USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 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= 0.452 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.19 K(o=1.6,f=1) USER MOD Set 2.1: A 271 CYS SG : rot 180:sc= 0.00584 USER MOD Set 2.2: A 273 ASN : amide:sc= 0 X(o=0.0058,f=0.018) 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= 0.00425 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= -0.504 X(o=-0.5,f=-0.57) USER MOD Single : A 253 CYS SG : rot 96:sc= 0.915 USER MOD Single : A 258 GLN : amide:sc= 0.74 K(o=0.74,f=-0.59) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0452 K(o=0.045,f=-1.1) USER MOD Single : A 266 LYS NZ :NH3+ 129:sc= 1.43 (180deg=0.0125) USER MOD Single : A 277 SER OG : rot -79:sc= 0.165 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.3) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.1) USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 304 THR OG1 : rot 36:sc= 0.0478 USER MOD Single : B 1 ALA N :NH3+ -112:sc= 1.16 (180deg=-0.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot 170:sc= 0.0118 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 -19.916 4.856 -19.948 1.00 0.00 N ATOM 2 CA GLY A 239 -18.749 4.982 -20.848 1.00 0.00 C ATOM 3 C GLY A 239 -17.831 6.114 -20.414 1.00 0.00 C ATOM 4 O GLY A 239 -18.291 7.120 -19.869 1.00 0.00 O ATOM 0 HA2 GLY A 239 -18.193 4.045 -20.858 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -19.092 5.160 -21.867 1.00 0.00 H new ATOM 10 N SER A 240 -16.530 5.977 -20.669 1.00 0.00 N ATOM 11 CA SER A 240 -15.474 6.913 -20.231 1.00 0.00 C ATOM 12 C SER A 240 -14.287 6.931 -21.217 1.00 0.00 C ATOM 13 O SER A 240 -14.116 6.014 -22.025 1.00 0.00 O ATOM 14 CB SER A 240 -14.962 6.534 -18.824 1.00 0.00 C ATOM 15 OG SER A 240 -15.991 6.476 -17.840 1.00 0.00 O ATOM 0 H SER A 240 -16.162 5.189 -21.202 1.00 0.00 H new ATOM 0 HA SER A 240 -15.917 7.908 -20.203 1.00 0.00 H new ATOM 0 HB2 SER A 240 -14.465 5.565 -18.876 1.00 0.00 H new ATOM 0 HB3 SER A 240 -14.212 7.261 -18.511 1.00 0.00 H new ATOM 0 HG SER A 240 -15.603 6.230 -16.975 1.00 0.00 H new ATOM 21 N SER A 241 -13.442 7.963 -21.153 1.00 0.00 N ATOM 22 CA SER A 241 -12.317 8.200 -22.077 1.00 0.00 C ATOM 23 C SER A 241 -11.268 9.164 -21.476 1.00 0.00 C ATOM 24 O SER A 241 -11.465 9.709 -20.383 1.00 0.00 O ATOM 25 CB SER A 241 -12.849 8.724 -23.428 1.00 0.00 C ATOM 26 OG SER A 241 -13.533 9.968 -23.293 1.00 0.00 O ATOM 0 H SER A 241 -13.520 8.683 -20.435 1.00 0.00 H new ATOM 0 HA SER A 241 -11.809 7.250 -22.243 1.00 0.00 H new ATOM 0 HB2 SER A 241 -12.017 8.842 -24.122 1.00 0.00 H new ATOM 0 HB3 SER A 241 -13.524 7.986 -23.862 1.00 0.00 H new ATOM 0 HG SER A 241 -13.851 10.263 -24.172 1.00 0.00 H new ATOM 32 N GLY A 242 -10.138 9.368 -22.172 1.00 0.00 N ATOM 33 CA GLY A 242 -9.055 10.267 -21.738 1.00 0.00 C ATOM 34 C GLY A 242 -8.030 9.590 -20.824 1.00 0.00 C ATOM 35 O GLY A 242 -7.611 10.172 -19.825 1.00 0.00 O ATOM 0 H GLY A 242 -9.948 8.908 -23.062 1.00 0.00 H new ATOM 0 HA2 GLY A 242 -8.544 10.658 -22.618 1.00 0.00 H new ATOM 0 HA3 GLY A 242 -9.489 11.120 -21.216 1.00 0.00 H new ATOM 39 N SER A 243 -7.633 8.357 -21.145 1.00 0.00 N ATOM 40 CA SER A 243 -6.607 7.593 -20.419 1.00 0.00 C ATOM 41 C SER A 243 -5.202 8.234 -20.512 1.00 0.00 C ATOM 42 O SER A 243 -4.814 8.791 -21.544 1.00 0.00 O ATOM 43 CB SER A 243 -6.589 6.139 -20.925 1.00 0.00 C ATOM 44 OG SER A 243 -6.540 6.058 -22.348 1.00 0.00 O ATOM 0 H SER A 243 -8.024 7.846 -21.937 1.00 0.00 H new ATOM 0 HA SER A 243 -6.873 7.606 -19.362 1.00 0.00 H new ATOM 0 HB2 SER A 243 -5.726 5.622 -20.505 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.478 5.621 -20.565 1.00 0.00 H new ATOM 0 HG SER A 243 -6.528 5.117 -22.622 1.00 0.00 H new ATOM 50 N SER A 244 -4.423 8.175 -19.424 1.00 0.00 N ATOM 51 CA SER A 244 -3.122 8.867 -19.319 1.00 0.00 C ATOM 52 C SER A 244 -1.920 8.003 -19.765 1.00 0.00 C ATOM 53 O SER A 244 -0.908 8.534 -20.235 1.00 0.00 O ATOM 54 CB SER A 244 -2.940 9.353 -17.871 1.00 0.00 C ATOM 55 OG SER A 244 -1.898 10.313 -17.758 1.00 0.00 O ATOM 0 H SER A 244 -4.673 7.647 -18.588 1.00 0.00 H new ATOM 0 HA SER A 244 -3.140 9.711 -20.009 1.00 0.00 H new ATOM 0 HB2 SER A 244 -3.874 9.788 -17.515 1.00 0.00 H new ATOM 0 HB3 SER A 244 -2.719 8.501 -17.228 1.00 0.00 H new ATOM 0 HG SER A 244 -1.815 10.598 -16.824 1.00 0.00 H new ATOM 61 N GLY A 245 -2.030 6.670 -19.664 1.00 0.00 N ATOM 62 CA GLY A 245 -0.967 5.718 -20.023 1.00 0.00 C ATOM 63 C GLY A 245 0.184 5.689 -19.009 1.00 0.00 C ATOM 64 O GLY A 245 -0.007 5.971 -17.822 1.00 0.00 O ATOM 0 H GLY A 245 -2.877 6.214 -19.324 1.00 0.00 H new ATOM 0 HA2 GLY A 245 -1.395 4.719 -20.106 1.00 0.00 H new ATOM 0 HA3 GLY A 245 -0.572 5.978 -21.005 1.00 0.00 H new ATOM 68 N GLU A 246 1.378 5.322 -19.476 1.00 0.00 N ATOM 69 CA GLU A 246 2.611 5.304 -18.676 1.00 0.00 C ATOM 70 C GLU A 246 3.195 6.722 -18.526 1.00 0.00 C ATOM 71 O GLU A 246 3.184 7.521 -19.467 1.00 0.00 O ATOM 72 CB GLU A 246 3.651 4.367 -19.313 1.00 0.00 C ATOM 73 CG GLU A 246 3.219 2.896 -19.277 1.00 0.00 C ATOM 74 CD GLU A 246 4.286 1.994 -19.914 1.00 0.00 C ATOM 75 OE1 GLU A 246 4.235 1.768 -21.148 1.00 0.00 O ATOM 76 OE2 GLU A 246 5.180 1.498 -19.189 1.00 0.00 O ATOM 0 H GLU A 246 1.522 5.022 -20.440 1.00 0.00 H new ATOM 0 HA GLU A 246 2.361 4.931 -17.683 1.00 0.00 H new ATOM 0 HB2 GLU A 246 3.820 4.667 -20.347 1.00 0.00 H new ATOM 0 HB3 GLU A 246 4.601 4.476 -18.790 1.00 0.00 H new ATOM 0 HG2 GLU A 246 3.047 2.589 -18.245 1.00 0.00 H new ATOM 0 HG3 GLU A 246 2.274 2.778 -19.807 1.00 0.00 H new ATOM 83 N ILE A 247 3.722 7.033 -17.339 1.00 0.00 N ATOM 84 CA ILE A 247 4.306 8.345 -16.997 1.00 0.00 C ATOM 85 C ILE A 247 5.822 8.345 -17.266 1.00 0.00 C ATOM 86 O ILE A 247 6.508 7.348 -17.034 1.00 0.00 O ATOM 87 CB ILE A 247 3.979 8.706 -15.525 1.00 0.00 C ATOM 88 CG1 ILE A 247 2.473 8.590 -15.174 1.00 0.00 C ATOM 89 CG2 ILE A 247 4.485 10.117 -15.168 1.00 0.00 C ATOM 90 CD1 ILE A 247 1.525 9.444 -16.030 1.00 0.00 C ATOM 0 H ILE A 247 3.758 6.368 -16.566 1.00 0.00 H new ATOM 0 HA ILE A 247 3.864 9.112 -17.632 1.00 0.00 H new ATOM 0 HB ILE A 247 4.506 7.964 -14.925 1.00 0.00 H new ATOM 0 HG12 ILE A 247 2.176 7.545 -15.267 1.00 0.00 H new ATOM 0 HG13 ILE A 247 2.339 8.868 -14.128 1.00 0.00 H new ATOM 0 HG21 ILE A 247 4.240 10.339 -14.129 1.00 0.00 H new ATOM 0 HG22 ILE A 247 5.566 10.161 -15.303 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.008 10.850 -15.818 1.00 0.00 H new ATOM 0 HD11 ILE A 247 0.498 9.288 -15.701 1.00 0.00 H new ATOM 0 HD12 ILE A 247 1.785 10.497 -15.921 1.00 0.00 H new ATOM 0 HD13 ILE A 247 1.619 9.154 -17.076 1.00 0.00 H new ATOM 102 N SER A 248 6.359 9.458 -17.763 1.00 0.00 N ATOM 103 CA SER A 248 7.792 9.626 -18.060 1.00 0.00 C ATOM 104 C SER A 248 8.688 9.561 -16.804 1.00 0.00 C ATOM 105 O SER A 248 8.310 10.029 -15.724 1.00 0.00 O ATOM 106 CB SER A 248 8.023 10.967 -18.777 1.00 0.00 C ATOM 107 OG SER A 248 7.222 11.073 -19.951 1.00 0.00 O ATOM 0 H SER A 248 5.805 10.287 -17.977 1.00 0.00 H new ATOM 0 HA SER A 248 8.075 8.791 -18.701 1.00 0.00 H new ATOM 0 HB2 SER A 248 7.789 11.789 -18.100 1.00 0.00 H new ATOM 0 HB3 SER A 248 9.076 11.063 -19.043 1.00 0.00 H new ATOM 0 HG SER A 248 7.389 11.936 -20.384 1.00 0.00 H new ATOM 113 N GLY A 249 9.904 9.013 -16.949 1.00 0.00 N ATOM 114 CA GLY A 249 10.883 8.864 -15.863 1.00 0.00 C ATOM 115 C GLY A 249 10.832 7.466 -15.247 1.00 0.00 C ATOM 116 O GLY A 249 11.453 6.537 -15.770 1.00 0.00 O ATOM 0 H GLY A 249 10.240 8.654 -17.843 1.00 0.00 H new ATOM 0 HA2 GLY A 249 11.885 9.057 -16.247 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.688 9.609 -15.092 1.00 0.00 H new ATOM 120 N PHE A 250 10.122 7.323 -14.123 1.00 0.00 N ATOM 121 CA PHE A 250 9.987 6.063 -13.383 1.00 0.00 C ATOM 122 C PHE A 250 9.259 4.976 -14.200 1.00 0.00 C ATOM 123 O PHE A 250 8.268 5.245 -14.881 1.00 0.00 O ATOM 124 CB PHE A 250 9.304 6.328 -12.027 1.00 0.00 C ATOM 125 CG PHE A 250 7.949 7.017 -12.087 1.00 0.00 C ATOM 126 CD1 PHE A 250 6.771 6.260 -12.252 1.00 0.00 C ATOM 127 CD2 PHE A 250 7.860 8.418 -11.958 1.00 0.00 C ATOM 128 CE1 PHE A 250 5.518 6.899 -12.294 1.00 0.00 C ATOM 129 CE2 PHE A 250 6.607 9.056 -11.995 1.00 0.00 C ATOM 130 CZ PHE A 250 5.435 8.296 -12.159 1.00 0.00 C ATOM 0 H PHE A 250 9.614 8.096 -13.693 1.00 0.00 H new ATOM 0 HA PHE A 250 10.985 5.668 -13.196 1.00 0.00 H new ATOM 0 HB2 PHE A 250 9.183 5.375 -11.511 1.00 0.00 H new ATOM 0 HB3 PHE A 250 9.973 6.937 -11.419 1.00 0.00 H new ATOM 0 HD1 PHE A 250 6.831 5.186 -12.346 1.00 0.00 H new ATOM 0 HD2 PHE A 250 8.758 9.004 -11.830 1.00 0.00 H new ATOM 0 HE1 PHE A 250 4.619 6.316 -12.430 1.00 0.00 H new ATOM 0 HE2 PHE A 250 6.545 10.130 -11.897 1.00 0.00 H new ATOM 0 HZ PHE A 250 4.472 8.785 -12.181 1.00 0.00 H new ATOM 140 N GLY A 251 9.749 3.732 -14.118 1.00 0.00 N ATOM 141 CA GLY A 251 9.209 2.581 -14.864 1.00 0.00 C ATOM 142 C GLY A 251 8.003 1.902 -14.202 1.00 0.00 C ATOM 143 O GLY A 251 7.316 1.118 -14.855 1.00 0.00 O ATOM 0 H GLY A 251 10.542 3.491 -13.524 1.00 0.00 H new ATOM 0 HA2 GLY A 251 8.920 2.914 -15.861 1.00 0.00 H new ATOM 0 HA3 GLY A 