USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 576 hydrogens (19 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 NoAdj-H: B 4 M3L H2 : B 4 M3L N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 M3L H : B 4 M3L N : B 3 THR C :(H bumps) USER MOD Set 1.1: A 284 SER OG : rot 180:sc= 0.444 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.11 K(o=1.6,f=0.9) USER MOD Set 2.1: A 271 CYS SG : rot 180:sc= 0.0318 USER MOD Set 2.2: A 273 ASN : amide:sc= 0 X(o=0.032,f=0.032) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 253 CYS SG : rot 180:sc= 0.00724 USER MOD Single : A 258 GLN : amide:sc= 0.526 K(o=0.53,f=-0.94) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.73) USER MOD Single : A 266 LYS NZ :NH3+ 136:sc= 1.11 (180deg=-0.0406) USER MOD Single : A 277 SER OG : rot -33:sc= 0.00582 USER MOD Single : A 282 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.04) USER MOD Single : A 288 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.43) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 292 GLN : amide:sc= 1.1 K(o=1.1,f=-0.28) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.1) USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 141:sc= 1.15 (180deg=0.273) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : B 6 THR OG1 : rot 94:sc= 0.0653 USER MOD Single : B 9 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.84) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 31.195 9.030 -10.575 1.00 0.00 N ATOM 2 CA GLY A 239 30.954 7.861 -9.702 1.00 0.00 C ATOM 3 C GLY A 239 30.552 6.646 -10.521 1.00 0.00 C ATOM 4 O GLY A 239 31.331 6.171 -11.347 1.00 0.00 O ATOM 0 HA2 GLY A 239 31.855 7.637 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 239 30.170 8.095 -8.982 1.00 0.00 H new ATOM 10 N SER A 240 29.336 6.136 -10.320 1.00 0.00 N ATOM 11 CA SER A 240 28.778 4.961 -11.015 1.00 0.00 C ATOM 12 C SER A 240 27.240 4.915 -10.876 1.00 0.00 C ATOM 13 O SER A 240 26.648 5.675 -10.103 1.00 0.00 O ATOM 14 CB SER A 240 29.420 3.670 -10.474 1.00 0.00 C ATOM 15 OG SER A 240 29.137 2.557 -11.314 1.00 0.00 O ATOM 0 H SER A 240 28.685 6.539 -9.646 1.00 0.00 H new ATOM 0 HA SER A 240 29.011 5.044 -12.077 1.00 0.00 H new ATOM 0 HB2 SER A 240 30.499 3.804 -10.396 1.00 0.00 H new ATOM 0 HB3 SER A 240 29.050 3.472 -9.468 1.00 0.00 H new ATOM 0 HG SER A 240 29.559 1.753 -10.945 1.00 0.00 H new ATOM 21 N SER A 241 26.577 4.021 -11.612 1.00 0.00 N ATOM 22 CA SER A 241 25.116 3.851 -11.636 1.00 0.00 C ATOM 23 C SER A 241 24.717 2.455 -12.158 1.00 0.00 C ATOM 24 O SER A 241 25.356 1.903 -13.062 1.00 0.00 O ATOM 25 CB SER A 241 24.441 4.972 -12.453 1.00 0.00 C ATOM 26 OG SER A 241 24.922 5.058 -13.792 1.00 0.00 O ATOM 0 H SER A 241 27.057 3.369 -12.232 1.00 0.00 H new ATOM 0 HA SER A 241 24.758 3.926 -10.609 1.00 0.00 H new ATOM 0 HB2 SER A 241 23.364 4.802 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 241 24.605 5.926 -11.953 1.00 0.00 H new ATOM 0 HG SER A 241 24.458 5.783 -14.260 1.00 0.00 H new ATOM 32 N GLY A 242 23.676 1.859 -11.554 1.00 0.00 N ATOM 33 CA GLY A 242 23.209 0.487 -11.823 1.00 0.00 C ATOM 34 C GLY A 242 21.686 0.336 -11.879 1.00 0.00 C ATOM 35 O GLY A 242 21.172 -0.759 -11.658 1.00 0.00 O ATOM 0 H GLY A 242 23.118 2.332 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 242 23.630 0.152 -12.771 1.00 0.00 H new ATOM 0 HA3 GLY A 242 23.599 -0.175 -11.050 1.00 0.00 H new ATOM 39 N SER A 243 20.968 1.422 -12.165 1.00 0.00 N ATOM 40 CA SER A 243 19.499 1.504 -12.119 1.00 0.00 C ATOM 41 C SER A 243 18.959 2.342 -13.291 1.00 0.00 C ATOM 42 O SER A 243 19.575 3.333 -13.693 1.00 0.00 O ATOM 43 CB SER A 243 19.040 2.136 -10.791 1.00 0.00 C ATOM 44 OG SER A 243 19.432 1.359 -9.662 1.00 0.00 O ATOM 0 H SER A 243 21.403 2.301 -12.445 1.00 0.00 H new ATOM 0 HA SER A 243 19.106 0.490 -12.197 1.00 0.00 H new ATOM 0 HB2 SER A 243 19.459 3.138 -10.703 1.00 0.00 H new ATOM 0 HB3 SER A 243 17.955 2.243 -10.797 1.00 0.00 H new ATOM 0 HG SER A 243 19.123 1.796 -8.841 1.00 0.00 H new ATOM 50 N SER A 244 17.801 1.966 -13.840 1.00 0.00 N ATOM 51 CA SER A 244 17.140 2.673 -14.949 1.00 0.00 C ATOM 52 C SER A 244 15.823 3.313 -14.479 1.00 0.00 C ATOM 53 O SER A 244 14.979 2.651 -13.865 1.00 0.00 O ATOM 54 CB SER A 244 16.895 1.701 -16.111 1.00 0.00 C ATOM 55 OG SER A 244 16.421 2.395 -17.258 1.00 0.00 O ATOM 0 H SER A 244 17.284 1.146 -13.523 1.00 0.00 H new ATOM 0 HA SER A 244 17.792 3.475 -15.296 1.00 0.00 H new ATOM 0 HB2 SER A 244 17.819 1.177 -16.354 1.00 0.00 H new ATOM 0 HB3 SER A 244 16.169 0.945 -15.812 1.00 0.00 H new ATOM 0 HG SER A 244 16.273 1.758 -17.988 1.00 0.00 H new ATOM 61 N GLY A 245 15.656 4.613 -14.753 1.00 0.00 N ATOM 62 CA GLY A 245 14.466 5.407 -14.427 1.00 0.00 C ATOM 63 C GLY A 245 14.128 6.416 -15.524 1.00 0.00 C ATOM 64 O GLY A 245 15.014 6.897 -16.232 1.00 0.00 O ATOM 0 H GLY A 245 16.374 5.161 -15.226 1.00 0.00 H new ATOM 0 HA2 GLY A 245 13.617 4.741 -14.274 1.00 0.00 H new ATOM 0 HA3 GLY A 245 14.630 5.935 -13.488 1.00 0.00 H new ATOM 68 N GLU A 246 12.844 6.752 -15.640 1.00 0.00 N ATOM 69 CA GLU A 246 12.286 7.676 -16.632 1.00 0.00 C ATOM 70 C GLU A 246 11.108 8.435 -16.008 1.00 0.00 C ATOM 71 O GLU A 246 10.319 7.854 -15.258 1.00 0.00 O ATOM 72 CB GLU A 246 11.805 6.909 -17.879 1.00 0.00 C ATOM 73 CG GLU A 246 12.917 6.342 -18.777 1.00 0.00 C ATOM 74 CD GLU A 246 13.821 7.411 -19.424 1.00 0.00 C ATOM 75 OE1 GLU A 246 13.408 8.587 -19.563 1.00 0.00 O ATOM 76 OE2 GLU A 246 14.950 7.064 -19.849 1.00 0.00 O ATOM 0 H GLU A 246 12.131 6.372 -15.018 1.00 0.00 H new ATOM 0 HA GLU A 246 13.062 8.378 -16.936 1.00 0.00 H new ATOM 0 HB2 GLU A 246 11.169 6.086 -17.555 1.00 0.00 H new ATOM 0 HB3 GLU A 246 11.184 7.576 -18.477 1.00 0.00 H new ATOM 0 HG2 GLU A 246 13.537 5.669 -18.185 1.00 0.00 H new ATOM 0 HG3 GLU A 246 12.461 5.744 -19.566 1.00 0.00 H new ATOM 83 N ILE A 247 10.984 9.731 -16.307 1.00 0.00 N ATOM 84 CA ILE A 247 9.979 10.630 -15.705 1.00 0.00 C ATOM 85 C ILE A 247 8.570 10.197 -16.145 1.00 0.00 C ATOM 86 O ILE A 247 8.180 10.402 -17.296 1.00 0.00 O ATOM 87 CB ILE A 247 10.280 12.114 -16.046 1.00 0.00 C ATOM 88 CG1 ILE A 247 11.717 12.512 -15.621 1.00 0.00 C ATOM 89 CG2 ILE A 247 9.245 13.031 -15.362 1.00 0.00 C ATOM 90 CD1 ILE A 247 12.127 13.937 -16.015 1.00 0.00 C ATOM 0 H ILE A 247 11.586 10.199 -16.985 1.00 0.00 H new ATOM 0 HA ILE A 247 10.028 10.552 -14.619 1.00 0.00 H new ATOM 0 HB ILE A 247 10.209 12.235 -17.127 1.00 0.00 H new ATOM 0 HG12 ILE A 247 11.804 12.409 -14.539 1.00 0.00 H new ATOM 0 HG13 ILE A 247 12.421 11.809 -16.066 1.00 0.00 H new ATOM 0 HG21 ILE A 247 9.463 14.071 -15.606 1.00 0.00 H new ATOM 0 HG22 ILE A 247 8.245 12.777 -15.714 1.00 0.00 H new ATOM 0 HG23 ILE A 247 9.295 12.894 -14.282 1.00 0.00 H new ATOM 0 HD11 ILE A 247 13.146 14.129 -15.678 1.00 0.00 H new ATOM 0 HD12 ILE A 247 12.077 14.044 -17.099 1.00 0.00 H new ATOM 0 HD13 ILE A 247 11.450 14.653 -15.548 1.00 0.00 H new ATOM 102 N SER A 248 7.834 9.546 -15.240 1.00 0.00 N ATOM 103 CA SER A 248 6.514 8.925 -15.484 1.00 0.00 C ATOM 104 C SER A 248 6.543 7.807 -16.558 1.00 0.00 C ATOM 105 O SER A 248 5.501 7.427 -17.101 1.00 0.00 O ATOM 106 CB SER A 248 5.441 9.992 -15.783 1.00 0.00 C ATOM 107 OG SER A 248 5.342 10.940 -14.723 1.00 0.00 O ATOM 0 H SER A 248 8.147 9.428 -14.276 1.00 0.00 H new ATOM 0 HA SER A 248 6.237 8.423 -14.557 1.00 0.00 H new ATOM 0 HB2 SER A 248 5.686 10.507 -16.712 1.00 0.00 H new ATOM 0 HB3 SER A 248 4.476 9.508 -15.932 1.00 0.00 H new ATOM 0 HG SER A 248 4.656 11.604 -14.941 1.00 0.00 H new ATOM 113 N GLY A 249 7.731 7.273 -16.883 1.00 0.00 N ATOM 114 CA GLY A 249 7.965 6.341 -18.000 1.00 0.00 C ATOM 115 C GLY A 249 7.732 4.858 -17.684 1.00 0.00 C ATOM 116 O GLY A 249 7.991 4.014 -18.543 1.00 0.00 O ATOM 0 H GLY A 249 8.581 7.484 -16.361 1.00 0.00 H new ATOM 0 HA2 GLY A 249 7.316 6.624 -18.828 1.00 0.00 H new ATOM 0 HA3 GLY A 249 8.992 6.464 -18.344 1.00 0.00 H new ATOM 120 N PHE A 250 7.243 4.537 -16.481 1.00 0.00 N ATOM 121 CA PHE A 250 6.965 3.177 -16.004 1.00 0.00 C ATOM 122 C PHE A 250 5.668 3.143 -15.177 1.00 0.00 C ATOM 123 O PHE A 250 5.432 4.014 -14.339 1.00 0.00 O ATOM 124 CB PHE A 250 8.157 2.665 -15.176 1.00 0.00 C ATOM 125 CG PHE A 250 9.407 2.353 -15.979 1.00 0.00 C ATOM 126 CD1 PHE A 250 9.530 1.107 -16.626 1.00 0.00 C ATOM 127 CD2 PHE A 250 10.454 3.292 -16.074 1.00 0.00 C ATOM 128 CE1 PHE A 250 10.689 0.800 -17.360 1.00 0.00 C ATOM 129 CE2 PHE A 250 11.614 2.985 -16.808 1.00 0.00 C ATOM 130 CZ PHE A 250 11.732 1.739 -17.451 1.00 0.00 C ATOM 0 H PHE A 250 7.021 5.247 -15.784 1.00 0.00 H new ATOM 0 HA PHE A 250 6.826 2.522 -16.864 1.00 0.00 H new ATOM 0 HB2 PHE A 250 8.404 3.412 -14.422 1.00 0.00 H new ATOM 0 HB3 PHE A 250 7.851 1.764 -14.644 1.00 0.00 H new ATOM 0 HD1 PHE A 250 8.730 0.385 -16.558 1.00 0.00 H new ATOM 0 HD2 PHE A 250 10.365 4.249 -15.582 1.00 0.00 H new ATOM 0 HE1 PHE A 250 10.778 -0.156 -17.854 1.00 0.00 H new ATOM 0 HE2 PHE A 250 12.415 3.706 -16.878 1.00 0.00 H new ATOM 0 HZ PHE A 250 12.623 1.504 -18.014 1.00 0.00 H new ATOM 140 N GLY A 251 4.843 2.112 -15.398 1.00 0.00 N ATOM 141 CA GLY A 