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= 0.442 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.905 K(o=1.3,f=0.83) 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 -36:sc= 0.0149 USER MOD Single : A 248 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 252 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 253 CYS SG : rot -17:sc= 0.669 USER MOD Single : A 258 GLN : amide:sc= 0.66 K(o=0.66,f=-0.61) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.71) USER MOD Single : A 266 LYS NZ :NH3+ 126:sc= 1.42 (180deg=0.1) USER MOD Single : A 271 CYS SG : rot 180:sc= 0 USER MOD Single : A 273 ASN : amide:sc= 1.13 K(o=1.1,f=-3.8!) USER MOD Single : A 277 SER OG : rot -41:sc= 0.00641 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.51) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00964 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= -0.26 K(o=-0.26,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+ 142:sc= 1.11 (180deg=0.303) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 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 -17.188 -18.461 -9.374 1.00 0.00 N ATOM 2 CA GLY A 239 -17.614 -18.757 -10.761 1.00 0.00 C ATOM 3 C GLY A 239 -16.434 -19.078 -11.669 1.00 0.00 C ATOM 4 O GLY A 239 -15.276 -18.977 -11.262 1.00 0.00 O ATOM 0 HA2 GLY A 239 -18.305 -19.600 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -18.157 -17.902 -11.163 1.00 0.00 H new ATOM 10 N SER A 240 -16.710 -19.471 -12.914 1.00 0.00 N ATOM 11 CA SER A 240 -15.679 -19.876 -13.895 1.00 0.00 C ATOM 12 C SER A 240 -15.147 -18.702 -14.753 1.00 0.00 C ATOM 13 O SER A 240 -14.082 -18.797 -15.368 1.00 0.00 O ATOM 14 CB SER A 240 -16.258 -20.993 -14.782 1.00 0.00 C ATOM 15 OG SER A 240 -15.244 -21.708 -15.477 1.00 0.00 O ATOM 0 H SER A 240 -17.660 -19.520 -13.281 1.00 0.00 H new ATOM 0 HA SER A 240 -14.814 -20.239 -13.341 1.00 0.00 H new ATOM 0 HB2 SER A 240 -16.830 -21.685 -14.164 1.00 0.00 H new ATOM 0 HB3 SER A 240 -16.953 -20.560 -15.502 1.00 0.00 H new ATOM 0 HG SER A 240 -15.655 -22.408 -16.026 1.00 0.00 H new ATOM 21 N SER A 241 -15.854 -17.568 -14.785 1.00 0.00 N ATOM 22 CA SER A 241 -15.479 -16.374 -15.565 1.00 0.00 C ATOM 23 C SER A 241 -14.336 -15.565 -14.916 1.00 0.00 C ATOM 24 O SER A 241 -14.265 -15.431 -13.689 1.00 0.00 O ATOM 25 CB SER A 241 -16.703 -15.462 -15.756 1.00 0.00 C ATOM 26 OG SER A 241 -17.775 -16.155 -16.389 1.00 0.00 O ATOM 0 H SER A 241 -16.721 -17.447 -14.261 1.00 0.00 H new ATOM 0 HA SER A 241 -15.118 -16.733 -16.529 1.00 0.00 H new ATOM 0 HB2 SER A 241 -17.033 -15.086 -14.788 1.00 0.00 H new ATOM 0 HB3 SER A 241 -16.423 -14.596 -16.356 1.00 0.00 H new ATOM 0 HG SER A 241 -18.539 -15.550 -16.495 1.00 0.00 H new ATOM 32 N GLY A 242 -13.459 -14.987 -15.750 1.00 0.00 N ATOM 33 CA GLY A 242 -12.306 -14.171 -15.336 1.00 0.00 C ATOM 34 C GLY A 242 -11.005 -14.973 -15.227 1.00 0.00 C ATOM 35 O GLY A 242 -11.006 -16.168 -14.927 1.00 0.00 O ATOM 0 H GLY A 242 -13.534 -15.077 -16.763 1.00 0.00 H new ATOM 0 HA2 GLY A 242 -12.167 -13.361 -16.052 1.00 0.00 H new ATOM 0 HA3 GLY A 242 -12.523 -13.710 -14.372 1.00 0.00 H new ATOM 39 N SER A 243 -9.880 -14.305 -15.471 1.00 0.00 N ATOM 40 CA SER A 243 -8.532 -14.898 -15.440 1.00 0.00 C ATOM 41 C SER A 243 -7.979 -15.064 -14.007 