251 10.001 1.843 -14.991 1.00 0.00 H new ATOM 147 N GLN A 252 7.742 2.193 -12.924 1.00 0.00 N ATOM 148 CA GLN A 252 6.683 1.611 -12.099 1.00 0.00 C ATOM 149 C GLN A 252 6.460 2.429 -10.814 1.00 0.00 C ATOM 150 O GLN A 252 7.313 3.229 -10.421 1.00 0.00 O ATOM 151 CB GLN A 252 6.974 0.127 -11.801 1.00 0.00 C ATOM 152 CG GLN A 252 8.374 -0.215 -11.258 1.00 0.00 C ATOM 153 CD GLN A 252 8.699 0.371 -9.882 1.00 0.00 C ATOM 154 OE1 GLN A 252 7.946 0.258 -8.923 1.00 0.00 O ATOM 155 NE2 GLN A 252 9.847 0.999 -9.718 1.00 0.00 N ATOM 0 H GLN A 252 8.295 2.879 -12.411 1.00 0.00 H new ATOM 0 HA GLN A 252 5.751 1.652 -12.663 1.00 0.00 H new ATOM 0 HB2 GLN A 252 6.236 -0.225 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN A 252 6.819 -0.440 -12.719 1.00 0.00 H new ATOM 0 HG2 GLN A 252 8.471 -1.299 -11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 252 9.119 0.138 -11.971 1.00 0.00 H new ATOM 0 HE21 GLN A 252 10.488 1.104 -10.504 1.00 0.00 H new ATOM 0 HE22 GLN A 252 10.094 1.380 -8.805 1.00 0.00 H new ATOM 164 N CYS A 253 5.326 2.182 -10.150 1.00 0.00 N ATOM 165 CA CYS A 253 4.965 2.710 -8.830 1.00 0.00 C ATOM 166 C CYS A 253 4.354 1.607 -7.947 1.00 0.00 C ATOM 167 O CYS A 253 3.879 0.575 -8.433 1.00 0.00 O ATOM 168 CB CYS A 253 3.994 3.895 -8.992 1.00 0.00 C ATOM 169 SG CYS A 253 4.918 5.449 -9.151 1.00 0.00 S ATOM 0 H CYS A 253 4.600 1.579 -10.537 1.00 0.00 H new ATOM 0 HA CYS A 253 5.867 3.065 -8.332 1.00 0.00 H new ATOM 0 HB2 CYS A 253 3.369 3.744 -9.872 1.00 0.00 H new ATOM 0 HB3 CYS A 253 3.326 3.947 -8.132 1.00 0.00 H new ATOM 0 HG CYS A 253 5.062 5.741 -10.409 1.00 0.00 H new ATOM 175 N LEU A 254 4.351 1.854 -6.637 1.00 0.00 N ATOM 176 CA LEU A 254 3.839 0.977 -5.588 1.00 0.00 C ATOM 177 C LEU A 254 2.507 1.527 -5.071 1.00 0.00 C ATOM 178 O LEU A 254 2.415 2.714 -4.768 1.00 0.00 O ATOM 179 CB LEU A 254 4.903 0.929 -4.478 1.00 0.00 C ATOM 180 CG LEU A 254 4.517 0.091 -3.246 1.00 0.00 C ATOM 181 CD1 LEU A 254 4.289 -1.377 -3.632 1.00 0.00 C ATOM 182 CD2 LEU A 254 5.623 0.206 -2.190 1.00 0.00 C ATOM 0 H LEU A 254 4.728 2.723 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 254 3.652 -0.031 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 254 5.826 0.529 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 254 5.115 1.948 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 254 3.583 0.473 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 254 4.017 -1.949 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 254 3.484 -1.440 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.203 -1.786 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 254 5.354 -0.386 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 254 6.561 -0.164 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 254 5.741 1.250 -1.899 1.00 0.00 H new ATOM 194 N VAL A 255 1.490 0.673 -4.952 1.00 0.00 N ATOM 195 CA VAL A 255 0.137 1.056 -4.509 1.00 0.00 C ATOM 196 C VAL A 255 -0.009 0.814 -3.004 1.00 0.00 C ATOM 197 O VAL A 255 0.354 -0.252 -2.499 1.00 0.00 O ATOM 198 CB VAL A 255 -0.959 0.296 -5.293 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.372 0.788 -4.928 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.761 0.453 -6.811 1.00 0.00 C ATOM 0 H VAL A 255 1.578 -0.321 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 255 0.004 2.118 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.867 -0.754 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.111 0.228 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.547 0.635 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.459 1.849 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.545 -0.091 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.810 1.509 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.212 0.052 -7.094 1.00 0.00 H new ATOM 210 N TRP A 256 -0.581 1.800 -2.308 1.00 0.00 N ATOM 211 CA TRP A 256 -0.921 1.734 -0.886 1.00 0.00 C ATOM 212 C TRP A 256 -2.393 2.122 -0.656 1.00 0.00 C ATOM 213 O TRP A 256 -2.944 2.971 -1.362 1.00 0.00 O ATOM 214 CB TRP A 256 -0.010 2.665 -0.073 1.00 0.00 C ATOM 215 CG TRP A 256 1.454 2.388 -0.048 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.325 2.691 -1.034 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.251 1.812 1.036 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.601 2.354 -0.641 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.614 1.774 0.612 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.966 1.327 2.336 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.635 1.240 1.413 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.982 0.773 3.138 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.309 0.716 2.676 1.00 0.00 C ATOM 0 H TRP A 256 -0.828 2.694 -2.733 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.773 0.707 -0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.149 3.677 -0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.366 2.659 0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.062 3.130 -1.985 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.435 2.513 -1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.957 1.383 2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.657 1.232 1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.740 0.388 4.118 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.077 0.270 3.291 1.00 0.00 H new ATOM 234 N VAL A 257 -3.005 1.524 0.369 1.00 0.00 N ATOM 235 CA VAL A 257 -4.441 1.657 0.690 1.00 0.00 C ATOM 236 C VAL A 257 -4.654 1.969 2.166 1.00 0.00 C ATOM 237 O VAL A 257 -4.072 1.311 3.025 1.00 0.00 O ATOM 238 CB VAL A 257 -5.241 0.383 0.333 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.664 0.406 -1.134 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.478 -0.919 0.628 1.00 0.00 C ATOM 0 H VAL A 257 -2.508 0.916 1.020 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.808 2.484 0.083 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.121 0.392 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.226 -0.499 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.290 1.279 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.778 0.455 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.097 -1.773 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.555 -0.939 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.240 -0.969 1.691 1.00 0.00 H new ATOM 250 N GLN A 258 -5.488 2.973 2.447 1.00 0.00 N ATOM 251 CA GLN A 258 -5.822 3.405 3.802 1.00 0.00 C ATOM 252 C GLN A 258 -7.118 2.752 4.291 1.00 0.00 C ATOM 253 O GLN A 258 -8.147 2.798 3.609 1.00 0.00 O ATOM 254 CB GLN A 258 -5.919 4.934 3.876 1.00 0.00 C ATOM 255 CG GLN A 258 -5.971 5.441 5.329 1.00 0.00 C ATOM 256 CD GLN A 258 -5.846 6.963 5.430 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.427 7.724 4.666 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.091 7.471 6.382 1.00 0.00 N ATOM 0 H GLN A 258 -5.958 3.517 1.724 1.00 0.00 H new ATOM 0 HA GLN A 258 -5.018 3.081 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.062 5.376 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.811 5.267 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.910 5.127 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.168 4.976 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.600 6.853 7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.998 8.483 6.474 1.00 0.00 H new ATOM 267 N CYS A 259 -7.054 2.184 5.498 1.00 0.00 N ATOM 268 CA CYS A 259 -8.158 1.546 6.209 1.00 0.00 C ATOM 269 C CYS A 259 -9.398 2.463 6.351 1.00 0.00 C ATOM 270 O CYS A 259 -9.284 3.663 6.621 1.00 0.00 O ATOM 271 CB CYS A 259 -7.601 1.126 7.574 1.00 0.00 C ATOM 272 SG CYS A 259 -8.739 -0.025 8.387 1.00 0.00 S ATOM 0 H CYS A 259 -6.185 2.157 6.031 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.521 0.687 5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.626 0.656 7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.453 2.005 8.201 1.00 0.00 H new ATOM 277 N SER A 260 -10.593 1.895 6.182 1.00 0.00 N ATOM 278 CA SER A 260 -11.880 2.596 6.305 1.00 0.00 C ATOM 279 C SER A 260 -12.194 3.080 7.731 1.00 0.00 C ATOM 280 O SER A 260 -12.956 4.038 7.897 1.00 0.00 O ATOM 281 CB SER A 260 -13.028 1.706 5.798 1.00 0.00 C ATOM 282 OG SER A 260 -13.082 0.452 6.469 1.00 0.00 O ATOM 0 H SER A 260 -10.699 0.908 5.949 1.00 0.00 H new ATOM 0 HA SER A 260 -11.789 3.488 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.975 2.228 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.907 1.537 4.728 1.00 0.00 H new ATOM 0 HG SER A 260 -13.827 -0.077 6.114 1.00 0.00 H new ATOM 288 N PHE A 261 -11.613 2.455 8.764 1.00 0.00 N ATOM 289 CA PHE A 261 -11.833 2.836 10.156 1.00 0.00 C ATOM 290 C PHE A 261 -10.983 4.054 10.566 1.00 0.00 C ATOM 291 O PHE A 261 -9.779 4.086 10.287 1.00 0.00 O ATOM 292 CB PHE A 261 -11.556 1.646 11.075 1.00 0.00 C ATOM 293 CG PHE A 261 -12.529 0.497 10.925 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.837 0.611 11.433 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.123 -0.691 10.290 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.735 -0.464 11.303 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.016 -1.767 10.171 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.325 -1.654 10.674 1.00 0.00 C ATOM 0 H PHE A 261 -10.975 1.667 8.651 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.878 3.130 10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.548 1.280 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.576 1.990 12.109 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.150 1.522 11.921 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.122 -0.775 9.893 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.741 -0.376 11.687 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.698 -2.682 9.693 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.014 -2.480 10.577 1.00 0.00 H new ATOM 308 N PRO A 262 -11.581 5.029 11.278 1.00 0.00 N ATOM 309 CA PRO A 262 -10.915 6.254 11.711 1.00 0.00 C ATOM 310 C PRO A 262 -9.902 6.006 12.836 1.00 0.00 C ATOM 311 O PRO A 262 -8.870 6.672 12.896 1.00 0.00 O ATOM 312 CB PRO A 262 -12.057 7.158 12.183 1.00 0.00 C ATOM 313 CG PRO A 262 -13.128 6.188 12.682 1.00 0.00 C ATOM 314 CD PRO A 262 -12.967 5.012 11.729 1.00 0.00 C ATOM 0 HA PRO A 262 -10.329 6.697 10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.730 7.831 12.976 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.432 7.781 11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.962 5.897 13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.127 6.622 12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.200 4.072 12.230 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.650 5.101 10.885 1.00 0.00 H new ATOM 322 N ASN A 263 -10.166 5.014 13.692 1.00 0.00 N ATOM 323 CA ASN A 263 -9.255 4.545 14.746 1.00 0.00 C ATOM 324 C ASN A 263 -8.086 3.682 14.215 1.00 0.00 C ATOM 325 O ASN A 263 -7.188 3.322 14.980 1.00 0.00 O ATOM 326 CB ASN A 263 -10.069 3.802 15.815 1.00 0.00 C ATOM 327 CG ASN A 263 -10.755 2.553 15.268 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.798 2.630 14.631 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.189 1.378 15.482 1.00 0.00 N ATOM 0 H ASN A 263 -11.046 4.498 13.672 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.778 5.420 15.187 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.411 3.520 16.637 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.822 4.475 16.226 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.621 0.530 15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.320 1.320 16.013 1.00 0.00 H new ATOM 336 N CYS A 264 -8.089 3.372 12.911 1.00 0.00 N ATOM 337 CA CYS A 264 -6.990 2.746 12.179 1.00 0.00 C ATOM 338 C CYS A 264 -6.241 3.837 11.396 1.00 0.00 C ATOM 339 O CYS A 264 -5.192 4.314 11.838 1.00 0.00 O ATOM 340 CB CYS A 264 -7.557 1.640 11.275 1.00 0.00 C ATOM 341 SG CYS A 264 -6.568 0.125 11.314 1.00 0.00 S ATOM 0 H CYS A 264 -8.895 3.561 12.316 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.275 2.274 12.852 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.576 1.411 11.585 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.611 2.007 10.250 1.00 0.00 H new ATOM 346 N GLY A 265 -6.779 4.220 10.227 1.00 0.00 N ATOM 347 CA GLY A 265 -6.150 5.137 9.283 1.00 0.00 C ATOM 348 C GLY A 265 -4.819 4.620 8.728 1.00 0.00 C ATOM 349 O GLY A 265 -4.054 5.398 8.162 1.00 0.00 O ATOM 0 H GLY A 265 -7.690 3.887 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.834 5.320 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.982 6.095 9.775 1.00 0.00 H new ATOM 353 N LYS A 266 -4.534 3.325 8.901 1.00 0.00 N ATOM 354 CA LYS A 266 -3.269 2.691 8.526 1.00 0.00 C ATOM 355 C LYS A 266 -3.151 2.497 7.016 1.00 0.00 C ATOM 356 O LYS A 266 -4.137 2.149 6.360 1.00 0.00 O ATOM 357 CB LYS A 266 -3.149 1.330 9.216 1.00 0.00 C ATOM 358 CG LYS A 266 -3.023 1.438 10.730 1.00 0.00 C ATOM 359 CD LYS A 266 -2.886 0.018 11.273 1.00 0.00 C ATOM 360 CE LYS A 266 -2.875 0.001 12.792 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.202 0.358 13.363 1.00 0.00 N ATOM 0 H LYS A 266 -5.197 2.672 9.318 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.465 3.353 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.024 0.727 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.279 0.804 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.156 2.039 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.898 1.930 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.711 -0.594 10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.966 -0.429 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.585 -0.990 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.123 0.701 13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.485 -0.361 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.141 1.286 13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.908 0.399 12.601 1.00 0.00 H new ATOM 375 N TRP A 267 -1.942 2.639 6.477 1.00 0.00 N ATOM 376 CA TRP A 267 -1.633 2.353 5.081 1.00 0.00 C ATOM 377 C TRP A 267 -0.997 0.966 4.967 1.00 0.00 C ATOM 378 O TRP A 267 0.082 0.721 5.509 1.00 0.00 O ATOM 379 CB TRP A 267 -0.735 3.455 4.510 1.00 0.00 C ATOM 380 CG TRP A 267 -1.379 4.802 4.417 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.401 5.730 5.398 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.122 5.385 3.304 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.059 6.861 4.954 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.523 6.705 3.665 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.507 4.922 2.029 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.241 7.536 2.790 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.249 5.736 1.153 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.600 7.047 1.521 1.00 0.00 C ATOM 0 H TRP A 267 -1.135 2.963 7.010 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.549 2.343 4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.157 3.536 5.131 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.404 3.156 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.970 5.607 6.380 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.186 7.706 5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.228 3.926 1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.514 8.538 3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.551 5.351 0.190 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.143 7.676 0.832 1.00 0.00 H new ATOM 399 N ARG A 268 -1.673 0.063 4.249 1.00 0.00 N ATOM 400 CA ARG A 268 -1.148 -1.256 3.886 1.00 0.00 C ATOM 401 C ARG A 268 -0.687 -1.258 2.425 1.00 0.00 C ATOM 402 O ARG A 268 -1.205 -0.497 1.596 1.00 0.00 O ATOM 403 CB ARG A 268 -2.185 -2.365 4.131 1.00 0.00 C ATOM 404 CG ARG A 268 -2.891 -2.338 5.496 1.00 0.00 C ATOM 405 CD ARG A 268 -1.970 -2.367 6.712 1.00 0.00 C ATOM 406 NE ARG A 268 -2.781 -2.546 7.923 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.348 -2.740 9.155 1.00 0.00 C ATOM 408 NH1 ARG A 268 -1.087 -2.622 9.496 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.213 -3.045 10.082 1.00 0.00 N ATOM 0 H ARG A 268 -2.616 0.232 3.898 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.291 -1.464 4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.944 -2.304 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.689 -3.329 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.507 -1.440 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.567 -3.191 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.249 -3.179 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.400 -1.440 6.774 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.793 -2.517 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.391 -2.370 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.803 -2.782 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.202 -3.129 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.900 -3.199 11.041 1.00 0.00 H new ATOM 423 N ARG A 269 0.297 -2.112 2.140 1.00 0.00 N ATOM 424 CA ARG A 269 0.995 -2.232 0.858 1.00 0.00 C ATOM 425 C ARG A 269 0.375 -3.348 0.001 1.00 0.00 C ATOM 426 O ARG A 269 0.093 -4.429 0.521 1.00 0.00 O ATOM 427 CB ARG A 269 2.471 -2.546 1.159 1.00 0.00 C ATOM 428 CG ARG A 269 3.407 -2.113 0.023 1.00 0.00 C ATOM 429 CD ARG A 269 4.497 -3.153 -0.264 1.00 0.00 C ATOM 430 NE ARG A 269 3.986 -4.216 -1.149 1.00 0.00 N ATOM 431 CZ ARG A 269 4.533 -5.401 -1.379 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.621 -5.815 -0.761 1.00 0.00 N ATOM 433 NH2 ARG A 269 3.971 -6.187 -2.269 1.00 0.00 N ATOM 0 H ARG A 269 0.647 -2.773 2.833 1.00 0.00 H new ATOM 0 HA ARG A 269 0.908 -1.303 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.766 -2.043 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.584 -3.617 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.823 -1.944 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.874 -1.163 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.355 -2.668 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.845 -3.589 0.672 1.00 0.00 H new ATOM 0 HE ARG A 269 3.114 -4.017 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.077 -5.215 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.007 -6.736 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 