LEU A 313 3.711 6.067 3.990 1.00 0.00 N ATOM 1327 CA LEU A 313 3.227 6.639 2.762 1.00 0.00 C ATOM 1328 C LEU A 313 2.274 7.774 3.091 1.00 0.00 C ATOM 1329 O LEU A 313 1.401 7.624 3.946 1.00 0.00 O ATOM 1330 CB LEU A 313 2.521 5.558 1.938 1.00 0.00 C ATOM 1331 CG LEU A 313 3.275 4.220 1.775 1.00 0.00 C ATOM 1332 CD1 LEU A 313 4.735 4.437 1.420 1.00 0.00 C ATOM 1333 CD2 LEU A 313 3.144 3.341 3.012 1.00 0.00 C ATOM 0 H LEU A 313 3.012 5.519 4.491 1.00 0.00 H new ATOM 0 HA LEU A 313 4.057 7.032 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 313 1.555 5.352 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 313 2.321 5.961 0.945 1.00 0.00 H new ATOM 0 HG LEU A 313 2.804 3.695 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 313 5.231 3.472 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 313 4.803 4.985 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 313 5.220 5.010 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 313 3.689 2.410 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 313 3.558 3.863 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 313 2.092 3.120 3.192 1.00 0.00 H new ATOM 1345 N SER A 314 2.437 8.907 2.434 1.00 0.00 N ATOM 1346 CA SER A 314 1.689 10.091 2.824 1.00 0.00 C ATOM 1347 C SER A 314 1.157 10.866 1.626 1.00 0.00 C ATOM 1348 O SER A 314 1.842 11.028 0.614 1.00 0.00 O ATOM 1349 CB SER A 314 2.570 11.001 3.687 1.00 0.00 C ATOM 1350 OG SER A 314 1.872 12.168 4.098 1.00 0.00 O ATOM 0 H SER A 314 3.068 9.034 1.642 1.00 0.00 H new ATOM 0 HA SER A 314 0.826 9.755 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 314 2.911 10.452 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 314 3.459 11.287 3.125 1.00 0.00 H new ATOM 0 HG SER A 314 2.462 12.725 4.648 1.00 0.00 H new ATOM 1632 N VAL A 333 -6.564 -3.482 3.706 1.00 0.00 N ATOM 1633 CA VAL A 333 -5.182 -3.748 4.056 1.00 0.00 C ATOM 1634 C VAL A 333 -5.016 -5.113 4.719 1.00 0.00 C ATOM 1635 O VAL A 333 -5.661 -5.427 5.724 1.00 0.00 O ATOM 1636 CB VAL A 333 -4.607 -2.630 4.955 1.00 0.00 C ATOM 1637 CG1 VAL A 333 -4.646 -1.305 4.214 1.00 0.00 C ATOM 1638 CG2 VAL A 333 -5.366 -2.523 6.273 1.00 0.00 C ATOM 0 HA VAL A 333 -4.615 -3.763 3.125 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.574 -2.883 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -4.240 -0.520 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -4.050 -1.379 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -5.677 -1.064 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -4.933 -1.727 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -6.413 -2.298 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -5.295 -3.468 6.812 1.00 0.00 H new ATOM 1648 N GLU A 334 -4.163 -5.927 4.121 1.00 0.00 N ATOM 1649 CA GLU A 334 -3.839 -7.241 4.644 1.00 0.00 C ATOM 1650 C GLU A 334 -2.386 -7.561 4.314 1.00 0.00 C ATOM 1651 O GLU A 334 -1.875 -7.130 3.287 1.00 0.00 O ATOM 1652 CB GLU A 334 -4.787 -8.287 4.053 1.00 0.00 C ATOM 1653 CG GLU A 334 -4.765 -8.346 2.532 1.00 0.00 C ATOM 1654 CD GLU A 334 -6.130 -8.639 1.943 1.00 0.00 C ATOM 1655 OE1 GLU A 334 -6.618 -9.781 2.086 1.00 0.00 O ATOM 1656 OE2 GLU A 334 -6.725 -7.728 1.339 1.00 0.00 