251 3.536 1.915 -14.742 1.00 0.00 C ATOM 142 C GLY A 251 3.580 1.091 -13.449 1.00 0.00 C ATOM 143 O GLY A 251 2.528 0.737 -12.920 1.00 0.00 O ATOM 0 H GLY A 251 5.070 1.367 -16.057 1.00 0.00 H new ATOM 0 HA2 GLY A 251 3.107 2.892 -14.519 1.00 0.00 H new ATOM 0 HA3 GLY A 251 2.863 1.425 -15.445 1.00 0.00 H new ATOM 147 N GLN A 252 4.774 0.772 -12.939 1.00 0.00 N ATOM 148 CA GLN A 252 4.997 -0.136 -11.803 1.00 0.00 C ATOM 149 C GLN A 252 5.004 0.594 -10.438 1.00 0.00 C ATOM 150 O GLN A 252 5.458 0.039 -9.435 1.00 0.00 O ATOM 151 CB GLN A 252 6.288 -0.937 -12.081 1.00 0.00 C ATOM 152 CG GLN A 252 6.341 -2.299 -11.364 1.00 0.00 C ATOM 153 CD GLN A 252 7.602 -3.084 -11.733 1.00 0.00 C ATOM 154 OE1 GLN A 252 7.653 -3.810 -12.719 1.00 0.00 O ATOM 155 NE2 GLN A 252 8.671 -2.971 -10.967 1.00 0.00 N ATOM 0 H GLN A 252 5.643 1.150 -13.317 1.00 0.00 H new ATOM 0 HA GLN A 252 4.160 -0.829 -11.718 1.00 0.00 H new ATOM 0 HB2 GLN A 252 6.380 -1.099 -13.155 1.00 0.00 H new ATOM 0 HB3 GLN A 252 7.147 -0.341 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 252 6.311 -2.144 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 252 5.459 -2.883 -11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 252 8.646 -2.371 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 252 9.522 -3.483 -11.200 1.00 0.00 H new ATOM 164 N CYS A 253 4.517 1.841 -10.374 1.00 0.00 N ATOM 165 CA CYS A 253 4.431 2.642 -9.147 1.00 0.00 C ATOM 166 C CYS A 253 3.604 1.925 -8.060 1.00 0.00 C ATOM 167 O CYS A 253 2.417 1.638 -8.247 1.00 0.00 O ATOM 168 CB CYS A 253 3.862 4.029 -9.492 1.00 0.00 C ATOM 169 SG CYS A 253 4.970 4.884 -10.653 1.00 0.00 S ATOM 0 H CYS A 253 4.163 2.332 -11.195 1.00 0.00 H new ATOM 0 HA CYS A 253 5.429 2.770 -8.728 1.00 0.00 H new ATOM 0 HB2 CYS A 253 2.870 3.925 -9.932 1.00 0.00 H new ATOM 0 HB3 CYS A 253 3.747 4.620 -8.584 1.00 0.00 H new ATOM 0 HG CYS A 253 4.479 6.053 -10.940 1.00 0.00 H new ATOM 175 N LEU A 254 4.249 1.638 -6.928 1.00 0.00 N ATOM 176 CA LEU A 254 3.757 0.820 -5.820 1.00 0.00 C ATOM 177 C LEU A 254 2.474 1.405 -5.228 1.00 0.00 C ATOM 178 O LEU A 254 2.420 2.599 -4.942 1.00 0.00 O ATOM 179 CB LEU A 254 4.880 0.730 -4.770 1.00 0.00 C ATOM 180 CG LEU A 254 4.504 -0.010 -3.471 1.00 0.00 C ATOM 181 CD1 LEU A 254 4.300 -1.500 -3.753 1.00 0.00 C ATOM 182 CD2 LEU A 254 5.595 0.172 -2.409 1.00 0.00 C ATOM 0 H LEU A 254 5.188 1.994 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 254 3.501 -0.179 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 254 5.737 0.229 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 254 5.199 1.740 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 254 3.574 0.414 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 254 4.035 -2.012 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 254 3.498 -1.626 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.222 -1.924 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 254 5.310 -0.358 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 254 6.537 -0.229 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 254 5.714 1.233 -2.188 1.00 0.00 H new ATOM 194 N VAL A 255 1.471 0.556 -5.016 1.00 0.00 N ATOM 195 CA VAL A 255 0.109 0.942 -4.625 1.00 0.00 C ATOM 196 C VAL A 255 -0.102 0.676 -3.133 1.00 0.00 C ATOM 197 O VAL A 255 0.304 -0.366 -2.613 1.00 0.00 O ATOM 198 CB VAL A 255 -0.941 0.182 -5.469 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.372 0.679 -5.192 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.646 0.319 -6.975 1.00 0.00 C ATOM 0 H VAL A 255 1.583 -0.453 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 255 -0.018 2.008 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.873 -0.866 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.077 0.118 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.611 0.532 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.442 1.739 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.400 -0.225 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.669 1.372 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.340 -0.093 -7.192 1.00 0.00 H new ATOM 210 N TRP A 256 -0.763 1.619 -2.461 1.00 0.00 N ATOM 211 CA TRP A 256 -1.081 1.568 -1.035 1.00 0.00 C ATOM 212 C TRP A 256 -2.544 1.975 -0.785 1.00 0.00 C ATOM 213 O TRP A 256 -3.081 2.851 -1.470 1.00 0.00 O ATOM 214 CB TRP A 256 -0.134 2.498 -0.268 1.00 0.00 C ATOM 215 CG TRP A 256 1.333 2.220 -0.307 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.177 2.543 -1.311 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.161 1.609 0.730 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.464 2.196 -0.956 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.514 1.601 0.284 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.903 1.063 2.003 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.561 1.070 1.053 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.938 0.497 2.768 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.265 0.504 2.303 1.00 0.00 C ATOM 0 H TRP A 256 -1.103 2.469 -2.911 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.951 0.545 -0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.289 3.510 -0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.443 2.495 0.777 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.889 3.001 -2.246 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.282 2.361 -1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.897 1.079 2.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.578 1.096 0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.711 0.051 3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.053 0.076 2.905 1.00 0.00 H new ATOM 234 N VAL A 257 -3.169 1.358 0.220 1.00 0.00 N ATOM 235 CA VAL A 257 -4.603 1.508 0.549 1.00 0.00 C ATOM 236 C VAL A 257 -4.800 1.813 2.027 1.00 0.00 C ATOM 237 O VAL A 257 -4.271 1.097 2.874 1.00 0.00 O ATOM 238 CB VAL A 257 -5.418 0.239 0.206 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.853 0.256 -1.257 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.675 -1.075 0.502 1.00 0.00 C ATOM 0 H VAL A 257 -2.684 0.720 0.851 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.964 2.339 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.289 0.266 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.425 -0.646 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.473 1.133 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.972 0.293 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.310 -1.920 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.756 -1.113 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.432 -1.124 1.563 1.00 0.00 H new ATOM 250 N GLN A 258 -5.562 2.867 2.333 1.00 0.00 N ATOM 251 CA GLN A 258 -5.866 3.255 3.708 1.00 0.00 C ATOM 252 C GLN A 258 -7.137 2.563 4.218 1.00 0.00 C ATOM 253 O GLN A 258 -8.179 2.588 3.557 1.00 0.00 O ATOM 254 CB GLN A 258 -5.983 4.779 3.841 1.00 0.00 C ATOM 255 CG GLN A 258 -5.958 5.194 5.325 1.00 0.00 C ATOM 256 CD GLN A 258 -5.941 6.706 5.545 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.686 7.463 4.940 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.110 7.203 6.439 1.00 0.00 N ATOM 0 H GLN A 258 -5.985 3.474 1.631 1.00 0.00 H new ATOM 0 HA GLN A 258 -5.035 2.925 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.163 5.261 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.908 5.121 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.831 4.774 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.079 4.758 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.482 6.584 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.094 8.207 6.618 1.00 0.00 H new ATOM 267 N CYS A 259 -7.043 1.996 5.423 1.00 0.00 N ATOM 268 CA CYS A 259 -8.143 1.395 6.169 1.00 0.00 C ATOM 269 C CYS A 259 -9.341 2.360 6.344 1.00 0.00 C ATOM 270 O CYS A 259 -9.172 3.546 6.651 1.00 0.00 O ATOM 271 CB CYS A 259 -7.569 0.964 7.523 1.00 0.00 C ATOM 272 SG CYS A 259 -8.725 -0.158 8.347 1.00 0.00 S ATOM 0 H CYS A 259 -6.157 1.943 5.925 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.544 0.543 5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.608 0.471 7.381 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.389 1.839 8.148 1.00 0.00 H new ATOM 277 N SER A 260 -10.561 1.856 6.162 1.00 0.00 N ATOM 278 CA SER A 260 -11.808 2.626 6.289 1.00 0.00 C ATOM 279 C SER A 260 -12.107 3.105 7.720 1.00 0.00 C ATOM 280 O SER A 260 -12.847 4.079 7.892 1.00 0.00 O ATOM 281 CB SER A 260 -13.001 1.816 5.747 1.00 0.00 C ATOM 282 OG SER A 260 -13.141 0.556 6.393 1.00 0.00 O ATOM 0 H SER A 260 -10.719 0.879 5.916 1.00 0.00 H new ATOM 0 HA SER A 260 -11.661 3.525 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.917 2.392 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.874 1.660 4.676 1.00 0.00 H new ATOM 0 HG SER A 260 -13.911 0.080 6.017 1.00 0.00 H new ATOM 288 N PHE A 261 -11.534 2.466 8.750 1.00 0.00 N ATOM 289 CA PHE A 261 -11.712 2.881 10.138 1.00 0.00 C ATOM 290 C PHE A 261 -10.808 4.069 10.512 1.00 0.00 C ATOM 291 O PHE A 261 -9.604 4.039 10.232 1.00 0.00 O ATOM 292 CB PHE A 261 -11.478 1.701 11.083 1.00 0.00 C