269 3.134 -5.880 -2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.372 -7.104 -2.465 1.00 0.00 H new ATOM 447 N LEU A 270 0.190 -3.107 -1.302 1.00 0.00 N ATOM 448 CA LEU A 270 -0.411 -4.060 -2.252 1.00 0.00 C ATOM 449 C LEU A 270 0.615 -4.602 -3.265 1.00 0.00 C ATOM 450 O LEU A 270 1.815 -4.337 -3.162 1.00 0.00 O ATOM 451 CB LEU A 270 -1.622 -3.386 -2.938 1.00 0.00 C ATOM 452 CG LEU A 270 -2.751 -2.951 -1.984 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.895 -2.372 -2.822 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.303 -4.099 -1.123 1.00 0.00 C ATOM 0 H LEU A 270 0.459 -2.225 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.760 -4.936 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.270 -2.511 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.034 -4.076 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.329 -2.215 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.705 -2.058 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.533 -1.513 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.262 -3.132 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.094 -3.720 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.705 -4.878 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.501 -4.513 -0.512 1.00 0.00 H new ATOM 466 N CYS A 271 0.137 -5.388 -4.233 1.00 0.00 N ATOM 467 CA CYS A 271 0.905 -5.919 -5.363 1.00 0.00 C ATOM 468 C CYS A 271 0.868 -4.956 -6.567 1.00 0.00 C ATOM 469 O CYS A 271 -0.161 -4.331 -6.835 1.00 0.00 O ATOM 470 CB CYS A 271 0.313 -7.296 -5.710 1.00 0.00 C ATOM 471 SG CYS A 271 1.361 -8.134 -6.934 1.00 0.00 S ATOM 0 H CYS A 271 -0.839 -5.685 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 271 1.957 -6.022 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 271 0.235 -7.905 -4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 271 -0.697 -7.178 -6.104 1.00 0.00 H new ATOM 0 HG CYS A 271 0.853 -9.296 -7.217 1.00 0.00 H new ATOM 477 N GLY A 272 1.960 -4.883 -7.341 1.00 0.00 N ATOM 478 CA GLY A 272 2.073 -4.033 -8.541 1.00 0.00 C ATOM 479 C GLY A 272 1.151 -4.437 -9.701 1.00 0.00 C ATOM 480 O GLY A 272 0.972 -3.658 -10.637 1.00 0.00 O ATOM 0 H GLY A 272 2.805 -5.421 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.853 -3.002 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 272 3.105 -4.056 -8.890 1.00 0.00 H new ATOM 484 N ASN A 273 0.531 -5.620 -9.628 1.00 0.00 N ATOM 485 CA ASN A 273 -0.497 -6.095 -10.565 1.00 0.00 C ATOM 486 C ASN A 273 -1.918 -5.568 -10.240 1.00 0.00 C ATOM 487 O ASN A 273 -2.864 -5.856 -10.978 1.00 0.00 O ATOM 488 CB ASN A 273 -0.472 -7.635 -10.592 1.00 0.00 C ATOM 489 CG ASN A 273 0.805 -8.187 -11.224 1.00 0.00 C ATOM 490 OD1 ASN A 273 1.859 -8.256 -10.601 1.00 0.00 O ATOM 491 ND2 ASN A 273 0.750 -8.603 -12.478 1.00 0.00 N ATOM 0 H ASN A 273 0.736 -6.296 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.258 -5.695 -11.550 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -0.564 -8.015 -9.574 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -1.336 -8.000 -11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 273 1.584 -8.981 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 273 -0.127 -8.546 -12.996 1.00 0.00 H new ATOM 498 N ILE A 274 -2.091 -4.807 -9.152 1.00 0.00 N ATOM 499 CA ILE A 274 -3.376 -4.242 -8.687 1.00 0.00 C ATOM 500 C ILE A 274 -3.400 -2.728 -8.958 1.00 0.00 C ATOM 501 O ILE A 274 -2.360 -2.072 -8.922 1.00 0.00 O ATOM 502 CB ILE A 274 -3.592 -4.585 -7.188 1.00 0.00 C ATOM 503 CG1 ILE A 274 -3.547 -6.119 -6.981 1.00 0.00 C ATOM 504 CG2 ILE A 274 -4.924 -4.011 -6.661 1.00 0.00 C ATOM 505 CD1 ILE A 274 -3.665 -6.584 -5.528 1.00 0.00 C ATOM 0 H ILE A 274 -1.312 -4.555 -8.543 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.206 -4.685 -9.238 1.00 0.00 H new ATOM 0 HB ILE A 274 -2.785 -4.123 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.354 -6.571 -7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -2.611 -6.498 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -5.041 -4.271 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -4.921 -2.926 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -5.752 -4.430 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -3.623 -7.673 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -2.843 -6.168 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -4.613 -6.243 -5.113 1.00 0.00 H new ATOM 517 N ASP A 275 -4.584 -2.170 -9.223 1.00 0.00 N ATOM 518 CA ASP A 275 -4.798 -0.742 -9.490 1.00 0.00 C ATOM 519 C ASP A 275 -5.868 -0.165 -8.542 1.00 0.00 C ATOM 520 O ASP A 275 -6.919 -0.793 -8.361 1.00 0.00 O ATOM 521 CB ASP A 275 -5.216 -0.561 -10.957 1.00 0.00 C ATOM 522 CG ASP A 275 -5.105 0.897 -11.433 1.00 0.00 C ATOM 523 OD1 ASP A 275 -5.839 1.759 -10.900 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.271 1.173 -12.328 1.00 0.00 O ATOM 0 H ASP A 275 -5.446 -2.714 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 275 -3.870 -0.199 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -4.592 -1.193 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.244 -0.902 -11.082 1.00 0.00 H new ATOM 529 N PRO A 276 -5.654 1.028 -7.953 1.00 0.00 N ATOM 530 CA PRO A 276 -6.625 1.647 -7.058 1.00 0.00 C ATOM 531 C PRO A 276 -7.959 2.013 -7.731 1.00 0.00 C ATOM 532 O PRO A 276 -8.931 2.264 -7.020 1.00 0.00 O ATOM 533 CB PRO A 276 -5.906 2.849 -6.440 1.00 0.00 C ATOM 534 CG PRO A 276 -4.832 3.203 -7.462 1.00 0.00 C ATOM 535 CD PRO A 276 -4.455 1.849 -8.053 1.00 0.00 C ATOM 0 HA PRO A 276 -6.942 0.939 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.590 3.682 -6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.470 2.599 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.210 3.884 -8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.977 3.691 -6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.135 1.950 -9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.626 1.400 -7.506 1.00 0.00 H new ATOM 543 N SER A 277 -8.072 1.971 -9.066 1.00 0.00 N ATOM 544 CA SER A 277 -9.353 2.120 -9.770 1.00 0.00 C ATOM 545 C SER A 277 -10.300 0.907 -9.626 1.00 0.00 C ATOM 546 O SER A 277 -11.500 1.048 -9.881 1.00 0.00 O ATOM 547 CB SER A 277 -9.100 2.415 -11.257 1.00 0.00 C ATOM 548 OG SER A 277 -8.649 1.266 -11.965 1.00 0.00 O ATOM 0 H SER A 277 -7.276 1.833 -9.689 1.00 0.00 H new ATOM 0 HA SER A 277 -9.864 2.957 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 277 -10.019 2.783 -11.714 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.359 3.209 -11.347 1.00 0.00 H new ATOM 0 HG SER A 277 -7.696 1.125 -11.786 1.00 0.00 H new ATOM 554 N VAL A 278 -9.796 -0.259 -9.186 1.00 0.00 N ATOM 555 CA VAL A 278 -10.579 -1.509 -9.017 1.00 0.00 C ATOM 556 C VAL A 278 -10.683 -1.963 -7.547 1.00 0.00 C ATOM 557 O VAL A 278 -10.908 -3.143 -7.273 1.00 0.00 O ATOM 558 CB VAL A 278 -10.104 -2.650 -9.955 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.258 -2.260 -11.435 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.661 -3.112 -9.697 1.00 0.00 C ATOM 0 H VAL A 278 -8.814 -0.368 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.594 -1.260 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.756 -3.492 -9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.916 -3.081 -12.065 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.306 -2.050 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.661 -1.372 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.405 -3.911 -10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -7.979 -2.274 -9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.574 -3.480 -8.675 1.00 0.00 H new ATOM 570 N LEU A 279 -10.535 -1.032 -6.593 1.00 0.00 N ATOM 571 CA LEU A 279 -10.635 -1.295 -5.148 1.00 0.00 C ATOM 572 C LEU A 279 -11.871 -0.623 -4.505 1.00 0.00 C ATOM 573 O LEU A 279 -12.341 0.405 -5.008 1.00 0.00 O ATOM 574 CB LEU A 279 -9.321 -0.878 -4.456 1.00 0.00 C ATOM 575 CG LEU A 279 -8.122 -1.773 -4.830 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.840 -1.194 -4.232 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.300 -3.204 -4.290 1.00 0.00 C ATOM 0 H LEU A 279 -10.338 -0.055 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.781 -2.366 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.091 0.154 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.463 -0.906 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.062 -1.806 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -5.995 -1.829 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.677 -0.190 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.932 -1.149 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.438 -3.809 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.384 -3.175 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.204 -3.643 -4.713 1.00 0.00 H new ATOM 589 N PRO A 280 -12.407 -1.208 -3.412 1.00 0.00 N ATOM 590 CA PRO A 280 -13.658 -0.796 -2.781 1.00 0.00 C ATOM 591 C PRO A 280 -13.494 0.474 -1.940 1.00 0.00 C ATOM 592 O PRO A 280 -12.424 0.759 -1.406 1.00 0.00 O ATOM 593 CB PRO A 280 -14.090 -1.990 -1.920 1.00 0.00 C ATOM 594 CG PRO A 280 -12.782 -2.697 -1.572 1.00 0.00 C ATOM 595 CD PRO A 280 -11.894 -2.411 -2.771 1.00 0.00 C ATOM 0 HA PRO A 280 -14.410 -0.541 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.617 -1.664 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.766 -2.649 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.349 -2.309 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.930 -3.767 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.860 -2.269 -2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -11.904 -3.251 -3.466 1.00 0.00 H new ATOM 603 N ASP A 281 -14.588 1.223 -1.783 1.00 0.00 N ATOM 604 CA ASP A 281 -14.657 2.440 -0.962 1.00 0.00 C ATOM 605 C ASP A 281 -14.794 2.162 0.547 1.00 0.00 C ATOM 606 O ASP A 281 -14.625 3.065 1.365 1.00 0.00 O ATOM 607 CB ASP A 281 -15.796 3.326 -1.477 1.00 0.00 C ATOM 608 CG ASP A 281 -17.199 2.744 -1.224 1.00 0.00 C ATOM 609 OD1 ASP A 281 -17.528 1.687 -1.816 1.00 0.00 O ATOM 610 OD2 ASP A 281 -17.975 3.361 -0.456 1.00 0.00 O ATOM 0 H ASP A 281 -15.474 0.996 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.705 2.961 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -15.727 4.304 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -15.666 3.483 -2.548 1.00 0.00 H new ATOM 615 N ASN A 282 -15.029 0.901 0.911 1.00 0.00 N ATOM 616 CA ASN A 282 -15.029 0.382 2.281 1.00 0.00 C ATOM 617 C ASN A 282 -13.851 -0.589 2.511 1.00 0.00 C ATOM 618 O ASN A 282 -13.928 -1.473 3.368 1.00 0.00 O ATOM 619 CB ASN A 282 -16.400 -0.255 2.573 1.00 0.00 C ATOM 620 CG ASN A 282 -17.532 0.768 2.540 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.577 1.702 3.334 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.488 0.617 1.639 1.00 0.00 N ATOM 0 H ASN A 282 -15.235 0.176 0.224 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.878 1.198 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.598 -1.037 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.375 -0.734 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.264 1.278 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.449 -0.160 0.979 1.00 0.00 H new ATOM 629 N TRP A 283 -12.763 -0.449 1.736 1.00 0.00 N ATOM 630 CA TRP A 283 -11.511 -1.184 1.962 1.00 0.00 C ATOM 631 C TRP A 283 -10.990 -1.004 3.404 1.00 0.00 C ATOM 632 O TRP A 283 -10.954 0.107 3.926 1.00 0.00 O ATOM 633 CB TRP A 283 -10.438 -0.753 0.950 1.00 0.00 C ATOM 634 CG TRP A 283 -9.243 -1.648 0.962 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.041 -2.705 0.143 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.129 -1.645 1.904 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.908 -3.386 0.542 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.325 -2.793 1.642 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.746 -0.819 2.987 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.219 -3.116 2.436 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.640 -1.137 3.790 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.892 -2.291 3.520 1.00 0.00 C ATOM 0 H TRP A 283 -12.729 0.179 0.933 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.728 -2.243 1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.870 -0.744 -0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.125 0.267 1.171 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.669 -2.975 -0.694 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.548 -4.222 0.081 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.316 0.073 3.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.625 -3.991 2.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.366 -0.494 4.614 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.056 -2.547 4.154 1.00 0.00 H new ATOM 653 N SER A 284 -10.541 -2.088 4.031 1.00 0.00 N ATOM 654 CA SER A 284 -10.000 -2.130 5.397 1.00 0.00 C ATOM 655 C SER A 284 -8.828 -3.118 5.480 1.00 0.00 C ATOM 656 O SER A 284 -8.612 -3.892 4.544 1.00 0.00 O ATOM 657 CB SER A 284 -11.103 -2.541 6.386 1.00 0.00 C ATOM 658 OG SER A 284 -11.585 -3.858 6.129 1.00 0.00 O ATOM 0 H SER A 284 -10.542 -3.005 3.585 1.00 0.00 H new ATOM 0 HA SER A 284 -9.637 -1.136 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.716 -2.488 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.930 -1.833 6.322 1.00 0.00 H new ATOM 0 HG SER A 284 -12.283 -4.083 6.779 1.00 0.00 H new ATOM 664 N CYS A 285 -8.094 -3.141 6.599 1.00 0.00 N ATOM 665 CA CYS A 285 -6.978 -4.075 6.806 1.00 0.00 C ATOM 666 C CYS A 285 -7.371 -5.553 6.545 1.00 0.00 C ATOM 667 O CYS A 285 -6.555 -6.340 6.069 1.00 0.00 O ATOM 668 CB CYS A 285 -6.432 -3.946 8.237 1.00 0.00 C ATOM 669 SG CYS A 285 -5.889 -2.265 8.658 1.00 0.00 S ATOM 0 H CYS A 285 -8.256 -2.514 7.387 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.211 -3.803 6.081 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.204 -4.257 8.941 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.594 -4.631 8.360 1.00 0.00 H new ATOM 674 N ASP A 286 -8.632 -5.926 6.800 1.00 0.00 N ATOM 675 CA ASP A 286 -9.199 -7.261 6.536 1.00 0.00 C ATOM 676 C ASP A 286 -9.262 -7.626 5.035 1.00 0.00 C ATOM 677 O ASP A 286 -9.435 -8.793 4.679 1.00 0.00 O ATOM 678 CB ASP A 286 -10.594 -7.321 7.181 1.00 0.00 C ATOM 679 CG ASP A 286 -11.220 -8.726 7.144 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.708 -9.631 7.845 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.248 -8.910 6.446 1.00 0.00 O ATOM 0 H ASP A 286 -9.312 -5.286 7.210 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.535 -8.005 6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.523 -6.989 8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.255 -6.622 6.668 1.00 0.00 H new ATOM 686 N GLN A 287 -9.085 -6.642 4.150 1.00 0.00 N ATOM 687 CA GLN A 287 -9.122 -6.755 2.690 1.00 0.00 C ATOM 688 C GLN A 287 -7.711 -6.640 2.066 1.00 0.00 C ATOM 689 O GLN A 287 -7.575 -6.477 0.850 1.00 0.00 O ATOM 690 CB GLN A 287 -10.113 -5.700 2.158 1.00 0.00 C ATOM 691 CG GLN A 287 -11.562 -6.029 2.562 1.00 0.00 C ATOM 692 CD GLN A 287 -12.505 -4.843 2.390 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.986 -4.543 1.307 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.794 -4.114 3.447 1.00 0.00 N ATOM 0 H GLN A 287 -8.901 -5.686 4.453 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.471 -7.745 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.841 -4.717 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.041 -5.647 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.922 -6.864 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.580 -6.354 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.399 -4.355 4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.413 -3.309 3.357 1.00 0.00 H new ATOM 703 N ASN A 288 -6.653 -6.738 2.879 1.00 0.00 N ATOM 704 CA ASN A 288 -5.258 -6.742 2.424 1.00 0.00 C ATOM 705 C ASN A 288 -4.852 -8.049 1.719 1.00 0.00 C ATOM 706 O ASN A 288 -5.393 -9.125 2.003 1.00 0.00 O ATOM 707 CB ASN A 288 -4.329 -6.460 3.620 1.00 0.00 C ATOM 708 CG ASN A 288 -2.965 -5.946 3.172 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.865 -5.074 2.321 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.880 -6.491 3.685 1.00 0.00 N ATOM 0 H ASN A 288 -6.744 -6.818 3.892 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.158 -5.954 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.796 -5.726 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.200 -7.372 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.959 -6.185 3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.962 -7.219 4.395 1.00 0.00 H new ATOM 717 N THR A 289 -3.850 -7.961 0.834 1.00 0.00 N ATOM 718 CA THR A 289 -3.279 -9.100 0.093 1.00 0.00 C ATOM 719 C THR A 289 -2.154 -9.800 0.847 1.00 0.00 C ATOM 720 O THR A 289 -1.825 -10.941 0.523 1.00 0.00 O ATOM 721 CB THR A 289 -2.772 -8.644 -1.278 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.898 -7.547 -1.112 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.922 -8.210 -2.183 1.00 0.00 C ATOM 0 H THR A 289 -3.401 -7.074 0.606 1.00 0.00 H new ATOM 0 HA THR A 289 -4.085 -9.823 -0.028 1.00 0.00 H new ATOM 0 HB THR A 289 -2.258 -9.486 -1.741 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.571 -7.254 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.526 -7.893 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.606 -9.046 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.457 -7.381 -1.720 1.00 0.00 H new ATOM 731 N ASP A 290 -1.586 -9.150 1.864 1.00 0.00 N ATOM 732 CA ASP A 290 -0.445 -9.634 2.642 1.00 0.00 C ATOM 733 C ASP A 290 -0.874 -10.015 4.070 1.00 0.00 C ATOM 734 O ASP A 290 -1.292 -9.162 4.854 1.00 0.00 O ATOM 735 CB ASP A 290 0.671 -8.567 2.640 1.00 0.00 C ATOM 736 CG ASP A 290 2.011 -9.136 2.141 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.398 -10.236 2.598 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.663 -8.486 1.290 1.00 0.00 O ATOM 0 H ASP A 290 -1.920 -8.239 2.180 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.052 -10.540 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.373 -7.732 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.797 -8.173 3.648 1.00 0.00 H new ATOM 743 N VAL A 