1.00 0.00 C ATOM 42 O SER A 243 -8.401 -14.381 -13.071 1.00 0.00 O ATOM 43 CB SER A 243 -7.565 -14.027 -16.264 1.00 0.00 C ATOM 44 OG SER A 243 -8.041 -13.788 -17.586 1.00 0.00 O ATOM 0 H SER A 243 -9.873 -13.312 -15.702 1.00 0.00 H new ATOM 0 HA SER A 243 -8.614 -15.896 -15.871 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.417 -13.074 -15.756 1.00 0.00 H new ATOM 0 HB3 SER A 243 -6.592 -14.516 -16.314 1.00 0.00 H new ATOM 0 HG SER A 243 -7.396 -13.231 -18.070 1.00 0.00 H new ATOM 50 N SER A 244 -6.988 -15.946 -13.825 1.00 0.00 N ATOM 51 CA SER A 244 -6.325 -16.173 -12.522 1.00 0.00 C ATOM 52 C SER A 244 -5.313 -15.061 -12.141 1.00 0.00 C ATOM 53 O SER A 244 -4.833 -15.003 -11.004 1.00 0.00 O ATOM 54 CB SER A 244 -5.658 -17.561 -12.542 1.00 0.00 C ATOM 55 OG SER A 244 -5.378 -18.045 -11.234 1.00 0.00 O ATOM 0 H SER A 244 -6.618 -16.528 -14.577 1.00 0.00 H new ATOM 0 HA SER A 244 -7.089 -16.136 -11.745 1.00 0.00 H new ATOM 0 HB2 SER A 244 -6.310 -18.267 -13.056 1.00 0.00 H new ATOM 0 HB3 SER A 244 -4.731 -17.508 -13.113 1.00 0.00 H new ATOM 0 HG SER A 244 -5.117 -17.297 -10.657 1.00 0.00 H new ATOM 61 N GLY A 245 -5.003 -14.148 -13.076 1.00 0.00 N ATOM 62 CA GLY A 245 -4.082 -13.018 -12.891 1.00 0.00 C ATOM 63 C GLY A 245 -2.632 -13.366 -13.235 1.00 0.00 C ATOM 64 O GLY A 245 -2.370 -14.227 -14.079 1.00 0.00 O ATOM 0 H GLY A 245 -5.402 -14.179 -14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 245 -4.408 -12.185 -13.514 1.00 0.00 H new ATOM 0 HA3 GLY A 245 -4.133 -12.680 -11.856 1.00 0.00 H new ATOM 68 N GLU A 246 -1.691 -12.679 -12.586 1.00 0.00 N ATOM 69 CA GLU A 246 -0.246 -12.786 -12.814 1.00 0.00 C ATOM 70 C GLU A 246 0.562 -12.299 -11.595 1.00 0.00 C ATOM 71 O GLU A 246 0.015 -11.733 -10.645 1.00 0.00 O ATOM 72 CB GLU A 246 0.170 -12.057 -14.114 1.00 0.00 C ATOM 73 CG GLU A 246 -0.014 -10.528 -14.127 1.00 0.00 C ATOM 74 CD GLU A 246 -1.482 -10.098 -14.262 1.00 0.00 C ATOM 75 OE1 GLU A 246 -2.079 -10.299 -15.346 1.00 0.00 O ATOM 76 OE2 GLU A 246 -2.042 -9.541 -13.289 1.00 0.00 O ATOM 0 H GLU A 246 -1.923 -12.005 -11.857 1.00 0.00 H new ATOM 0 HA GLU A 246 -0.010 -13.842 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 246 1.220 -12.277 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -0.403 -12.478 -14.941 1.00 0.00 H new ATOM 0 HG2 GLU A 246 0.397 -10.111 -13.208 1.00 0.00 H new ATOM 0 HG3 GLU A 246 0.559 -10.106 -14.953 1.00 0.00 H new ATOM 83 N ILE A 247 1.878 -12.530 -11.622 1.00 0.00 N ATOM 84 CA ILE A 247 2.838 -12.087 -10.601 1.00 0.00 C ATOM 85 C ILE A 247 3.051 -10.559 -10.691 1.00 0.00 C ATOM 86 O ILE A 247 2.880 -9.948 -11.745 1.00 0.00 O ATOM 87 CB ILE A 247 4.154 -12.912 -10.729 1.00 0.00 C ATOM 88 CG1 ILE A 247 3.917 -14.442 -10.600 1.00 0.00 C ATOM 89 CG2 ILE A 247 5.182 -12.511 -9.651 1.00 0.00 C ATOM 90 CD1 ILE A 247 3.562 -15.174 -11.904 1.00 0.00 C ATOM 0 H ILE A 247 2.322 -13.048 -12.380 1.00 0.00 H new ATOM 0 HA ILE A 247 2.444 -12.276 -9.602 1.00 0.00 H new ATOM 0 HB ILE A 247 4.535 -12.687 -11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 247 4.816 -14.896 -10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.114 -14.607 -9.882 1.00 0.00 H new ATOM 0 HG21 ILE A 247 6.087 -13.107 -9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 247 5.427 -11.454 -9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.760 -12.688 -8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 247 3.418 -16.235 -11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 247 2.644 -14.757 -12.317 1.00 0.00 H new ATOM 0 HD13 ILE A 247 4.372 -15.050 -12.623 1.00 0.00 H new ATOM 102 N SER A 248 3.456 -9.937 -9.586 1.00 0.00 N ATOM 103 CA SER A 248 3.725 -8.499 -9.389 1.00 0.00 C ATOM 104 C SER A 248 4.916 -7.911 -10.197 1.00 0.00 C ATOM 105 O SER A 248 5.484 -6.878 -9.830 1.00 0.00 O ATOM 106 CB SER A 248 3.912 -8.282 -7.875 1.00 0.00 C ATOM 107 OG SER A 248 4.861 -9.193 -7.323 1.00 0.00 O ATOM 0 H SER A 248 3.621 -10.463 -8.728 1.00 0.00 H new ATOM 0 HA SER A 248 2.872 -7.949 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 248 4.241 -7.259 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 248 2.954 -8.404 -7.369 1.00 0.00 H new ATOM 0 HG SER A 248 4.955 -9.025 -6.362 1.00 0.00 H new ATOM 113 N GLY A 249 5.312 -8.548 -11.308 1.00 0.00 N ATOM 114 CA GLY A 249 6.475 -8.212 -12.146 1.00 0.00 C ATOM 115 C GLY A 249 6.263 -7.056 -13.137 1.00 0.00 C ATOM 116 O GLY A 249 6.969 -6.995 -14.145 1.00 0.00 O ATOM 0 H GLY A 249 4.803 -9.356 -11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 249 7.311 -7.960 -11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 249 6.766 -9.100 -12.707 1.00 0.00 H new ATOM 120 N PHE A 250 5.315 -6.150 -12.866 1.00 0.00 N ATOM 121 CA PHE A 250 4.959 -5.005 -13.713 1.00 0.00 C ATOM 122 C PHE A 250 4.688 -3.747 -12.869 1.00 0.00 C ATOM 123 O PHE A 250 4.060 -3.821 -11.810 1.00 0.00 O ATOM 124 CB PHE A 250 3.729 -5.355 -14.570 1.00 0.00 C ATOM 125 CG PHE A 250 3.959 -6.445 -15.601 1.00 0.00 C ATOM 126 CD1 PHE A 250 4.654 -6.152 -16.789 1.00 0.00 C ATOM 127 CD2 PHE A 250 3.473 -7.750 -15.381 1.00 0.00 C ATOM 128 CE1 PHE A 250 4.866 -7.154 -17.752 1.00 0.00 C ATOM 129 CE2 PHE A 250 3.683 -8.752 -16.346 1.00 0.00 C ATOM 130 CZ PHE A 250 4.379 -8.455 -17.531 1.00 0.00 C ATOM 0 H PHE A 250 4.753 -6.197 -12.016 1.00 0.00 H new ATOM 0 HA PHE A 250 5.803 -4.786 -14.368 1.00 0.00 H new ATOM 0 HB2 PHE A 250 2.920 -5.665 -13.909 1.00 0.00 H new ATOM 0 HB3 PHE A 250 3.394 -4.454 -15.084 1.00 0.00 H new ATOM 0 HD1 PHE A 250 5.026 -5.153 -16.962 1.00 0.00 H new ATOM 0 HD2 PHE A 250 2.939 -7.981 -14.471 1.00 0.00 H new ATOM 0 HE1 PHE A 250 5.402 -6.925 -18.661 1.00 0.00 H new ATOM 0 HE2 PHE A 250 3.309 -9.751 -16.176 1.00 0.00 H new ATOM 0 HZ PHE A 250 4.540 -9.225 -18.271 1.00 0.00 H new ATOM 140 N GLY A 251 5.152 -2.591 -13.362 1.00 0.00 N ATOM 141 CA GLY A 251 5.042 -1.282 -12.704 1.00 0.00 C ATOM 142 C GLY A 251 6.264 -0.953 -11.839 1.00 0.00 C ATOM 143 O GLY A 251 6.816 -1.822 -11.163 1.00 0.00 O ATOM 0 H GLY A 251 5.631 -2.540 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 251 4.918 -0.508 -13.461 1.00 0.00 H new ATOM 0 HA3 GLY A 251 4.147 -1.266 -12.083 1.00 0.00 H new ATOM 147 N GLN A 252 6.658 0.324 -11.837 1.00 0.00 N ATOM 148 CA GLN A 252 7.785 0.863 -11.052 1.00 0.00 C ATOM 149 C GLN A 252 7.337 1.729 -9.854 1.00 0.00 C ATOM 150 O GLN A 252 8.168 2.351 -9.190 1.00 0.00 O ATOM 151 CB GLN A 252 8.762 1.602 -11.990 1.00 0.00 C ATOM 152 CG GLN A 252 8.194 2.887 -12.624 1.00 0.00 C ATOM 153 CD GLN A 252 9.235 3.630 -13.471 1.00 0.00 C ATOM 154 OE1 