ATOM 293 CG PHE A 261 -12.495 0.589 10.952 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.795 0.762 11.462 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.136 -0.623 10.335 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.736 -0.278 11.348 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.072 -1.665 10.234 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.375 -1.490 10.732 1.00 0.00 C ATOM 0 H PHE A 261 -10.935 1.648 8.638 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.742 3.220 10.246 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.484 1.293 10.897 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.486 2.066 12.110 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.070 1.691 11.940 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.140 -0.752 9.939 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.736 -0.146 11.734 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.791 -2.601 9.774 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.099 -2.286 10.642 1.00 0.00 H new ATOM 308 N PRO A 262 -11.361 5.083 11.206 1.00 0.00 N ATOM 309 CA PRO A 262 -10.632 6.277 11.627 1.00 0.00 C ATOM 310 C PRO A 262 -9.635 5.982 12.756 1.00 0.00 C ATOM 311 O PRO A 262 -8.571 6.596 12.814 1.00 0.00 O ATOM 312 CB PRO A 262 -11.724 7.243 12.088 1.00 0.00 C ATOM 313 CG PRO A 262 -12.848 6.339 12.592 1.00 0.00 C ATOM 314 CD PRO A 262 -12.745 5.140 11.661 1.00 0.00 C ATOM 0 HA PRO A 262 -10.024 6.684 10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.363 7.904 12.876 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.063 7.879 11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.706 6.057 13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.822 6.824 12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.020 4.222 12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.426 5.245 10.817 1.00 0.00 H new ATOM 322 N ASN A 263 -9.950 5.008 13.617 1.00 0.00 N ATOM 323 CA ASN A 263 -9.058 4.506 14.671 1.00 0.00 C ATOM 324 C ASN A 263 -7.905 3.618 14.142 1.00 0.00 C ATOM 325 O ASN A 263 -6.987 3.288 14.899 1.00 0.00 O ATOM 326 CB ASN A 263 -9.903 3.785 15.736 1.00 0.00 C ATOM 327 CG ASN A 263 -10.652 2.570 15.188 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.063 1.564 14.816 1.00 0.00 O ATOM 329 ND2 ASN A 263 -11.970 2.635 15.103 1.00 0.00 N ATOM 0 H ASN A 263 -10.854 4.535 13.601 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.555 5.362 15.120 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.254 3.466 16.551 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.622 4.488 16.157 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.496 1.846 14.727 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.460 3.474 15.413 1.00 0.00 H new ATOM 336 N CYS A 264 -7.932 3.273 12.847 1.00 0.00 N ATOM 337 CA CYS A 264 -6.865 2.582 12.126 1.00 0.00 C ATOM 338 C CYS A 264 -6.061 3.612 11.319 1.00 0.00 C ATOM 339 O CYS A 264 -4.977 4.026 11.737 1.00 0.00 O ATOM 340 CB CYS A 264 -7.491 1.491 11.239 1.00 0.00 C ATOM 341 SG CYS A 264 -6.527 -0.041 11.254 1.00 0.00 S ATOM 0 H CYS A 264 -8.735 3.479 12.252 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.174 2.092 12.812 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.505 1.284 11.582 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.570 1.858 10.216 1.00 0.00 H new ATOM 346 N GLY A 265 -6.605 4.022 10.163 1.00 0.00 N ATOM 347 CA GLY A 265 -5.955 4.917 9.212 1.00 0.00 C ATOM 348 C GLY A 265 -4.675 4.334 8.607 1.00 0.00 C ATOM 349 O GLY A 265 -3.874 5.074 8.036 1.00 0.00 O ATOM 0 H GLY A 265 -7.534 3.728 9.862 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.654 5.152 8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.717 5.856 9.712 1.00 0.00 H new ATOM 353 N LYS A 266 -4.471 3.021 8.745 1.00 0.00 N ATOM 354 CA LYS A 266 -3.259 2.310 8.343 1.00 0.00 C ATOM 355 C LYS A 266 -3.181 2.130 6.824 1.00 0.00 C ATOM 356 O LYS A 266 -4.199 1.856 6.188 1.00 0.00 O ATOM 357 CB LYS A 266 -3.229 0.946 9.042 1.00 0.00 C ATOM 358 CG LYS A 266 -3.044 1.086 10.552 1.00 0.00 C ATOM 359 CD LYS A 266 -2.861 -0.306 11.154 1.00 0.00 C ATOM 360 CE LYS A 266 -2.710 -0.224 12.665 1.00 0.00 C ATOM 361 NZ LYS A 266 -3.974 0.215 13.317 1.00 0.00 N ATOM 0 H LYS A 266 -5.172 2.404 9.155 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.394 2.903 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.157 0.412 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.418 0.345 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.177 1.709 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.910 1.578 10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.718 -0.931 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.981 -0.782 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.417 -1.199 13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.910 0.473 12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.155 -0.373 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.889 1.211 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.763 0.115 12.647 1.00 0.00 H new ATOM 375 N TRP A 267 -1.981 2.237 6.247 1.00 0.00 N ATOM 376 CA TRP A 267 -1.755 2.068 4.811 1.00 0.00 C ATOM 377 C TRP A 267 -1.101 0.715 4.543 1.00 0.00 C ATOM 378 O TRP A 267 0.102 0.559 4.728 1.00 0.00 O ATOM 379 CB TRP A 267 -0.891 3.211 4.273 1.00 0.00 C ATOM 380 CG TRP A 267 -1.531 4.564 4.288 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.561 5.411 5.340 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.236 5.245 3.206 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.201 6.579 4.975 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.634 6.535 3.667 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.582 4.900 1.881 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.317 7.447 2.847 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.276 5.802 1.055 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.626 7.080 1.526 1.00 0.00 C ATOM 0 H TRP A 267 -1.131 2.446 6.770 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.713 2.095 4.292 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.027 3.256 4.859 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.604 2.975 3.248 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.148 5.206 6.317 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.337 7.376 5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.309 3.928 1.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.601 8.418 3.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.543 5.511 0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.131 7.778 0.874 1.00 0.00 H new ATOM 399 N ARG A 268 -1.885 -0.259 4.081 1.00 0.00 N ATOM 400 CA ARG A 268 -1.349 -1.569 3.695 1.00 0.00 C ATOM 401 C ARG A 268 -0.842 -1.527 2.250 1.00 0.00 C ATOM 402 O ARG A 268 -1.384 -0.804 1.401 1.00 0.00 O ATOM 403 CB ARG A 268 -2.358 -2.702 3.926 1.00 0.00 C ATOM 404 CG ARG A 268 -3.010 -2.724 5.321 1.00 0.00 C ATOM 405 CD ARG A 268 -2.051 -2.780 6.512 1.00 0.00 C ATOM 406 NE ARG A 268 -2.831 -2.915 7.752 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.362 -3.069 8.977 1.00 0.00 C ATOM 408 NH1 ARG A 268 -1.086 -2.943 9.270 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.205 -3.340 9.938 1.00 0.00 N ATOM 0 H ARG A 268 -2.894 -0.168 3.964 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.502 -1.792 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -3.145 -2.625 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.854 -3.655 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.632 -1.835 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.675 -3.586 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.367 -3.622 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.442 -1.877 6.547 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.846 -2.887 7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.414 -2.717 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.768 -3.071 10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.200 -3.428 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.868 -3.464 10.893 1.00 0.00 H new ATOM 423 N ARG A 269 0.223 -2.290 2.006 1.00 0.00 N ATOM 424 CA ARG A 269 0.979 -2.368 0.754 1.00 0.00 C ATOM 425 C ARG A 269 0.398 -3.461 -0.156 1.00 0.00 C ATOM 426 O ARG A 269 0.155 -4.577 0.312 1.00 0.00 O ATOM 427 CB ARG A 269 2.440 -2.666 1.138 1.00 0.00 C ATOM 428 CG ARG A 269 3.411 -2.517 -0.034 1.00 0.00 C ATOM 429 CD ARG A 269 4.849 -2.810 0.411 1.00 0.00 C ATOM 430 NE ARG A 269 5.740 -2.996 -0.749 1.00 0.00 N ATOM 431 CZ ARG A 269 7.053 -2.796 -0.786 1.00 0.00 C ATOM 432 NH1 ARG A 269 7.722 -2.353 0.258 1.00 0.00 N ATOM 433 NH2 ARG A 269 7.720 -3.048 -1.891 1.00 0.00 N ATOM 0 H ARG A 269 0.605 -2.909 2.721 1.00 0.00 H new ATOM 0 HA ARG A 269 0.919 -1.435 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.743 -1.993 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.506 -3.681 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.128 -3.198 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.349 -1.506 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.216 -1.989 