291 -0.748 -11.303 4.406 1.00 0.00 N ATOM 744 CA VAL A 291 -1.221 -11.902 5.678 1.00 0.00 C ATOM 745 C VAL A 291 -0.483 -11.378 6.918 1.00 0.00 C ATOM 746 O VAL A 291 -0.970 -11.501 8.040 1.00 0.00 O ATOM 747 CB VAL A 291 -1.137 -13.446 5.670 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.995 -14.029 4.537 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.312 -13.957 5.544 1.00 0.00 C ATOM 0 H VAL A 291 -0.303 -11.984 3.790 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.264 -11.593 5.745 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.523 -13.785 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.922 -15.117 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.034 -13.733 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.638 -13.652 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.315 -15.047 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.747 -13.592 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.901 -13.593 6.386 1.00 0.00 H new ATOM 759 N GLN A 292 0.686 -10.773 6.703 1.00 0.00 N ATOM 760 CA GLN A 292 1.500 -10.121 7.728 1.00 0.00 C ATOM 761 C GLN A 292 0.875 -8.822 8.256 1.00 0.00 C ATOM 762 O GLN A 292 1.245 -8.382 9.342 1.00 0.00 O ATOM 763 CB GLN A 292 2.931 -9.904 7.203 1.00 0.00 C ATOM 764 CG GLN A 292 3.035 -9.554 5.710 1.00 0.00 C ATOM 765 CD GLN A 292 4.416 -9.039 5.297 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.578 -7.917 4.833 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.465 -9.825 5.443 1.00 0.00 N ATOM 0 H GLN A 292 1.107 -10.722 5.775 1.00 0.00 H new ATOM 0 HA GLN A 292 1.542 -10.788 8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.395 -9.104 7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.510 -10.809 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.795 -10.439 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.287 -8.798 5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.350 -10.763 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.391 -9.495 5.171 1.00 0.00 H new ATOM 776 N TYR A 293 -0.095 -8.239 7.535 1.00 0.00 N ATOM 777 CA TYR A 293 -0.788 -6.994 7.912 1.00 0.00 C ATOM 778 C TYR A 293 -2.289 -7.004 7.552 1.00 0.00 C ATOM 779 O TYR A 293 -2.895 -5.957 7.320 1.00 0.00 O ATOM 780 CB TYR A 293 -0.049 -5.776 7.330 1.00 0.00 C ATOM 781 CG TYR A 293 1.370 -5.600 7.831 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.600 -4.858 9.004 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.451 -6.209 7.168 1.00 0.00 C ATOM 784 CE1 TYR A 293 2.899 -4.728 9.523 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.750 -6.113 7.697 1.00 0.00 C ATOM 786 CZ TYR A 293 3.980 -5.376 8.882 1.00 0.00 C ATOM 787 OH TYR A 293 5.232 -5.311 9.412 1.00 0.00 O ATOM 0 H TYR A 293 -0.428 -8.628 6.653 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.760 -6.919 8.999 1.00 0.00 H new ATOM 0 HB2 TYR A 293 -0.028 -5.865 6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.618 -4.876 7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.771 -4.385 9.510 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.282 -6.752 6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.071 -4.135 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.573 -6.603 7.198 1.00 0.00 H new ATOM 0 HH TYR A 293 5.854 -5.812 8.844 1.00 0.00 H new ATOM 797 N ASN A 294 -2.906 -8.190 7.511 1.00 0.00 N ATOM 798 CA ASN A 294 -4.304 -8.386 7.101 1.00 0.00 C ATOM 799 C ASN A 294 -5.342 -8.203 8.236 1.00 0.00 C ATOM 800 O ASN A 294 -6.464 -8.708 8.143 1.00 0.00 O ATOM 801 CB ASN A 294 -4.454 -9.723 6.358 1.00 0.00 C ATOM 802 CG ASN A 294 -4.458 -10.956 7.264 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.072 -10.920 8.426 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.907 -12.089 6.753 1.00 0.00 N ATOM 0 H ASN A 294 -2.439 -9.060 7.767 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.544 -7.577 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.382 -9.705 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.640 -9.818 5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.932 -12.932 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.229 -12.120 5.786 1.00 0.00 H new ATOM 811 N ARG A 295 -4.965 -7.513 9.321 1.00 0.00 N ATOM 812 CA ARG A 295 -5.800 -7.247 10.498 1.00 0.00 C ATOM 813 C ARG A 295 -5.566 -5.852 11.067 1.00 0.00 C ATOM 814 O ARG A 295 -4.426 -5.425 11.243 1.00 0.00 O ATOM 815 CB ARG A 295 -5.483 -8.270 11.597 1.00 0.00 C ATOM 816 CG ARG A 295 -6.372 -9.513 11.519 1.00 0.00 C ATOM 817 CD ARG A 295 -5.932 -10.506 12.596 1.00 0.00 C ATOM 818 NE ARG A 295 -6.844 -11.660 12.671 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.739 -12.694 13.499 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.760 -12.790 14.377 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.632 -13.658 13.456 1.00 0.00 N ATOM 0 H ARG A 295 -4.032 -7.109 9.405 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.839 -7.322 10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.438 -8.570 11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.607 -7.800 12.572 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.417 -9.239 11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.296 -9.969 10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.921 -10.853 12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.898 -10.004 13.563 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.633 -11.666 12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.053 -12.057 14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.709 -13.598 14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.402 -13.611 12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.555 -14.453 14.090 1.00 0.00 H new ATOM 835 N CYS A 296 -6.653 -5.207 11.474 1.00 0.00 N ATOM 836 CA CYS A 296 -6.684 -3.905 12.136 1.00 0.00 C ATOM 837 C CYS A 296 -5.961 -3.835 13.498 1.00 0.00 C ATOM 838 O CYS A 296 -5.640 -2.747 13.981 1.00 0.00 O ATOM 839 CB CYS A 296 -8.164 -3.557 12.305 1.00 0.00 C ATOM 840 SG CYS A 296 -8.779 -2.727 10.819 1.00 0.00 S ATOM 0 H CYS A 296 -7.586 -5.597 11.345 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.136 -3.195 11.517 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.740 -4.464 12.490 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.297 -2.912 13.173 1.00 0.00 H new ATOM 845 N ASP A 297 -5.671 -4.988 14.101 1.00 0.00 N ATOM 846 CA ASP A 297 -4.982 -5.111 15.388 1.00 0.00 C ATOM 847 C ASP A 297 -3.458 -5.227 15.197 1.00 0.00 C ATOM 848 O ASP A 297 -2.701 -5.305 16.165 1.00 0.00 O ATOM 849 CB ASP A 297 -5.601 -6.305 16.126 1.00 0.00 C ATOM 850 CG ASP A 297 -5.142 -6.421 17.591 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.400 -5.479 18.380 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.565 -7.472 17.960 1.00 0.00 O ATOM 0 H ASP A 297 -5.916 -5.891 13.695 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.117 -4.215 15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.687 -6.216 16.099 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.343 -7.223 15.598 1.00 0.00 H new ATOM 857 N ILE A 298 -3.003 -5.208 13.937 1.00 0.00 N ATOM 858 CA ILE A 298 -1.592 -5.242 13.553 1.00 0.00 C ATOM 859 C ILE A 298 -1.113 -3.806 13.285 1.00 0.00 C ATOM 860 O ILE A 298 -1.782 -3.083 12.533 1.00 0.00 O ATOM 861 CB ILE A 298 -1.357 -6.151 12.327 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.922 -7.557 12.609 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.143 -6.220 12.008 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.710 -8.577 11.485 1.00 0.00 C ATOM 0 H ILE A 298 -3.630 -5.167 13.134 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.012 -5.669 14.371 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.873 -5.736 11.461 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.462 -7.941 13.519 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.991 -7.470 12.804 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.302 -6.863 11.142 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.515 -5.219 11.790 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.679 -6.627 12.865 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.141 -9.535 11.777 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.195 -8.222 10.576 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.643 -8.701 11.302 1.00 0.00 H new ATOM 876 N PRO A 299 0.039 -3.400 13.846 1.00 0.00 N ATOM 877 CA PRO A 299 0.603 -2.065 13.685 1.00 0.00 C ATOM 878 C PRO A 299 0.970 -1.754 12.230 1.00 0.00 C ATOM 879 O PRO A 299 1.118 -2.652 11.405 1.00 0.00 O ATOM 880 CB PRO A 299 1.828 -2.040 14.602 1.00 0.00 C ATOM 881 CG PRO A 299 2.250 -3.501 14.723 1.00 0.00 C ATOM 882 CD PRO A 299 0.919 -4.238 14.649 1.00 0.00 C ATOM 0 HA PRO A 299 -0.120 -1.294 13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.627 -1.431 14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.585 -1.616 15.576 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.923 -3.797 13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.770 -3.696 15.661 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.042 -5.221 14.195 