GLN A 252 9.965 3.055 -14.270 1.00 0.00 O ATOM 155 NE2 GLN A 252 9.349 4.937 -13.338 1.00 0.00 N ATOM 0 H GLN A 252 6.191 1.037 -12.397 1.00 0.00 H new ATOM 0 HA GLN A 252 8.309 0.022 -10.598 1.00 0.00 H new ATOM 0 HB2 GLN A 252 9.661 1.856 -11.429 1.00 0.00 H new ATOM 0 HB3 GLN A 252 9.064 0.922 -12.787 1.00 0.00 H new ATOM 0 HG2 GLN A 252 7.337 2.633 -13.247 1.00 0.00 H new ATOM 0 HG3 GLN A 252 7.831 3.548 -11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 252 8.752 5.437 -12.679 1.00 0.00 H new ATOM 0 HE22 GLN A 252 10.034 5.448 -13.894 1.00 0.00 H new ATOM 164 N CYS A 253 6.029 1.770 -9.567 1.00 0.00 N ATOM 165 CA CYS A 253 5.411 2.546 -8.487 1.00 0.00 C ATOM 166 C CYS A 253 4.612 1.604 -7.563 1.00 0.00 C ATOM 167 O CYS A 253 3.910 0.707 -8.040 1.00 0.00 O ATOM 168 CB CYS A 253 4.536 3.640 -9.129 1.00 0.00 C ATOM 169 SG CYS A 253 4.721 5.209 -8.232 1.00 0.00 S ATOM 0 H CYS A 253 5.344 1.240 -10.106 1.00 0.00 H new ATOM 0 HA CYS A 253 6.161 3.031 -7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 253 4.820 3.775 -10.173 1.00 0.00 H new ATOM 0 HB3 CYS A 253 3.491 3.330 -9.120 1.00 0.00 H new ATOM 0 HG CYS A 253 5.242 4.982 -7.063 1.00 0.00 H new ATOM 175 N LEU A 254 4.724 1.793 -6.246 1.00 0.00 N ATOM 176 CA LEU A 254 4.144 0.919 -5.221 1.00 0.00 C ATOM 177 C LEU A 254 2.788 1.494 -4.813 1.00 0.00 C ATOM 178 O LEU A 254 2.713 2.665 -4.447 1.00 0.00 O ATOM 179 CB LEU A 254 5.130 0.838 -4.036 1.00 0.00 C ATOM 180 CG LEU A 254 5.030 -0.406 -3.128 1.00 0.00 C ATOM 181 CD1 LEU A 254 6.044 -0.288 -1.980 1.00 0.00 C ATOM 182 CD2 LEU A 254 3.643 -0.674 -2.535 1.00 0.00 C ATOM 0 H LEU A 254 5.236 2.582 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 254 3.982 -0.094 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 254 6.144 0.887 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 254 4.988 1.723 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 254 5.246 -1.252 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 254 5.972 -1.167 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 254 7.052 -0.219 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.829 0.606 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 254 3.680 -1.569 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 254 3.336 0.177 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 254 2.925 -0.822 -3.342 1.00 0.00 H new ATOM 194 N VAL A 255 1.731 0.688 -4.887 1.00 0.00 N ATOM 195 CA VAL A 255 0.354 1.086 -4.554 1.00 0.00 C ATOM 196 C VAL A 255 0.087 0.814 -3.072 1.00 0.00 C ATOM 197 O VAL A 255 0.341 -0.286 -2.578 1.00 0.00 O ATOM 198 CB VAL A 255 -0.678 0.352 -5.443 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.107 0.869 -5.200 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.332 0.521 -6.933 1.00 0.00 C ATOM 0 H VAL A 255 1.804 -0.284 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 255 0.245 2.153 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.636 -0.703 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.803 0.330 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.379 0.710 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.153 1.934 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.071 -0.003 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.337 1.580 