1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.865 -3.706 1.032 1.00 0.00 H new ATOM 0 HE ARG A 269 5.302 -3.312 -1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 269 7.232 -2.152 1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 269 8.730 -2.211 0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 269 7.229 -3.395 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 269 8.728 -2.896 -1.924 1.00 0.00 H new ATOM 447 N LEU A 270 0.179 -3.158 -1.440 1.00 0.00 N ATOM 448 CA LEU A 270 -0.435 -4.070 -2.421 1.00 0.00 C ATOM 449 C LEU A 270 0.550 -4.519 -3.512 1.00 0.00 C ATOM 450 O LEU A 270 1.604 -3.915 -3.717 1.00 0.00 O ATOM 451 CB LEU A 270 -1.661 -3.391 -3.066 1.00 0.00 C ATOM 452 CG LEU A 270 -2.791 -2.984 -2.105 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.930 -2.412 -2.955 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.330 -4.144 -1.254 1.00 0.00 C ATOM 0 H LEU A 270 0.428 -2.253 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.742 -4.966 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.322 -2.500 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.074 -4.067 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.386 -2.257 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.753 -2.111 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.570 -1.546 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.279 -3.172 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.124 -3.779 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.726 -4.921 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.523 -4.556 -0.648 1.00 0.00 H new ATOM 466 N CYS A 271 0.166 -5.572 -4.239 1.00 0.00 N ATOM 467 CA CYS A 271 0.885 -6.091 -5.407 1.00 0.00 C ATOM 468 C CYS A 271 0.838 -5.100 -6.587 1.00 0.00 C ATOM 469 O CYS A 271 -0.195 -4.479 -6.848 1.00 0.00 O ATOM 470 CB CYS A 271 0.259 -7.450 -5.766 1.00 0.00 C ATOM 471 SG CYS A 271 1.203 -8.252 -7.094 1.00 0.00 S ATOM 0 H CYS A 271 -0.678 -6.103 -4.025 1.00 0.00 H new ATOM 0 HA CYS A 271 1.942 -6.220 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 271 0.240 -8.093 -4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 271 -0.775 -7.309 -6.080 1.00 0.00 H new ATOM 0 HG CYS A 271 0.660 -9.398 -7.381 1.00 0.00 H new ATOM 477 N GLY A 272 1.932 -5.004 -7.354 1.00 0.00 N ATOM 478 CA GLY A 272 2.056 -4.117 -8.525 1.00 0.00 C ATOM 479 C GLY A 272 1.149 -4.485 -9.710 1.00 0.00 C ATOM 480 O GLY A 272 1.031 -3.700 -10.649 1.00 0.00 O ATOM 0 H GLY A 272 2.775 -5.551 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.830 -3.096 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 272 3.093 -4.126 -8.862 1.00 0.00 H new ATOM 484 N ASN A 273 0.483 -5.644 -9.657 1.00 0.00 N ATOM 485 CA ASN A 273 -0.538 -6.077 -10.622 1.00 0.00 C ATOM 486 C ASN A 273 -1.966 -5.588 -10.270 1.00 0.00 C ATOM 487 O ASN A 273 -2.908 -5.852 -11.021 1.00 0.00 O ATOM 488 CB ASN A 273 -0.490 -7.611 -10.736 1.00 0.00 C ATOM 489 CG ASN A 273 0.834 -8.115 -11.308 1.00 0.00 C ATOM 490 OD1 ASN A 273 1.265 -7.713 -12.382 1.00 0.00 O ATOM 491 ND2 ASN A 273 1.516 -9.012 -10.616 1.00 0.00 N ATOM 0 H ASN A 273 0.644 -6.329 -8.919 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.306 -5.618 -11.583 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -0.647 -8.050 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -1.309 -7.951 -11.370 1.00 0.00 H new ATOM 0 HD21 ASN A 273 2.401 -9.369 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 273 1.157 -9.347 -9.722 1.00 0.00 H new ATOM 498 N ILE A 274 -2.148 -4.885 -9.145 1.00 0.00 N ATOM 499 CA ILE A 274 -3.437 -4.338 -8.667 1.00 0.00 C ATOM 500 C ILE A 274 -3.492 -2.827 -8.950 1.00 0.00 C ATOM 501 O ILE A 274 -2.456 -2.161 -8.989 1.00 0.00 O ATOM 502 CB ILE A 274 -3.631 -4.681 -7.163 1.00 0.00 C ATOM 503 CG1 ILE A 274 -3.570 -6.214 -6.953 1.00 0.00 C ATOM 504 CG2 ILE A 274 -4.962 -4.122 -6.621 1.00 0.00 C ATOM 505 CD1 ILE A 274 -3.624 -6.671 -5.492 1.00 0.00 C ATOM 0 H ILE A 274 -1.376 -4.670 -8.514 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.267 -4.796 -9.205 1.00 0.00 H new ATOM 0 HB ILE A 274 -2.821 -4.210 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.399 -6.672 -7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -2.651 -6.591 -7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -5.063 -4.381 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -4.973 -3.038 -6.731 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -5.792 -4.552 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -3.575 -7.759 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -2.780 -6.248 -4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -4.555 -6.331 -5.039 1.00 0.00 H new ATOM 517 N ASP A 275 -4.693 -2.278 -9.150 1.00 0.00 N ATOM 518 CA ASP A 275 -4.928 -0.862 -9.465 1.00 0.00 C ATOM 519 C ASP A 275 -5.996 -0.258 -8.528 1.00 0.00 C ATOM 520 O ASP A 275 -7.055 -0.870 -8.339 1.00 0.00 O ATOM 521 CB ASP A 275 -5.359 -0.751 -10.937 1.00 0.00 C ATOM 522 CG ASP A 275 -5.361 0.700 -11.435 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.255 1.464 -11.008 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.471 1.064 -12.240 1.00 0.00 O ATOM 0 H ASP A 275 -5.555 -2.820 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.009 -0.296 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -4.686 -1.344 -11.556 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.357 -1.174 -11.054 1.00 0.00 H new ATOM 529 N PRO A 276 -5.773 0.940 -7.952 1.00 0.00 N ATOM 530 CA PRO A 276 -6.712 1.546 -7.012 1.00 0.00 C ATOM 531 C PRO A 276 -8.054 1.961 -7.639 1.00 0.00 C ATOM 532 O PRO A 276 -9.007 2.210 -6.904 1.00 0.00 O ATOM 533 CB PRO A 276 -5.964 2.721 -6.380 1.00 0.00 C ATOM 534 CG PRO A 276 -4.931 3.106 -7.434 1.00 0.00 C ATOM 535 CD PRO A 276 -4.590 1.777 -8.101 1.00 0.00 C ATOM 0 HA PRO A 276 -7.017 0.815 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.636 3.550 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.490 2.435 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.335 3.822 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.051 3.567 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.343 1.920 -9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.723 1.315 -7.630 1.00 0.00 H new ATOM 543 N SER A 277 -8.179 1.971 -8.971 1.00 0.00 N ATOM 544 CA SER A 277 -9.454 2.186 -9.674 1.00 0.00 C ATOM 545 C SER A 277 -10.382 0.948 -9.636 1.00 0.00 C ATOM 546 O SER A 277 -11.578 1.074 -9.911 1.00 0.00 O ATOM 547 CB SER A 277 -9.171 2.633 -11.120 1.00 0.00 C ATOM 548 OG SER A 277 -10.296 3.271 -11.716 1.00 0.00 O ATOM 0 H SER A 277 -7.389 1.829 -9.601 1.00 0.00 H new ATOM 0 HA SER A 277 -9.995 2.973 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.322 3.316 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.888 1.766 -11.718 1.00 0.00 H new ATOM 0 HG SER A 277 -11.121 2.868 -11.373 1.00 0.00 H new ATOM 554 N VAL A 278 -9.874 -0.235 -9.243 1.00 0.00 N ATOM 555 CA VAL A 278 -10.665 -1.484 -9.094 1.00 0.00 C ATOM 556 C VAL A 278 -10.806 -1.939 -7.627 1.00 0.00 C ATOM 557 O VAL A 278 -11.043 -3.118 -7.360 1.00 0.00 O ATOM 558 CB VAL A 278 -10.185 -2.626 -10.031 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.254 -2.201 -11.508 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.775 -3.155 -9.722 1.00 0.00 C ATOM 0 H VAL A 278 -8.887 -0.358 -9.015 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.671 -1.229 -9.426 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.877 -3.446 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.912 -3.021 -12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.283 -1.949 -11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.617 -1.331 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.522 -3.949 -10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.053 -2.344 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.748 -3.548 -8.706 1.00 0.00 H new ATOM 570 N LEU A 279 -10.674 -1.010 -6.666 1.00 0.00 N ATOM 571 CA LEU A 279 -10.784 -1.273 -5.222 1.00 0.00 C ATOM 572 C LEU A 279 -11.993 -0.559 -4.572 1.00 0.00 C ATOM 573 O LEU A 279 -12.430 0.484 -5.076 1.00 0.00 O ATOM 574 CB LEU A 279 -9.449 -0.919 -4.532 1.00 0.00 C ATOM 575 CG LEU A 279 -8.294 -1.867 -4.915 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.980 -1.360 -4.316 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.546 -3.292 -4.390 1.00 0.00 C ATOM 0 H LEU A 279 -10.483 -0.031 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.977 -2.337 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.173 0.103 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.588 -0.945 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.234 -1.889 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.170 -2.035 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.767 -0.362 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.066 -1.321 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.715 -3.937 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.631 -3.270 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.470 -3.680 -4.819 1.00 0.00 H new ATOM 589 N PRO A 280 -12.551 -1.129 -3.482 1.00 0.00 N ATOM 590 CA PRO A 280 -13.812 -0.706 -2.876 1.00 0.00 C ATOM 591 C PRO A 280 -13.669 0.570 -2.041 1.00 0.00 C ATOM 592 O PRO A 280 -12.618 0.842 -1.462 1.00 0.00 O ATOM 593 CB PRO A 280 -14.263 -1.891 -2.011 1.00 0.00 C ATOM 594 CG PRO A 280 -12.963 -2.595 -1.635 1.00 0.00 C ATOM 595 CD PRO A 280 -12.068 -2.342 -2.835 1.00 0.00 C ATOM 0 HA PRO A 280 -14.544 -0.454 -3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.804 -1.555 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.931 -2.554 -2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.534 -2.186 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -13.117 -3.661 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -11.030 -2.225 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.101 -3.186 -3.525 1.00 0.00 H new ATOM 603 N ASP A 281 -14.762 1.334 -1.939 1.00 0.00 N ATOM 604 CA ASP A 281 -14.843 2.577 -1.153 1.00 0.00 C ATOM 605 C ASP A 281 -14.839 2.345 0.373 1.00 0.00 C ATOM 606 O ASP A 281 -14.637 3.284 1.144 1.00 0.00 O ATOM 607 CB ASP A 281 -16.102 3.357 -1.562 1.00 0.00 C ATOM 608 CG ASP A 281 -16.051 3.839 -3.020 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.366 4.853 -3.292 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.716 3.215 -3.883 1.00 0.00 O ATOM 0 H ASP A 281 -15.637 1.103 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.944 3.151 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.978 2.724 -1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.222 4.217 -0.903 1.00 0.00 H new ATOM 615 N ASN A 282 -15.012 1.095 0.809 1.00 0.00 N ATOM 616 CA ASN A 282 -15.014 0.654 2.206 1.00 0.00 C ATOM 617 C ASN A 282 -13.922 -0.408 2.468 1.00 0.00 C ATOM 618 O ASN A 282 -14.084 -1.302 3.300 1.00 0.00 O ATOM 619 CB ASN A 282 -16.441 0.191 2.555 1.00 0.00 C ATOM 620 CG ASN A 282 -16.680 0.069 4.053 1.00 0.00 C ATOM 621 OD1 ASN A 282 -16.927 -1.005 4.591 1.00 0.00 O ATOM 622 ND2 ASN A 282 -16.645 1.180 4.762 1.00 0.00 N ATOM 0 H ASN A 282 -15.163 0.321 0.162 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.753 1.475 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -17.158 0.896 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.629 -0.774 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -16.824 1.150 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -16.439 2.069 4.307 1.00 0.00 H new ATOM 629 N TRP A 283 -12.808 -0.330 1.727 1.00 0.00 N ATOM 630 CA TRP A 283 -11.611 -1.146 1.950 1.00 0.00 C ATOM 631 C TRP A 283 -11.082 -1.005 3.392 1.00 0.00 C ATOM 632 O TRP A 283 -10.996 0.099 3.925 1.00 0.00 O ATOM 633 CB TRP A 283 -10.530 -0.758 0.931 1.00 0.00 C ATOM 634 CG TRP A 283 -9.380 -1.708 0.919 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.229 -2.758 0.080 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.260 -1.768 1.852 1.00 0.00 C ATOM 637 NE1 TRP A 283 -8.116 -3.486 0.454 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.500 -2.937 1.559 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.842 -0.979 2.948 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.395 -3.309 2.331 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.744 -1.353 3.737 1.00 0.00 C ATOM 642 CH2 TRP A 283 -6.034 -2.523 3.433 1.00 0.00 C ATOM 0 H TRP A 283 -12.714 0.314 0.942 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.879 -2.193 1.812 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.973 -0.718 -0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.166 0.244 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.877 -2.991 -0.752 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.791 -4.325 -0.027 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.378 -0.071 3.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.826 -4.192 2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.447 -0.741 4.576 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.202 -2.821 4.054 1.00 0.00 H new ATOM 653 N SER A 284 -10.678 -2.110 4.011 1.00 0.00 N ATOM 654 CA SER A 284 -10.144 -2.181 5.379 1.00 0.00 C ATOM 655 C SER A 284 -9.011 -3.213 5.464 1.00 0.00 C ATOM 656 O SER A 284 -8.821 -3.995 4.529 1.00 0.00 O ATOM 657 CB SER A 284 -11.268 -2.549 6.361 1.00 0.00 C ATOM 658 OG SER A 284 -11.810 -3.840 6.092 1.00 0.00 O ATOM 0 H SER A 284 -10.713 -3.023 3.558 1.00 0.00 H new ATOM 0 HA SER A 284 -9.741 -1.204 5.646 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.882 -2.523 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 284 -12.061 -1.803 6.301 1.00 0.00 H new ATOM 0 HG SER A 284 -12.520 -4.038 6.738 1.00 0.00 H new ATOM 664 N CYS A 285 -8.282 -3.265 6.587 1.00 0.00 N ATOM 665 CA CYS A 285 -7.214 -4.252 6.802 1.00 0.00 C ATOM 666 C CYS A 285 -7.685 -5.710 6.545 1.00 0.00 C ATOM 667 O CYS A 285 -6.909 -6.542 6.076 1.00 0.00 O ATOM 668 CB CYS A 285 -6.659 -4.151 8.235 1.00 0.00 C ATOM 669 SG CYS A 285 -5.979 -2.521 8.649 1.00 0.00 S ATOM 0 H CYS A 285 -8.415 -2.626 7.371 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.433 -4.017 6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.455 -4.391 8.940 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.880 -4.902 8.366 1.00 0.00 H new ATOM 674 N ASP A 286 -8.962 -6.019 6.802 1.00 0.00 N ATOM 675 CA ASP A 286 -9.587 -7.329 6.551 1.00 0.00 C ATOM 676 C ASP A 286 -9.687 -7.691 5.049 1.00 0.00 C ATOM 677 O ASP A 286 -9.904 -8.852 4.698 1.00 0.00 O ATOM 678 CB ASP A 286 -10.971 -7.335 7.219 1.00 0.00 C ATOM 679 CG ASP A 286 -11.652 -8.714 7.187 1.00 0.00 C ATOM 680 OD1 ASP A 286 -11.167 -9.642 7.877 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.698 -8.852 6.507 1.00 0.00 O ATOM 0 H ASP A 286 -9.612 -5.344 7.204 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.948 -8.099 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.869 -7.011 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.612 -6.609 6.719 1.00 0.00 H new ATOM 686 N GLN A 287 -9.491 -6.712 4.162 1.00 0.00 N ATOM 687 CA GLN A 287 -9.526 -6.837 2.702 1.00 0.00 C ATOM 688 C GLN A 287 -8.109 -6.813 2.086 1.00 0.00 C ATOM 689 O GLN A 287 -7.958 -6.685 0.869 1.00 0.00 O ATOM 690 CB GLN A 287 -10.443 -5.727 2.148 1.00 0.00 C ATOM 691 CG GLN A 287 -11.915 -5.971 2.524 1.00 0.00 C ATOM 692 CD GLN A 287 -12.787 -4.732 2.350 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.241 -4.401 1.262 1.00 0.00 O ATOM 694 NE2 GLN A 287 -13.047 -3.991 3.406 1.00 0.00 N ATOM 0 H GLN A 287 -9.292 -5.757 4.460 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.936 -7.807 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -10.122 -4.761 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.346 -5.681 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.313 -6.778 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.969 -6.304 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.675 -4.255 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.620 -3.153 3.312 1.00 0.00 H new ATOM 703 N ASN A 288 -7.058 -6.952 2.906 1.00 0.00 N ATOM 704 CA ASN A 288 -5.666 -6.988 2.452 1.00 0.00 C ATOM 705 C ASN A 288 -5.285 -8.297 1.740 1.00 0.00 C ATOM 706 O ASN A 288 -5.803 -9.374 2.058 1.00 0.00 O ATOM 707 CB ASN A 288 -4.724 -6.735 3.644 1.00 0.00 C ATOM 708 CG ASN A 288 -3.338 -6.289 3.191 1.00 0.00 C ATOM 709 OD1 ASN A 288 -3.193 -5.477 2.290 1.00 0.00 O ATOM 710 ND2 ASN A 288 -2.281 -6.834 3.759 1.00 0.00 N ATOM 0 H ASN A 288 -7.155 -7.044 3.917 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.557 -6.197 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -5.156 -5.973 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.636 -7.646 4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.345 -6.577 3.446 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.399 -7.512 4.512 1.00 0.00 H new ATOM 717 N THR A 289 -4.323 -8.201 0.813 1.00 0.00 N ATOM 718 CA THR A 289 -3.739 -9.338 0.086 1.00 0.00 C ATOM 719 C THR A 289 -2.698 -10.103 0.898 1.00 0.00 C ATOM 720 O THR A 289 -2.470 -11.278 0.620 1.00 0.00 O ATOM 721 CB THR A 289 -3.107 -8.862 -1.224 1.00 0.00 C ATOM 722 OG1 THR A 289 -2.223 -7.794 -0.954 1.00 0.00 O ATOM 723 CG2 THR A 289 -4.162 -8.369 -2.213 1.00 0.00 C ATOM 0 H THR A 289 -3.918 -7.306 0.540 1.00 0.00 H new ATOM 0 HA THR A 289 -4.561 -10.025 -0.115 1.00 0.00 H new ATOM 0 HB THR A 289 -2.580 -9.708 -1.665 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.815 -7.488 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.675 -8.039 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.854 -9.180 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.711 -7.536 -1.774 1.00 0.00 H new ATOM 731 N ASP A 290 -2.090 -9.472 1.907 1.00 0.00 N ATOM 732 CA ASP A 290 -1.003 -10.050 2.703 1.00 0.00 C ATOM 733 C ASP A 290 -1.462 -10.446 4.111 1.00 0.00 C ATOM 734 O ASP A 290 -1.887 -9.596 4.897 1.00 0.00 O ATOM 735 CB ASP A 290 0.181 -9.070 2.797 1.00 0.00 C ATOM 736 CG ASP A 290 1.542 -9.780 2.754 1.00 0.00 C ATOM 737 OD1 ASP A 290 1.601 -11.005 3.011 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.558 -9.093 2.506 1.00 0.00 O ATOM 0 H ASP A 290 -2.344 -8.528 2.199 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.684 -10.957 