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.505 -4.396 15.645 1.00 0.00 H new ATOM 890 N GLU A 300 1.101 -0.467 11.907 1.00 0.00 N ATOM 891 CA GLU A 300 1.405 0.022 10.571 1.00 0.00 C ATOM 892 C GLU A 300 2.832 -0.366 10.125 1.00 0.00 C ATOM 893 O GLU A 300 3.793 -0.233 10.888 1.00 0.00 O ATOM 894 CB GLU A 300 1.202 1.546 10.578 1.00 0.00 C ATOM 895 CG GLU A 300 0.823 2.031 9.184 1.00 0.00 C ATOM 896 CD GLU A 300 0.773 3.559 9.050 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.636 4.272 9.616 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.141 4.047 8.349 1.00 0.00 O ATOM 0 H GLU A 300 0.995 0.282 12.591 1.00 0.00 H new ATOM 0 HA GLU A 300 0.737 -0.441 9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.420 1.813 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.116 2.041 10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.541 1.636 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.152 1.621 8.920 1.00 0.00 H new ATOM 905 N GLU A 301 2.974 -0.837 8.881 1.00 0.00 N ATOM 906 CA GLU A 301 4.268 -1.180 8.275 1.00 0.00 C ATOM 907 C GLU A 301 5.128 0.082 8.054 1.00 0.00 C ATOM 908 O GLU A 301 4.613 1.148 7.694 1.00 0.00 O ATOM 909 CB GLU A 301 4.026 -1.962 6.967 1.00 0.00 C ATOM 910 CG GLU A 301 5.263 -2.274 6.107 1.00 0.00 C ATOM 911 CD GLU A 301 6.309 -3.185 6.782 1.00 0.00 C ATOM 912 OE1 GLU A 301 6.833 -2.829 7.864 1.00 0.00 O ATOM 913 OE2 GLU A 301 6.652 -4.240 6.197 1.00 0.00 O ATOM 0 H GLU A 301 2.183 -0.993 8.257 1.00 0.00 H new ATOM 0 HA GLU A 301 4.832 -1.819 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.541 -2.905 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.322 -1.395 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 301 4.934 -2.746 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 301 5.743 -1.335 5.833 1.00 0.00 H new ATOM 920 N THR A 302 6.445 -0.047 8.264 1.00 0.00 N ATOM 921 CA THR A 302 7.435 1.026 8.084 1.00 0.00 C ATOM 922 C THR A 302 7.888 1.113 6.626 1.00 0.00 C ATOM 923 O THR A 302 7.961 0.106 5.919 1.00 0.00 O ATOM 924 CB THR A 302 8.600 0.857 9.071 1.00 0.00 C ATOM 925 OG1 THR A 302 9.352 2.052 9.077 1.00 0.00 O ATOM 926 CG2 THR A 302 9.546 -0.303 8.748 1.00 0.00 C ATOM 0 H THR A 302 6.864 -0.925 8.572 1.00 0.00 H new ATOM 0 HA THR A 302 6.968 1.984 8.315 1.00 0.00 H new ATOM 0 HB THR A 302 8.153 0.630 10.039 1.00 0.00 H new ATOM 0 HG1 THR A 302 10.101 1.964 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 302 10.337 -0.347 9.497 1.00 0.00 H new ATOM 0 HG22 THR A 302 8.989 -1.240 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 302 9.987 -0.150 7.763 1.00 0.00 H new ATOM 934 N TRP A 303 8.182 2.331 6.170 1.00 0.00 N ATOM 935 CA TRP A 303 8.418 2.656 4.754 1.00 0.00 C ATOM 936 C TRP A 303 9.448 3.786 4.538 1.00 0.00 C ATOM 937 O TRP A 303 9.531 4.357 3.446 1.00 0.00 O ATOM 938 CB TRP A 303 7.058 2.939 4.089 1.00 0.00 C ATOM 939 CG TRP A 303 6.315 4.144 4.590 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.585 4.199 5.728 1.00 0.00 C ATOM 941 CD2 TRP A 303 6.208 5.474 3.989 1.00 0.00 C ATOM 942 NE1 TRP A 303 5.064 5.467 5.891 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.423 6.299 4.852 1.00 0.00 C ATOM 944 CE3 TRP A 303 6.693 6.068 2.803 1.00 0.00 C ATOM 945 CZ2 TRP A 303 5.152 7.645 4.564 1.00 0.00 C ATOM 946 CZ3 TRP A 303 6.424 7.418 2.503 1.00 0.00 C ATOM 947 CH2 TRP A 303 5.666 8.210 3.384 1.00 0.00 C ATOM 0 H TRP A 303 8.266 3.141 6.785 1.00 0.00 H new ATOM 0 HA TRP A 303 8.883 1.797 4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 303 7.218 3.056 3.017 1.00 0.00 H new ATOM 0 HB3 TRP A 303 6.422 2.064 4.223 1.00 0.00 H new ATOM 0 HD1 TRP A 303 5.433 3.374 6.408 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.486 5.753 6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 303 7.280 5.478 2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.556 8.240 5.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 6.803 7.849 1.588 1.00 0.00 H new ATOM 0 HH2 TRP A 303 5.479 9.249 3.155 1.00 0.00 H new ATOM 958 N THR A 304 10.240 4.109 5.571 1.00 0.00 N ATOM 959 CA THR A 304 11.299 5.133 5.543 1.00 0.00 C ATOM 960 C THR A 304 12.426 4.732 4.590 1.00 0.00 C ATOM 961 O THR A 304 12.999 3.649 4.716 1.00 0.00 O ATOM 962 CB THR A 304 11.850 5.394 6.955 1.00 0.00 C ATOM 963 OG1 THR A 304 12.157 4.175 7.599 1.00 0.00 O ATOM 964 CG2 THR A 304 10.831 6.141 7.822 1.00 0.00 C ATOM 0 H THR A 304 10.160 3.651 6.479 1.00 0.00 H new ATOM 0 HA THR A 304 10.857 6.058 5.174 1.00 0.00 H new ATOM 0 HB THR A 304 12.748 6.001 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 304 12.504 3.536 6.942 1.00 0.00 H new ATOM 0 HG21 THR A 304 11.251 6.310 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 304 10.594 7.100 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 304 9.922 5.546 7.910 1.00 0.00 H new ATOM 972 N GLY A 305 12.758 5.620 3.647 1.00 0.00 N ATOM 973 CA GLY A 305 13.801 5.413 2.627 1.00 0.00 C ATOM 974 C GLY A 305 15.223 5.769 3.085 1.00 0.00 C ATOM 975 O GLY A 305 16.159 5.659 2.290 1.00 0.00 O ATOM 0 H GLY A 305 12.299 6.527 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 305 13.784 4.368 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 305 13.556 6.011 1.749 1.00 0.00 H new ATOM 979 N LEU A 306 15.384 6.185 4.346 1.00 0.00 N ATOM 980 CA LEU A 306 16.641 6.589 4.985 1.00 0.00 C ATOM 981 C LEU A 306 16.794 5.854 6.325 1.00 0.00 C ATOM 982 O LEU A 306 15.825 5.715 7.076 1.00 0.00 O ATOM 983 CB LEU A 306 16.627 8.124 5.150 1.00 0.00 C ATOM 984 CG LEU A 306 17.891 8.732 5.794 1.00 0.00 C ATOM 985 CD1 LEU A 306 19.153 8.490 4.951 1.00 0.00 C ATOM 986 CD2 LEU A 306 17.687 10.243 5.984 1.00 0.00 C ATOM 0 H LEU A 306 14.593 6.253 4.986 1.00 0.00 H new ATOM 0 HA LEU A 306 17.502 6.319 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 306 16.486 8.577 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 306 15.763 8.400 5.755 1.00 0.00 H new ATOM 0 HG LEU A 306 18.040 8.239 6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 306 20.014 8.937 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 306 19.316 7.418 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 306 19.026 8.943 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 306 18.578 10.676 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 306 17.510 10.711 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 306 16.828 10.415 6.633 1.00 0.00 H new ATOM 998 N GLU A 307 18.010 5.381 6.616 1.00 0.00 N ATOM 999 CA GLU A 307 18.342 4.481 7.741 1.00 0.00 C ATOM 1000 C GLU A 307 19.666 4.864 8.432 1.00 0.00 C ATOM 1001 O GLU A 307 19.690 4.903 9.683 1.00 0.00 O ATOM 1002 CB GLU A 307 18.409 3.021 7.247 1.00 0.00 C ATOM 1003 CG GLU A 307 17.079 2.469 6.704 1.00 0.00 C ATOM 1004 CD GLU A 307 17.218 0.984 6.299 1.00 0.00 C ATOM 1005 OE1 GLU A 307 17.591 0.693 5.134 1.00 0.00 O ATOM 1006 OE2 GLU A 307 16.950 0.087 7.138 1.00 0.00 O ATOM 1007 OXT GLU A 307 20.667 5.131 7.727 1.00 0.00 O ATOM 0 H GLU A 307 18.828 5.621 6.055 1.00 0.00 H new ATOM 0 HA GLU A 307 17.549 4.585 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 307 19.164 2.950 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 307 18.742 2.388 8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 307 16.302 2.571 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 307 16.763 3.056 5.842 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.420 4.599 2.299 1.00 0.00 N ATOM 1016 CA ALA B 1 -11.075 4.138 1.875 1.00 0.00 C ATOM 1017 C ALA B 1 -10.338 5.277 1.167 1.00 0.00 C ATOM 1018 O ALA B 1 -10.972 6.070 0.463 1.00 0.00 O ATOM 1019 CB ALA B 1 -11.159 2.895 0.963 1.00 0.00 C ATOM 0 H1 ALA B 1 -12.459 4.648 3.337 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.605 5.542 1.901 1.00 0.00 H new ATOM 0 H3 ALA B 1 -13.140 3.931 1.957 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.518 3.848 2.766 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.154 2.588 0.673 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.647 2.082 1.500 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.736 3.137 0.070 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.009 5.351 1.322 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.134 6.252 0.549 1.00 0.00 C ATOM 1029 C ARG B 2 -7.075 5.441 -0.193 1.00 0.00 C ATOM 1030 O ARG B 2 -6.703 4.347 0.244 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.465 7.300 1.457 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.164 8.622 0.728 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.660 9.704 1.694 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.750 10.233 2.535 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.618 10.956 3.643 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.439 11.281 4.132 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.691 11.376 4.278 1.00 0.00 N ATOM 0 H ARG B 2 -8.501 4.779 1.997 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.751 6.784 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.114 7.501 2.310 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.536 6.890 1.853 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.416 8.448 