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.657 0.106 -7.126 1.00 0.00 H new ATOM 210 N TRP A 256 -0.441 1.823 -2.378 1.00 0.00 N ATOM 211 CA TRP A 256 -0.763 1.785 -0.952 1.00 0.00 C ATOM 212 C TRP A 256 -2.245 2.131 -0.723 1.00 0.00 C ATOM 213 O TRP A 256 -2.776 3.066 -1.327 1.00 0.00 O ATOM 214 CB TRP A 256 0.137 2.779 -0.202 1.00 0.00 C ATOM 215 CG TRP A 256 1.598 2.463 -0.081 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.542 2.718 -1.014 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.314 1.871 1.049 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.786 2.391 -0.518 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.709 1.867 0.750 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.927 1.318 2.289 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.676 1.373 1.637 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.884 0.773 3.167 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.254 0.811 2.852 1.00 0.00 C ATOM 0 H TRP A 256 -0.664 2.720 -2.809 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.587 0.778 -0.573 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.046 3.747 -0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.263 2.895 0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.351 3.117 -1.999 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.658 2.522 -1.030 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.884 1.313 2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.726 1.424 1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.562 0.321 4.093 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.980 0.409 3.543 1.00 0.00 H new ATOM 234 N VAL A 257 -2.892 1.398 0.185 1.00 0.00 N ATOM 235 CA VAL A 257 -4.329 1.518 0.517 1.00 0.00 C ATOM 236 C VAL A 257 -4.525 1.867 1.986 1.00 0.00 C ATOM 237 O VAL A 257 -3.934 1.222 2.850 1.00 0.00 O ATOM 238 CB VAL A 257 -5.116 0.217 0.229 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.607 0.194 -1.214 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.312 -1.061 0.517 1.00 0.00 C ATOM 0 H VAL A 257 -2.422 0.678 0.733 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.713 2.314 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.964 0.224 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.158 -0.729 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.261 1.048 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.753 0.246 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.925 -1.934 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.417 -1.076 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.023 -1.080 1.568 1.00 0.00 H new ATOM 250 N GLN A 258 -5.359 2.873 2.262 1.00 0.00 N ATOM 251 CA GLN A 258 -5.688 3.301 3.619 1.00 0.00 C ATOM 252 C GLN A 258 -6.948 2.592 4.131 1.00 0.00 C ATOM 253 O GLN A 258 -7.981 2.575 3.454 1.00 0.00 O ATOM 254 CB GLN A 258 -5.851 4.827 3.678 1.00 0.00 C ATOM 255 CG GLN A 258 -5.912 5.334 5.128 1.00 0.00 C ATOM 256 CD GLN A 258 -5.819 6.858 5.239 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.440 7.612 4.499 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.046 7.375 6.173 1.00 0.00 N ATOM 0 H GLN A 258 -5.829 3.418 1.539 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.863 3.021 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.018 