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.122 -8.356 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.102 -8.499 3.722 1.00 0.00 H new ATOM 743 N VAL A 291 -1.326 -11.731 4.446 1.00 0.00 N ATOM 744 CA VAL A 291 -1.807 -12.315 5.717 1.00 0.00 C ATOM 745 C VAL A 291 -1.041 -11.816 6.949 1.00 0.00 C ATOM 746 O VAL A 291 -1.542 -11.902 8.068 1.00 0.00 O ATOM 747 CB VAL A 291 -1.780 -13.861 5.708 1.00 0.00 C ATOM 748 CG1 VAL A 291 -2.659 -14.412 4.576 1.00 0.00 C ATOM 749 CG2 VAL A 291 -0.353 -14.428 5.585 1.00 0.00 C ATOM 0 H VAL A 291 -0.872 -12.413 3.838 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.839 -11.972 5.793 1.00 0.00 H new ATOM 0 HB VAL A 291 -2.179 -14.184 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -2.626 -15.501 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.687 -14.078 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -2.289 -14.048 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 291 -0.393 -15.517 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.098 -14.080 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.248 -14.088 6.429 1.00 0.00 H new ATOM 759 N GLN A 292 0.163 -11.273 6.742 1.00 0.00 N ATOM 760 CA GLN A 292 0.975 -10.671 7.803 1.00 0.00 C ATOM 761 C GLN A 292 0.438 -9.322 8.296 1.00 0.00 C ATOM 762 O GLN A 292 0.826 -8.884 9.376 1.00 0.00 O ATOM 763 CB GLN A 292 2.456 -10.582 7.403 1.00 0.00 C ATOM 764 CG GLN A 292 2.767 -10.309 5.926 1.00 0.00 C ATOM 765 CD GLN A 292 4.224 -9.897 5.669 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.121 -10.068 6.490 1.00 0.00 O ATOM 767 NE2 GLN A 292 4.530 -9.336 4.519 1.00 0.00 N ATOM 0 H GLN A 292 0.605 -11.239 5.823 1.00 0.00 H new ATOM 0 HA GLN A 292 0.899 -11.348 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 292 2.920 -9.795 7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 292 2.938 -11.519 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.544 -11.204 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.106 -9.521 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 292 3.805 -9.182 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.492 -9.056 4.328 1.00 0.00 H new ATOM 776 N TYR A 293 -0.476 -8.692 7.549 1.00 0.00 N ATOM 777 CA TYR A 293 -1.096 -7.404 7.896 1.00 0.00 C ATOM 778 C TYR A 293 -2.601 -7.346 7.553 1.00 0.00 C ATOM 779 O TYR A 293 -3.158 -6.274 7.318 1.00 0.00 O ATOM 780 CB TYR A 293 -0.291 -6.255 7.264 1.00 0.00 C ATOM 781 CG TYR A 293 1.155 -6.152 7.718 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.178 -6.861 7.057 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.476 -5.345 8.823 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.512 -6.755 7.492 1.00 0.00 C ATOM 785 CE2 TYR A 293 2.806 -5.229 9.263 1.00 0.00 C ATOM 786 CZ TYR A 293 3.832 -5.936 8.599 1.00 0.00 C ATOM 787 OH TYR A 293 5.120 -5.827 9.032 1.00 0.00 O ATOM 0 H TYR A 293 -0.814 -9.071 6.665 1.00 0.00 H new ATOM 0 HA TYR A 293 -1.059 -7.290 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 293 -0.307 -6.374 6.181 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.793 -5.314 7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 293 1.937 -7.489 6.212 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.693 -4.809 9.339 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.292 -7.299 6.980 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.043 -4.600 10.108 1.00 0.00 H new ATOM 0 HH TYR A 293 5.156 -5.222 9.802 1.00 0.00 H new ATOM 797 N ASN A 294 -3.279 -8.502 7.530 1.00 0.00 N ATOM 798 CA ASN A 294 -4.694 -8.631 7.143 1.00 0.00 C ATOM 799 C ASN A 294 -5.704 -8.378 8.288 1.00 0.00 C ATOM 800 O ASN A 294 -6.856 -8.816 8.216 1.00 0.00 O ATOM 801 CB ASN A 294 -4.934 -9.972 6.429 1.00 0.00 C ATOM 802 CG ASN A 294 -4.977 -11.189 7.357 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.583 -11.147 8.517 1.00 0.00 O ATOM 804 ND2 ASN A 294 -5.471 -12.313 6.868 1.00 0.00 N ATOM 0 H ASN A 294 -2.852 -9.393 7.785 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.893 -7.821 6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.876 -9.914 5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -4.146 -10.122 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -5.524 -13.145 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.799 -12.349 5.903 1.00 0.00 H new ATOM 811 N ARG A 295 -5.271 -7.703 9.361 1.00 0.00 N ATOM 812 CA ARG A 295 -6.074 -7.389 10.549 1.00 0.00 C ATOM 813 C ARG A 295 -5.776 -5.992 11.086 1.00 0.00 C ATOM 814 O ARG A 295 -4.620 -5.597 11.226 1.00 0.00 O ATOM 815 CB ARG A 295 -5.778 -8.408 11.659 1.00 0.00 C ATOM 816 CG ARG A 295 -6.709 -9.623 11.630 1.00 0.00 C ATOM 817 CD ARG A 295 -6.266 -10.605 12.718 1.00 0.00 C ATOM 818 NE ARG A 295 -7.213 -11.723 12.864 1.00 0.00 N ATOM 819 CZ ARG A 295 -7.131 -12.707 13.754 1.00 0.00 C ATOM 820 NH1 ARG A 295 -6.147 -12.778 14.629 1.00 0.00 N ATOM 821 NH2 ARG A 295 -8.051 -13.645 13.778 1.00 0.00 N ATOM 0 H ARG A 295 -4.317 -7.348 9.427 1.00 0.00 H new ATOM 0 HA ARG A 295 -7.122 -7.432 10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.746 -8.747 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.865 -7.915 12.627 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.740 -9.313 11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.675 -10.102 10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -5.278 -10.995 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -6.176 -10.078 13.668 1.00 0.00 H new ATOM 0 HE ARG A 295 -8.006 -11.744 12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.419 -12.064 14.636 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -6.114 -13.547 15.298 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.825 -13.617 13.115 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.991 -14.401 14.460 1.00 0.00 H new ATOM 835 N CYS A 296 -6.833 -5.307 11.512 1.00 0.00 N ATOM 836 CA CYS A 296 -6.805 -4.001 12.167 1.00 0.00 C ATOM 837 C CYS A 296 -6.068 -3.958 13.523 1.00 0.00 C ATOM 838 O CYS A 296 -5.703 -2.884 14.006 1.00 0.00 O ATOM 839 CB CYS A 296 -8.269 -3.601 12.348 1.00 0.00 C ATOM 840 SG CYS A 296 -8.871 -2.800 10.841 1.00 0.00 S ATOM 0 H CYS A 296 -7.782 -5.666 11.405 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.236 -3.313 11.542 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.872 -4.481 12.570 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.369 -2.924 13.196 1.00 0.00 H new ATOM 845 N ASP A 297 -5.826 -5.123 14.124 1.00 0.00 N ATOM 846 CA ASP A 297 -5.130 -5.280 15.401 1.00 0.00 C ATOM 847 C ASP A 297 -3.617 -5.476 15.189 1.00 0.00 C ATOM 848 O ASP A 297 -2.853 -5.604 16.145 1.00 0.00 O ATOM 849 CB ASP A 297 -5.802 -6.441 16.145 1.00 0.00 C ATOM 850 CG ASP A 297 -5.339 -6.577 17.607 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.542 -5.621 18.393 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.818 -7.657 17.975 1.00 0.00 O ATOM 0 H ASP A 297 -6.119 -6.013 13.722 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.209 -4.380 16.010 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.883 -6.299 16.125 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.593 -7.371 15.617 1.00 0.00 H new ATOM 857 N ILE A 298 -3.177 -5.466 13.923 1.00 0.00 N ATOM 858 CA ILE A 298 -1.774 -5.557 13.522 1.00 0.00 C ATOM 859 C ILE A 298 -1.249 -4.144 13.233 1.00 0.00 C ATOM 860 O ILE A 298 -1.894 -3.405 12.476 1.00 0.00 O ATOM 861 CB ILE A 298 -1.581 -6.489 12.304 1.00 0.00 C ATOM 862 CG1 ILE A 298 -2.197 -7.868 12.614 1.00 0.00 C ATOM 863 CG2 ILE A 298 -0.086 -6.620 11.984 1.00 0.00 C ATOM 864 CD1 ILE A 298 -2.034 -8.914 11.504 1.00 0.00 C ATOM 0 H ILE A 298 -3.811 -5.392 13.128 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.201 -5.998 14.338 1.00 0.00 H new ATOM 0 HB ILE A 298 -2.083 -6.068 11.433 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.744 -8.255 13.527 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.260 -7.737 12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.046 -7.278 11.125 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.325 -5.637 11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.435 -7.039 12.845 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.499 -9.850 11.815 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.513 -8.556 10.593 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.974 -9.081 11.314 1.00 0.00 H new ATOM 876 N PRO A 299 -0.082 -3.774 13.790 1.00 0.00 N ATOM 877 CA PRO A 299 0.543 -2.474 13.582 1.00 0.00 C ATOM 878 C PRO A 299 0.956 -2.264 12.124 1.00 0.00 C ATOM 879 O PRO A 299 1.046 -3.211 11.345 1.00 0.00 O ATOM 880 CB PRO A 299 1.751 -2.466 14.522 1.00 0.00 C ATOM 881 CG PRO A 299 2.123 -3.937 14.680 1.00 0.00 C ATOM 882 CD PRO A 299 0.768 -4.631 14.605 1.00 0.00 C ATOM 0 HA PRO A 299 -0.145 -1.656 13.796 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.576 -1.891 14.102 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.503 -2.014 15.482 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.795 -4.273 13.890 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.625 -4.129 15.628 1.00 0.00 H new ATOM 0 HD2 PRO A 299 0.862 -5.622 14.161 