O1- ATOM 0 H GLU A 334 -3.675 -5.693 3.256 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.963 -7.255 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.524 -9.268 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -5.803 -8.072 4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.400 -7.397 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -4.062 -9.115 2.212 1.00 0.00 H new ATOM 1663 N ALA A 335 -1.713 -8.275 5.203 1.00 0.00 N ATOM 1664 CA ALA A 335 -0.291 -8.533 5.035 1.00 0.00 C ATOM 1665 C ALA A 335 -0.034 -9.924 4.450 1.00 0.00 C ATOM 1666 O ALA A 335 -0.737 -10.878 4.787 1.00 0.00 O ATOM 1667 CB ALA A 335 0.425 -8.390 6.370 1.00 0.00 C ATOM 0 H ALA A 335 -2.124 -8.684 6.042 1.00 0.00 H new ATOM 0 HA ALA A 335 0.100 -7.798 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.489 -8.585 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 335 0.287 -7.378 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 335 0.013 -9.105 7.082 1.00 0.00 H new ATOM 1673 N GLY A 336 0.972 -10.044 3.584 1.00 0.00 N ATOM 1674 CA GLY A 336 1.392 -11.357 3.126 1.00 0.00 C ATOM 1675 C GLY A 336 1.487 -11.471 1.617 1.00 0.00 C ATOM 1676 O GLY A 336 1.622 -12.573 1.084 1.00 0.00 O ATOM 0 H GLY A 336 1.499 -9.262 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 336 2.363 -11.591 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 336 0.689 -12.104 3.495 1.00 0.00 H new ATOM 1680 N ASP A 337 1.415 -10.348 0.927 1.00 0.00 N ATOM 1681 CA ASP A 337 1.478 -10.334 -0.528 1.00 0.00 C ATOM 1682 C ASP A 337 2.847 -9.849 -1.016 1.00 0.00 C ATOM 1683 O ASP A 337 3.852 -10.004 -0.314 1.00 0.00 O ATOM 1684 CB ASP A 337 0.364 -9.451 -1.076 1.00 0.00 C ATOM 1685 CG ASP A 337 0.458 -8.025 -0.582 1.00 0.00 C ATOM 1686 OD1 ASP A 337 0.668 -7.122 -1.415 1.00 0.00 O ATOM 1687 OD2 ASP A 337 0.337 -7.817 0.642 1.00 0.00 O1- ATOM 0 H ASP A 337 1.312 -9.426 1.352 1.00 0.00 H new ATOM 0 HA ASP A 337 1.341 -11.351 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 337 0.402 -9.458 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -0.601 -9.869 -0.788 1.00 0.00 H new ATOM 1692 N ALA A 338 2.890 -9.274 -2.218 1.00 0.00 N ATOM 1693 CA ALA A 338 4.155 -8.909 -2.847 1.00 0.00 C ATOM 1694 C ALA A 338 4.177 -7.439 -3.265 1.00 0.00 C ATOM 1695 O ALA A 338 3.202 -6.914 -3.800 1.00 0.00 O ATOM 1696 CB ALA A 338 4.414 -9.805 -4.052 1.00 0.00 C ATOM 0 H ALA A 338 2.064 -9.052 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 338 4.947 -9.052 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 338 5.360 -9.526 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 338 4.461 -10.845 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 338 3.607 -9.686 -4.774 1.00 0.00 H new ATOM 1702 N VAL A 339 5.316 -6.796 -3.046 1.00 0.00 N ATOM 1703 CA VAL A 339 5.482 -5.377 -3.332 1.00 0.00 C ATOM 1704 C VAL A 339 6.274 -5.176 -4.627 1.00 0.00 C ATOM 1705 O VAL A 339 7.159 -5.965 -4.952 1.00 0.00 O ATOM 1706 CB VAL A 339 6.216 -4.665 -2.159 1.00 0.00 C ATOM 1707 CG1 VAL A 339 6.573 -3.226 -2.513 1.00 0.00 C ATOM 1708 CG2 VAL A 339 5.362 -4.679 -0.910 1.00 0.00 C ATOM 0 H VAL A 339 6.150 -7.243 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 