5.303 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.761 5.117 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.844 4.999 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.099 4.884 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.522 6.763 6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.972 8.388 6.271 1.00 0.00 H new ATOM 267 N CYS A 259 -6.858 2.050 5.348 1.00 0.00 N ATOM 268 CA CYS A 259 -7.951 1.418 6.079 1.00 0.00 C ATOM 269 C CYS A 259 -9.191 2.336 6.202 1.00 0.00 C ATOM 270 O CYS A 259 -9.080 3.533 6.488 1.00 0.00 O ATOM 271 CB CYS A 259 -7.404 1.031 7.457 1.00 0.00 C ATOM 272 SG CYS A 259 -8.558 -0.105 8.269 1.00 0.00 S ATOM 0 H CYS A 259 -5.982 2.041 5.870 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.298 0.539 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.427 0.560 7.353 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.265 1.923 8.068 1.00 0.00 H new ATOM 277 N SER A 260 -10.380 1.775 5.989 1.00 0.00 N ATOM 278 CA SER A 260 -11.662 2.492 6.057 1.00 0.00 C ATOM 279 C SER A 260 -12.030 2.990 7.467 1.00 0.00 C ATOM 280 O SER A 260 -12.800 3.949 7.589 1.00 0.00 O ATOM 281 CB SER A 260 -12.806 1.623 5.510 1.00 0.00 C ATOM 282 OG SER A 260 -12.898 0.389 6.208 1.00 0.00 O ATOM 0 H SER A 260 -10.486 0.787 5.759 1.00 0.00 H new ATOM 0 HA SER A 260 -11.527 3.376 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.749 2.163 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.645 1.432 4.449 1.00 0.00 H new ATOM 0 HG SER A 260 -13.635 -0.141 5.839 1.00 0.00 H new ATOM 288 N PHE A 261 -11.477 2.394 8.533 1.00 0.00 N ATOM 289 CA PHE A 261 -11.723 2.836 9.904 1.00 0.00 C ATOM 290 C PHE A 261 -10.884 4.073 10.272 1.00 0.00 C ATOM 291 O PHE A 261 -9.671 4.086 10.034 1.00 0.00 O ATOM 292 CB PHE A 261 -11.477 1.694 10.891 1.00 0.00 C ATOM 293 CG PHE A 261 -12.439 0.536 10.760 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.757 0.666 11.234 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.014 -0.676 10.183 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.651 -0.415 11.126 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.902 -1.759 10.089 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.223 -1.628 10.555 1.00 0.00 C ATOM 0 H PHE A 261 -10.848 1.594 8.464 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.771 3.130 9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.461 1.324 10.753 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.538 2.088 11.906 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.082 1.594 11.680 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.004 -0.772 9.813 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.666 -0.314 11.481 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.571 -2.693 9.659 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.909 -2.458 10.475 1.00 0.00 H new ATOM 308 N PRO A 262 -11.503 5.084 10.915 1.00 0.00 N ATOM 309 CA PRO A 262 -10.840 6.319 11.321 1.00 0.00 C ATOM 310 C PRO A 262 -9.862 6.100 12.483 1.00 0.00 C ATOM 311 O PRO A 262 -8.828 6.760 12.553 1.00 0.00 O ATOM 312 CB PRO A 262 -11.986 7.249 11.723 1.00 0.00 C ATOM 313 CG PRO A 262 -13.085 6.312 12.219 1.00 0.00 C ATOM 314 CD PRO A 262 -12.902 5.092 11.326 1.00 0.00 C ATOM 0 HA PRO A 262 -10.228 6.731 