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.344 -4.767 15.600 1.00 0.00 H new ATOM 890 N GLU A 300 1.200 -1.010 11.743 1.00 0.00 N ATOM 891 CA GLU A 300 1.635 -0.660 10.397 1.00 0.00 C ATOM 892 C GLU A 300 3.103 -1.073 10.136 1.00 0.00 C ATOM 893 O GLU A 300 3.956 -1.020 11.028 1.00 0.00 O ATOM 894 CB GLU A 300 1.369 0.839 10.175 1.00 0.00 C ATOM 895 CG GLU A 300 0.664 1.122 8.852 1.00 0.00 C ATOM 896 CD GLU A 300 1.482 0.697 7.631 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.394 -0.501 7.266 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.204 1.553 7.072 1.00 0.00 O ATOM 0 H GLU A 300 1.100 -0.207 12.364 1.00 0.00 H new ATOM 0 HA GLU A 300 1.060 -1.223 9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.761 1.221 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.315 1.379 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 300 -0.293 0.601 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.448 2.188 8.783 1.00 0.00 H new ATOM 905 N GLU A 301 3.390 -1.506 8.907 1.00 0.00 N ATOM 906 CA GLU A 301 4.694 -1.981 8.433 1.00 0.00 C ATOM 907 C GLU A 301 5.725 -0.838 8.339 1.00 0.00 C ATOM 908 O GLU A 301 5.381 0.312 8.044 1.00 0.00 O ATOM 909 CB GLU A 301 4.491 -2.666 7.066 1.00 0.00 C ATOM 910 CG GLU A 301 5.762 -3.314 6.500 1.00 0.00 C ATOM 911 CD GLU A 301 5.491 -4.147 5.236 1.00 0.00 C ATOM 912 OE1 GLU A 301 4.938 -3.604 4.250 1.00 0.00 O ATOM 913 OE2 GLU A 301 5.876 -5.340 5.204 1.00 0.00 O ATOM 0 H GLU A 301 2.681 -1.537 8.175 1.00 0.00 H new ATOM 0 HA GLU A 301 5.099 -2.695 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.719 -3.429 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 301 4.122 -1.929 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 301 6.489 -2.536 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 301 6.210 -3.952 7.262 1.00 0.00 H new ATOM 920 N THR A 302 7.009 -1.164 8.554 1.00 0.00 N ATOM 921 CA THR A 302 8.138 -0.246 8.325 1.00 0.00 C ATOM 922 C THR A 302 8.243 0.087 6.840 1.00 0.00 C ATOM 923 O THR A 302 8.375 -0.811 6.006 1.00 0.00 O ATOM 924 CB THR A 302 9.455 -0.857 8.820 1.00 0.00 C ATOM 925 OG1 THR A 302 9.321 -1.154 10.195 1.00 0.00 O ATOM 926 CG2 THR A 302 10.631 0.114 8.649 1.00 0.00 C ATOM 0 H THR A 302 7.297 -2.081 8.895 1.00 0.00 H new ATOM 0 HA THR A 302 7.955 0.669 8.889 1.00 0.00 H new ATOM 0 HB THR A 302 9.659 -1.752 8.232 1.00 0.00 H new ATOM 0 HG1 THR A 302 10.155 -1.548 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 302 11.546 -0.355 9.011 1.00 0.00 H new ATOM 0 HG22 THR A 302 10.745 0.365 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 302 10.439 1.022 9.220 1.00 0.00 H new ATOM 934 N TRP A 303 8.248 1.380 6.514 1.00 0.00 N ATOM 935 CA TRP A 303 8.399 1.889 5.148 1.00 0.00 C ATOM 936 C TRP A 303 9.289 3.145 5.111 1.00 0.00 C ATOM 937 O TRP A 303 9.375 3.900 6.085 1.00 0.00 O ATOM 938 CB TRP A 303 7.012 2.123 4.515 1.00 0.00 C ATOM 939 CG TRP A 303 6.278 3.350 4.968 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.625 3.487 6.143 1.00 0.00 C ATOM 941 CD2 TRP A 303 6.125 4.632 4.280 1.00 0.00 C ATOM 942 NE1 TRP A 303 5.105 4.763 6.245 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.401 5.521 5.132 1.00 0.00 C ATOM 944 CE3 TRP A 303 6.531 5.139 3.024 1.00 0.00 C ATOM 945 CZ2 TRP A 303 5.128 6.850 4.774 1.00 0.00 C ATOM 946 CZ3 TRP A 303 6.270 6.473 2.658 1.00 0.00 C ATOM 947 CH2 TRP A 303 5.581 7.331 3.535 1.00 0.00 C ATOM 0 H TRP A 303 8.145 2.121 7.208 1.00 0.00 H new ATOM 0 HA TRP A 303 8.912 1.139 4.546 1.00 0.00 H new ATOM 0 HB2 TRP A 303 7.133 2.176 3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 303 6.389 1.254 4.724 1.00 0.00 H new ATOM 0 HD1 TRP A 303 5.525 2.714 6.891 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.569 5.102 7.044 1.00 0.00 H new ATOM 0 HE3 TRP A 303 7.051 4.491 2.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.577 7.494 5.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 6.601 6.840 1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 303 5.401 8.358 3.255 1.00 0.00 H new ATOM 958 N THR A 304 9.970 3.344 3.976 1.00 0.00 N ATOM 959 CA THR A 304 11.006 4.372 3.763 1.00 0.00 C ATOM 960 C THR A 304 11.000 4.846 2.301 1.00 0.00 C ATOM 961 O THR A 304 12.012 4.866 1.604 1.00 0.00 O ATOM 962 CB THR A 304 12.352 3.873 4.331 1.00 0.00 C ATOM 963 OG1 THR A 304 13.322 4.899 4.286 1.00 0.00 O ATOM 964 CG2 THR A 304 12.913 2.618 3.651 1.00 0.00 C ATOM 0 H THR A 304 9.811 2.773 3.146 1.00 0.00 H new ATOM 0 HA THR A 304 10.794 5.282 4.324 1.00 0.00 H new ATOM 0 HB THR A 304 12.132 3.591 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 304 14.168 4.566 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 304 13.859 2.344 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 304 12.204 1.798 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 304 13.075 2.820 2.592 1.00 0.00 H new ATOM 972 N GLY A 305 9.798 5.188 1.822 1.00 0.00 N ATOM 973 CA GLY A 305 9.523 5.666 0.460 1.00 0.00 C ATOM 974 C GLY A 305 9.782 7.168 0.300 1.00 0.00 C ATOM 975 O GLY A 305 10.750 7.705 0.846 1.00 0.00 O ATOM 0 H GLY A 305 8.956 5.138 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 305 10.145 5.116 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 305 8.485 5.451 0.206 1.00 0.00 H new ATOM 979 N LEU A 306 8.919 7.844 -0.465 1.00 0.00 N ATOM 980 CA LEU A 306 8.992 9.287 -0.729 1.00 0.00 C ATOM 981 C LEU A 306 7.588 9.868 -0.976 1.00 0.00 C ATOM 982 O LEU A 306 6.698 9.170 -1.472 1.00 0.00 O ATOM 983 CB LEU A 306 9.959 9.525 -1.911 1.00 0.00 C ATOM 984 CG LEU A 306 10.389 10.991 -2.133 1.00 0.00 C ATOM 985 CD1 LEU A 306 11.158 11.565 -0.931 1.00 0.00 C ATOM 986 CD2 LEU A 306 11.277 11.075 -3.384 1.00 0.00 C ATOM 0 H LEU A 306 8.131 7.393 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 306 9.384 9.813 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 306 10.853 8.922 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 306 9.486 9.161 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 306 9.482 11.583 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 306 11.438 12.598 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 306 10.525 11.531 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 306 12.057 10.973 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 306 11.583 12.109 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 306 12.161 10.452 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 306 10.718 10.723 -4.251 1.00 0.00 H new ATOM 998 N GLU A 307 7.397 11.146 -0.629 1.00 0.00 N ATOM 999 CA GLU A 307 6.109 11.870 -0.670 1.00 0.00 C ATOM 1000 C GLU A 307 6.121 13.066 -1.642 1.00 0.00 C ATOM 1001 O GLU A 307 5.166 13.189 -2.443 1.00 0.00 O ATOM 1002 CB GLU A 307 5.697 12.339 0.740 1.00 0.00 C ATOM 1003 CG GLU A 307 5.674 11.249 1.829 1.00 0.00 C ATOM 1004 CD GLU A 307 7.028 11.122 2.572 1.00 0.00 C ATOM 1005 OE1 GLU A 307 7.365 12.020 3.386 1.00 0.00 O ATOM 1006 OE2 GLU A 307 7.753 10.114 2.383 1.00 0.00 O ATOM 1007 OXT GLU A 307 7.078 13.875 -1.604 1.00 0.00 O ATOM 0 H GLU A 307 8.163 11.733 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 307 5.372 11.159 -1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.382 13.126 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.705 12.785 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.888 11.476 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.422 10.291 1.374 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.432 5.061 1.366 1.00 0.00 N ATOM 1016 CA ALA B 1 -11.100 4.407 1.406 1.00 0.00 C ATOM 1017 C ALA B 1 -10.100 5.227 0.585 1.00 0.00 C ATOM 1018 O ALA B 1 -10.235 5.291 -0.639 1.00 0.00 O ATOM 1019 CB ALA B 1 -11.170 2.951 0.894 1.00 0.00 C ATOM 0 H1 ALA B 1 -13.173 4.335 1.294 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.573 5.615 2.235 1.00 0.00 H new ATOM 0 H3 ALA B 1 -12.484 5.692 0.541 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.764 4.368 2.442 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.178 2.502 0.937 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.855 2.378 1.519 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.527 2.944 -0.136 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.112 5.876 1.224 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.059 6.598 0.488 1.00 0.00 C ATOM 1029 C ARG B 2 -7.087 5.631 -0.192 1.00 0.00 C ATOM 1030 O ARG B 2 -6.813 4.534 0.306 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.268 7.581 1.366 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.101 8.802 1.773 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.240 9.825 2.525 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.053 10.938 3.047 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.654 11.856 3.921 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.429 11.874 4.408 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.493 12.786 4.323 1.00 0.00 N ATOM 0 H ARG B 2 -9.020 5.916 2.239 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.585 7.181 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.922 7.066 2.262 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.381 7.913 0.826 