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.065 8.974 0.226 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.878 9.289 2.330 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.210 10.518 1.126 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.702 10.023 2.236 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.589 10.976 3.658 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.376 11.837 4.985 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.618 11.147 3.920 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.596 11.931 5.128 1.00 0.00 H new ATOM 1051 N THR B 3 -6.577 6.000 -1.291 1.00 0.00 N ATOM 1052 CA THR B 3 -5.608 5.379 -2.200 1.00 0.00 C ATOM 1053 C THR B 3 -4.535 6.380 -2.575 1.00 0.00 C ATOM 1054 O THR B 3 -4.825 7.529 -2.910 1.00 0.00 O ATOM 1055 CB THR B 3 -6.291 4.838 -3.464 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.286 5.727 -3.929 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.934 3.482 -3.184 1.00 0.00 C ATOM 0 H THR B 3 -6.846 6.938 -1.588 1.00 0.00 H new ATOM 0 HA THR B 3 -5.151 4.537 -1.681 1.00 0.00 H new ATOM 0 HB THR B 3 -5.522 4.733 -4.230 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.703 5.358 -4.736 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.414 3.113 -4.090 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.168 2.775 -2.865 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.680 3.589 -2.396 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.294 5.902 -2.545 1.00 0.00 N HETATM 1066 CA M3L B 4 -2.104 6.603 -3.050 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.368 7.322 -1.895 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.521 6.372 -1.031 1.00 0.00 C HETATM 1069 CD M3L B 4 0.227 7.085 0.101 1.00 0.00 C HETATM 1070 CE M3L B 4 1.315 6.129 0.645 1.00 0.00 C HETATM 1071 NZ M3L B 4 2.062 6.610 1.821 1.00 0.00 N HETATM 1072 C M3L B 4 -1.179 5.666 -3.835 1.00 0.00 C HETATM 1073 O M3L B 4 -1.352 4.446 -3.839 1.00 0.00 O HETATM 1074 CM1 M3L B 4 1.192 6.783 2.980 1.00 0.00 C HETATM 1075 CM2 M3L B 4 2.746 7.872 1.553 1.00 0.00 C HETATM 1076 CM3 M3L B 4 3.061 5.601 2.166 1.00 0.00 C HETATM 0 HM33 M3L B 4 2.563 4.659 2.397 1.00 0.00 H new HETATM 0 HM32 M3L B 4 3.738 5.456 1.324 1.00 0.00 H new HETATM 0 HM31 M3L B 4 3.629 5.933 3.035 1.00 0.00 H new HETATM 0 HM23 M3L B 4 3.451 7.737 0.733 1.00 0.00 H new HETATM 0 HM22 M3L B 4 2.014 8.632 1.280 1.00 0.00 H new HETATM 0 HM21 M3L B 4 3.284 8.191 2.446 1.00 0.00 H new HETATM 0 HM13 M3L B 4 0.415 7.511 2.746 1.00 0.00 H new HETATM 0 HM12 M3L B 4 0.730 5.829 3.234 1.00 0.00 H new HETATM 0 HM11 M3L B 4 1.780 7.139 3.826 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.169 5.607 -0.603 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.201 5.860 -1.667 1.00 0.00 H new HETATM 0 HE3 M3L B 4 0.843 5.180 0.901 1.00 0.00 H new HETATM 0 HE2 M3L B 4 2.026 5.926 -0.155 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.680 8.006 -0.265 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.465 7.364 0.896 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.723 8.097 -2.310 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -2.101 7.822 -1.262 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.434 7.365 -3.756 1.00 0.00 H new ATOM 1096 N GLN B 5 -0.148 6.257 -4.425 1.00 0.00 N ATOM 1097 CA GLN B 5 0.969 5.548 -5.041 1.00 0.00 C ATOM 1098 C GLN B 5 2.287 6.244 -4.683 1.00 0.00 C ATOM 1099 O GLN B 5 2.328 7.474 -4.570 1.00 0.00 O ATOM 1100 CB GLN B 5 0.794 5.462 -6.567 1.00 0.00 C ATOM 1101 CG GLN B 5 -0.424 4.628 -6.990 1.00 0.00 C ATOM 1102 CD GLN B 5 -0.444 4.350 -8.495 1.00 0.00 C ATOM 1103 OE1 GLN B 5 0.452 3.731 -9.055 1.00 0.00 O ATOM 1104 NE2 GLN B 5 -1.459 4.789 -9.214 1.00 0.00 N ATOM 0 H GLN B 5 -0.062 7.271 -4.491 1.00 0.00 H new ATOM 0 HA GLN B 5 0.991 4.529 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN B 5 0.695 6.469 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.693 5.029 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -0.420 3.682 -6.448 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -1.337 5.153 -6.708 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -2.215 5.307 -8.766 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -1.488 4.611 -10.218 1.00 0.00 H new ATOM 1113 N THR B 6 3.362 5.460 -4.521 1.00 0.00 N ATOM 1114 CA THR B 6 4.717 5.946 -4.219 1.00 0.00 C ATOM 1115 C THR B 6 5.714 5.416 -5.248 1.00 0.00 C ATOM 1116 O THR B 6 5.508 4.360 -5.849 1.00 0.00 O ATOM 1117 CB THR B 6 5.152 5.600 -2.785 1.00 0.00 C ATOM 1118 OG1 THR B 6 5.249 4.204 -2.602 1.00 0.00 O ATOM 1119 CG2 THR B 6 4.188 6.152 -1.734 1.00 0.00 C ATOM 0 H THR B 6 3.313 4.444 -4.598 1.00 0.00 H new ATOM 0 HA THR B 6 4.700 7.034 -4.284 1.00 0.00 H new ATOM 0 HB THR B 6 6.128 6.066 -2.652 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.678 4.016 -1.741 1.00 0.00 H new ATOM 0 HG21 THR B 6 4.540 5.880 -0.739 1.00 0.00 H new ATOM 0 HG22 THR B 6 4.141 7.238 -1.818 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.195 5.732 -1.895 1.00 0.00 H new ATOM 1127 N ALA B 7 6.804 6.152 -5.470 1.00 0.00 N ATOM 1128 CA ALA B 7 7.920 5.717 -6.314 1.00 0.00 C ATOM 1129 C ALA B 7 8.944 4.943 -5.464 1.00 0.00 C ATOM 1130 O ALA B 7 9.483 5.477 -4.490 1.00 0.00 O ATOM 1131 CB ALA B 7 8.528 6.949 -7.000 1.00 0.00 C ATOM 0 H ALA B 7 6.939 7.078 -5.064 1.00 0.00 H new ATOM 0 HA ALA B 7 7.578 5.035 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA B 7 9.361 6.640 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA B 7 7.769 7.436 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA B 7 8.887 7.647 -6.243 1.00 0.00 H new ATOM 1137 N ARG B 8 9.210 3.681 -5.823 1.00 0.00 N ATOM 1138 CA ARG B 8 10.115 2.800 -5.067 1.00 0.00 C ATOM 1139 C ARG B 8 11.566 3.296 -5.140 1.00 0.00 C ATOM 1140 O ARG B 8 12.068 3.606 -6.221 1.00 0.00 O ATOM 1141 CB ARG B 8 10.013 1.347 -5.566 1.00 0.00 C ATOM 1142 CG ARG B 8 8.600 0.765 -5.384 1.00 0.00 C ATOM 1143 CD ARG B 8 8.523 -0.725 -5.743 1.00 0.00 C ATOM 1144 NE ARG B 8 9.235 -1.563 -4.757 1.00 0.00 N ATOM 1145 CZ ARG B 8 10.351 -2.262 -4.944 1.00 0.00 C ATOM 1146 NH1 ARG B 8 10.983 -2.289 -6.099 1.00 0.00 N ATOM 1147 NH2 ARG B 8 10.856 -2.954 -3.946 1.00 0.00 N ATOM 0 H ARG B 8 8.804 3.239 -6.648 1.00 0.00 H new ATOM 0 HA ARG B 8 9.803 2.826 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG B 8 10.287 1.307 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG B 8 10.731 0.729 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.285 0.902 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.899 1.321 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG B 8 7.479 -1.033 -5.795 1.00 0.00 H new ATOM 0 HD3 ARG B 8 8.952 -0.883 -6.732 1.00 0.00 H new ATOM 0 HE ARG B 8 8.823 -1.611 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG B 8 10.619 -1.761 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG B 8 11.837 -2.838 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG B 8 10.392 -2.952 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG B 8 11.711 -3.493 -4.080 1.00 0.00 H new ATOM 1161 N LYS B 9 12.239 3.360 -3.982 1.00 0.00 N ATOM 1162 CA LYS B 9 13.664 3.722 -3.833 1.00 0.00 C ATOM 1163 C LYS B 9 13.994 5.163 -4.317 1.00 0.00 C ATOM 1164 O LYS B 9 15.092 5.429 -4.818 1.00 0.00 O ATOM 1165 CB LYS B 9 14.530 2.617 -4.487 1.00 0.00 C ATOM 1166 CG LYS B 9 15.973 2.495 -3.953 1.00 0.00 C ATOM 1167 CD LYS B 9 16.152 1.457 -2.830 1.00 0.00 C ATOM 1168 CE LYS B 9 15.514 1.823 -1.479 1.00 0.00 C ATOM 1169 NZ LYS B 9 16.246 2.919 -0.785 1.00 0.00 N ATOM 0 H LYS B 9 11.793 3.154 -3.088 1.00 0.00 H new ATOM 0 HA LYS B 9 13.909 3.763 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS B 9 14.029 1.659 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS B 9 14.574 2.803 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.632 2.234 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.294 3.469 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS B 9 15.731 0.509 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS B 9 17.219 1.295 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.479 2.125 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.493 0.941 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.779 3.130 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 17.227 2.623 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 16.244 3.770 -1.382 1.00 0.00 H new ATOM 1183 N SER B 10 13.031 6.090 -4.195 1.00 0.00 N ATOM 1184 CA SER B 10 13.178 7.528 -4.512 1.00 0.00 C ATOM 1185 C SER B 10 14.193 8.272 -3.623 1.00 0.00 C ATOM 1186 O SER B 10 14.517 7.797 -2.508 1.00 0.00 O ATOM 1187 CB SER B 10 11.810 8.214 -4.481 1.00 0.00 C ATOM 1188 OG SER B 10 11.213 8.074 -3.200 1.00 0.00 O ATOM 1189 OXT SER B 10 14.688 9.332 -4.069 1.00 0.00 O ATOM 0 H SER B 10 12.096 5.856 -3.862 1.00 0.00 H new ATOM 0 HA SER B 10 13.593 7.578 -5.519 1.00 0.00 H new ATOM 0 HB2 SER B 10 11.921 9.271 -4.724 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.161 7.779 -5.241 1.00 0.00 H new ATOM 0 HG SER B 10 10.340 8.519 -3.196 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.495 -1.219 9.799 1.00 0.00 ZN