339 4.490 -4.940 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 339 7.139 -5.214 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 339 7.084 -2.760 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 339 7.228 -3.217 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 339 5.663 -2.670 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 339 5.892 -4.177 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 339 4.423 -4.161 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 339 5.154 -5.710 -0.623 1.00 0.00 H new ATOM 1718 N SER A 340 5.931 -4.134 -5.367 1.00 0.00 N ATOM 1719 CA SER A 340 6.656 -3.761 -6.570 1.00 0.00 C ATOM 1720 C SER A 340 6.715 -2.236 -6.677 1.00 0.00 C ATOM 1721 O SER A 340 6.169 -1.535 -5.829 1.00 0.00 O ATOM 1722 CB SER A 340 5.973 -4.356 -7.800 1.00 0.00 C ATOM 1723 OG SER A 340 5.697 -5.734 -7.619 1.00 0.00 O ATOM 0 H SER A 340 5.143 -3.524 -5.151 1.00 0.00 H new ATOM 0 HA SER A 340 7.672 -4.153 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 340 5.045 -3.820 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 340 6.611 -4.222 -8.673 1.00 0.00 H new ATOM 0 HG SER A 340 5.877 -6.216 -8.453 1.00 0.00 H new ATOM 1729 N VAL A 341 7.366 -1.731 -7.715 1.00 0.00 N ATOM 1730 CA VAL A 341 7.582 -0.297 -7.873 1.00 0.00 C ATOM 1731 C VAL A 341 6.892 0.214 -9.139 1.00 0.00 C ATOM 1732 O VAL A 341 6.863 -0.474 -10.160 1.00 0.00 O ATOM 1733 CB VAL A 341 9.098 0.029 -7.944 1.00 0.00 C ATOM 1734 CG1 VAL A 341 9.337 1.528 -8.069 1.00 0.00 C ATOM 1735 CG2 VAL A 341 9.823 -0.524 -6.727 1.00 0.00 C ATOM 0 H VAL A 341 7.758 -2.298 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 341 7.153 0.202 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 341 9.499 -0.451 -8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 341 10.408 1.723 -8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 341 8.860 1.898 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 341 8.913 2.037 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 341 10.884 -0.285 -6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 341 9.409 -0.078 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 341 9.697 -1.606 -6.689 1.00 0.00 H new ATOM 1745 N VAL A 342 6.316 1.409 -9.056 1.00 0.00 N ATOM 1746 CA VAL A 342 5.679 2.040 -10.209 1.00 0.00 C ATOM 1747 C VAL A 342 6.629 3.029 -10.882 1.00 0.00 C ATOM 1748 O VAL A 342 6.752 3.052 -12.107 1.00 0.00 O ATOM 1749 CB VAL A 342 4.376 2.771 -9.813 1.00 0.00 C ATOM 1750 CG1 VAL A 342 3.804 3.551 -10.993 1.00 0.00 C ATOM 1751 CG2 VAL A 342 3.349 1.776 -9.298 1.00 0.00 C ATOM 0 H VAL A 342 6.277 1.962 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 342 5.430 1.243 -10.910 1.00 0.00 H new ATOM 0 HB VAL A 342 4.614 3.479 -9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 342 2.888 4.055 -10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 342 4.531 4.291 -11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.584 2.864 -11.811 1.00 0.00 H new ATOM 0 HG21 VAL A 342 2.436 2.305 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 342 3.125 1.048 -10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.748 1.261 -8.424 1.00 0.00 H new