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.532 9.266 0.886 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.932 8.487 2.404 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.725 9.332 3.349 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.472 10.216 1.858 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.011 11.010 2.705 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.753 11.168 4.115 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.157 12.594 5.078 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.448 12.801 3.964 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.189 13.492 4.994 1.00 0.00 H new ATOM 1051 N THR B 3 -6.539 6.097 -1.310 1.00 0.00 N ATOM 1052 CA THR B 3 -5.587 5.402 -2.183 1.00 0.00 C ATOM 1053 C THR B 3 -4.477 6.357 -2.585 1.00 0.00 C ATOM 1054 O THR B 3 -4.694 7.558 -2.759 1.00 0.00 O ATOM 1055 CB THR B 3 -6.284 4.847 -3.435 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.180 5.802 -3.967 1.00 0.00 O ATOM 1057 CG2 THR B 3 -7.057 3.570 -3.110 1.00 0.00 C ATOM 0 H THR B 3 -6.760 7.031 -1.657 1.00 0.00 H new ATOM 0 HA THR B 3 -5.165 4.560 -1.633 1.00 0.00 H new ATOM 0 HB THR B 3 -5.510 4.621 -4.169 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.615 5.434 -4.765 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.541 3.198 -4.013 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.369 2.815 -2.730 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.814 3.785 -2.355 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.278 5.798 -2.738 1.00 0.00 N HETATM 1066 CA M3L B 4 -2.078 6.485 -3.236 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.337 7.187 -2.070 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.525 6.215 -1.198 1.00 0.00 C HETATM 1069 CD M3L B 4 0.262 6.898 -0.075 1.00 0.00 C HETATM 1070 CE M3L B 4 1.339 5.908 0.428 1.00 0.00 C HETATM 1071 NZ M3L B 4 2.082 6.322 1.631 1.00 0.00 N HETATM 1072 C M3L B 4 -1.154 5.539 -4.010 1.00 0.00 C HETATM 1073 O M3L B 4 -1.333 4.320 -4.008 1.00 0.00 O HETATM 1074 CM1 M3L B 4 1.203 6.462 2.788 1.00 0.00 C HETATM 1075 CM2 M3L B 4 2.794 7.580 1.420 1.00 0.00 C HETATM 1076 CM3 M3L B 4 3.058 5.280 1.943 1.00 0.00 C HETATM 0 HM33 M3L B 4 2.539 4.339 2.127 1.00 0.00 H new HETATM 0 HM32 M3L B 4 3.742 5.159 1.103 1.00 0.00 H new HETATM 0 HM31 M3L B 4 3.622 5.564 2.832 1.00 0.00 H new HETATM 0 HM23 M3L B 4 3.504 7.463 0.602 1.00 0.00 H new HETATM 0 HM22 M3L B 4 2.080 8.365 1.171 1.00 0.00 H new HETATM 0 HM21 M3L B 4 3.330 7.852 2.330 1.00 0.00 H new HETATM 0 HM13 M3L B 4 0.443 7.215 2.579 1.00 0.00 H new HETATM 0 HM12 M3L B 4 0.720 5.507 2.996 1.00 0.00 H new HETATM 0 HM11 M3L B 4 1.789 6.768 3.655 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.203 5.483 -0.760 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.170 5.666 -1.833 1.00 0.00 H new HETATM 0 HE3 M3L B 4 0.858 4.951 0.633 1.00 0.00 H new HETATM 0 HE2 M3L B 4 2.054 5.739 -0.377 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.727 7.814 -0.439 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.405 7.181 0.739 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.668 7.946 -2.477 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -2.064 7.705 -1.445 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.398 7.249 -3.945 1.00 0.00 H new ATOM 1096 N GLN B 5 -0.114 6.125 -4.591 1.00 0.00 N ATOM 1097 CA GLN B 5 1.018 5.417 -5.180 1.00 0.00 C ATOM 1098 C GLN B 5 2.327 6.114 -4.779 1.00 0.00 C ATOM 1099 O GLN B 5 2.341 7.331 -4.562 1.00 0.00 O ATOM 1100 CB GLN B 5 0.878 5.330 -6.712 1.00 0.00 C ATOM 1101 CG GLN B 5 -0.269 4.405 -7.143 1.00 0.00 C ATOM 1102 CD GLN B 5 -0.370 4.269 -8.664 1.00 0.00 C ATOM 1103 OE1 GLN B 5 -1.041 5.040 -9.337 1.00 0.00 O ATOM 1104 NE2 GLN B 5 0.279 3.295 -9.271 1.00 0.00 N ATOM 0 H GLN B 5 -0.032 7.139 -4.668 1.00 0.00 H new ATOM 0 HA GLN B 5 1.035 4.396 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN B 5 0.708 6.328 -7.116 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.813 4.968 -7.140 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -0.122 3.419 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -1.210 4.792 -6.752 1.00 0.00 H new ATOM 0 HE21 GLN B 5 0.844 2.642 -8.727 1.00 0.00 H new ATOM 0 HE22 GLN B 5 0.217 3.194 -10.284 1.00 0.00 H new ATOM 1113 N THR B 6 3.423 5.348 -4.700 1.00 0.00 N ATOM 1114 CA THR B 6 4.783 5.857 -4.452 1.00 0.00 C ATOM 1115 C THR B 6 5.747 5.370 -5.533 1.00 0.00 C ATOM 1116 O THR B 6 5.473 4.416 -6.264 1.00 0.00 O ATOM 1117 CB THR B 6 5.256 5.551 -3.026 1.00 0.00 C ATOM 1118 OG1 THR B 6 6.433 6.279 -2.747 1.00 0.00 O ATOM 1119 CG2 THR B 6 5.553 4.071 -2.794 1.00 0.00 C ATOM 0 H THR B 6 3.391 4.334 -4.809 1.00 0.00 H new ATOM 0 HA THR B 6 4.763 6.945 -4.520 1.00 0.00 H new ATOM 0 HB THR B 6 4.438 5.840 -2.366 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.199 7.125 -2.311 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.883 3.923 -1.766 1.00 0.00 H new ATOM 0 HG22 THR B 6 4.651 3.486 -2.973 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.338 3.746 -3.477 1.00 0.00 H new ATOM 1127 N ALA B 7 6.889 6.043 -5.631 1.00 0.00 N ATOM 1128 CA ALA B 7 7.862 5.912 -6.720 1.00 0.00 C ATOM 1129 C ALA B 7 8.924 4.808 -6.514 1.00 0.00 C ATOM 1130 O ALA B 7 9.917 4.782 -7.244 1.00 0.00 O ATOM 1131 CB ALA B 7 8.489 7.299 -6.935 1.00 0.00 C ATOM 0 H ALA B 7 7.177 6.723 -4.928 1.00 0.00 H new ATOM 0 HA ALA B 7 7.338 5.575 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA B 7 9.222 7.246 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA B 7 7.710 8.013 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA B 7 8.981 7.622 -6.017 1.00 0.00 H new ATOM 1137 N ARG B 8 8.771 3.933 -5.506 1.00 0.00 N ATOM 1138 CA ARG B 8 9.734 2.862 -5.161 1.00 0.00 C ATOM 1139 C ARG B 8 11.166 3.411 -4.958 1.00 0.00 C ATOM 1140 O ARG B 8 12.155 2.808 -5.375 1.00 0.00 O ATOM 1141 CB ARG B 8 9.645 1.705 -6.190 1.00 0.00 C ATOM 1142 CG ARG B 8 8.460 0.758 -5.954 1.00 0.00 C ATOM 1143 CD ARG B 8 8.600 -0.135 -4.708 1.00 0.00 C ATOM 1144 NE ARG B 8 9.805 -0.987 -4.746 1.00 0.00 N ATOM 1145 CZ ARG B 8 9.949 -2.149 -5.378 1.00 0.00 C ATOM 1146 NH1 ARG B 8 8.980 -2.689 -6.089 1.00 0.00 N ATOM 1147 NH2 ARG B 8 11.091 -2.794 -5.297 1.00 0.00 N ATOM 0 H ARG B 8 7.957 3.947 -4.891 1.00 0.00 H new ATOM 0 HA ARG B 8 9.458 2.442 -4.194 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.567 2.127 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG B 8 10.570 1.130 -6.157 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.550 1.350 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG B 8 8.339 0.122 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.633 0.494 -3.818 1.00 0.00 H new ATOM 0 HD3 ARG B 8 7.717 -0.767 -4.619 1.00 0.00 H new ATOM 0 HE ARG B 8 10.617 -0.647 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG B 8 8.081 -2.214 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG B 8 9.129 -3.582 -6.559 1.00 0.00 H new ATOM 0 HH21 ARG B 8 11.860 -2.403 -4.752 1.00 0.00 H new ATOM 0 HH22 ARG B 8 11.209 -3.685 -5.779 1.00 0.00 H new ATOM 1161 N LYS B 9 11.262 4.595 -4.335 1.00 0.00 N ATOM 1162 CA LYS B 9 12.506 5.319 -3.987 1.00 0.00 C ATOM 1163 C LYS B 9 13.310 5.849 -5.205 1.00 0.00 C ATOM 1164 O LYS B 9 14.478 6.222 -5.051 1.00 0.00 O ATOM 1165 CB LYS B 9 13.380 4.484 -3.017 1.00 0.00 C ATOM 1166 CG LYS B 9 12.642 4.047 -1.740 1.00 0.00 C ATOM 1167 CD LYS B 9 13.474 3.149 -0.807 1.00 0.00 C ATOM 1168 CE LYS B 9 14.583 3.878 -0.028 1.00 0.00 C ATOM 1169 NZ LYS B 9 15.845 4.030 -0.801 1.00 0.00 N ATOM 0 H LYS B 9 10.430 5.107 -4.042 1.00 0.00 H new ATOM 0 HA LYS B 9 12.188 6.223 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.741 3.598 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS B 9 14.257 5.068 -2.737 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.333 4.936 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.733 3.515 -2.023 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.803 2.670 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.928 2.355 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.223 4.865 0.264 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.792 3.330 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.657 3.969 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.910 3.273 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.851 4.954 -1.278 1.00 0.00 H new ATOM 1183 N SER B 10 12.709 5.891 -6.406 1.00 0.00 N ATOM 1184 CA SER B 10 13.305 6.448 -7.641 1.00 0.00 C ATOM 1185 C SER B 10 13.657 7.940 -7.505 1.00 0.00 C ATOM 1186 O SER B 10 12.782 8.731 -7.080 1.00 0.00 O ATOM 1187 CB SER B 10 12.349 6.215 -8.813 1.00 0.00 C ATOM 1188 OG SER B 10 12.995 6.519 -10.038 1.00 0.00 O ATOM 1189 OXT SER B 10 14.819 8.310 -7.792 1.00 0.00 O ATOM 0 H SER B 10 11.767 5.529 -6.553 1.00 0.00 H new ATOM 0 HA SER B 10 14.245 5.929 -7.826 1.00 0.00 H new ATOM 0 HB2 SER B 10 12.013 5.178 -8.818 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.461 6.837 -8.697 1.00 0.00 H new ATOM 0 HG SER B 10 12.375 6.365 -10.782 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.525 -1.377 9.778 1.00 0.00 ZN