10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.677 7.945 12.502 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.326 7.847 10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.963 6.065 13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.076 6.753 12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.154 4.177 11.863 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.560 5.144 10.459 1.00 0.00 H new ATOM 322 N ASN A 263 -10.159 5.136 13.363 1.00 0.00 N ATOM 323 CA ASN A 263 -9.279 4.701 14.456 1.00 0.00 C ATOM 324 C ASN A 263 -8.079 3.841 13.988 1.00 0.00 C ATOM 325 O ASN A 263 -7.170 3.572 14.779 1.00 0.00 O ATOM 326 CB ASN A 263 -10.126 3.985 15.522 1.00 0.00 C ATOM 327 CG ASN A 263 -10.814 2.728 14.991 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.177 1.729 14.681 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.130 2.744 14.849 1.00 0.00 N ATOM 0 H ASN A 263 -11.040 4.623 13.334 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.819 5.589 14.889 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.489 3.716 16.364 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.881 4.674 15.901 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.613 1.924 14.481 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.661 3.576 15.107 1.00 0.00 H new ATOM 336 N CYS A 264 -8.058 3.451 12.707 1.00 0.00 N ATOM 337 CA CYS A 264 -6.942 2.787 12.036 1.00 0.00 C ATOM 338 C CYS A 264 -6.166 3.835 11.224 1.00 0.00 C ATOM 339 O CYS A 264 -5.116 4.312 11.661 1.00 0.00 O ATOM 340 CB CYS A 264 -7.492 1.645 11.163 1.00 0.00 C ATOM 341 SG CYS A 264 -6.471 0.152 11.246 1.00 0.00 S ATOM 0 H CYS A 264 -8.854 3.598 12.087 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.250 2.344 12.752 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.506 1.405 11.482 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.554 1.981 10.128 1.00 0.00 H new ATOM 346 N GLY A 265 -6.690 4.184 10.040 1.00 0.00 N ATOM 347 CA GLY A 265 -6.055 5.079 9.080 1.00 0.00 C ATOM 348 C GLY A 265 -4.735 4.533 8.531 1.00 0.00 C ATOM 349 O GLY A 265 -3.960 5.288 7.942 1.00 0.00 O ATOM 0 H GLY A 265 -7.595 3.837 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.740 5.258 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.873 6.042 9.556 1.00 0.00 H new ATOM 353 N LYS A 266 -4.463 3.240 8.738 1.00 0.00 N ATOM 354 CA LYS A 266 -3.200 2.595 8.388 1.00 0.00 C ATOM 355 C LYS A 266 -3.075 2.374 6.881 1.00 0.00 C ATOM 356 O LYS A 266 -4.060 2.046 6.219 1.00 0.00 O ATOM 357 CB LYS A 266 -3.069 1.253 9.121 1.00 0.00 C ATOM 358 CG LYS A 266 -3.031 1.405 10.639 1.00 0.00 C ATOM 359 CD LYS A 266 -2.840 0.015 11.247 1.00 0.00 C ATOM 360 CE LYS A 266 -2.790 0.076 12.766 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.094 0.502 13.343 1.00 0.00 N ATOM 0 H LYS A 266 -5.134 2.600 9.164 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.395 3.261 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.907 0.612 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.161 0.751 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.217 2.066 10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.955 1.856 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.656 -0.636 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.918 -0.426 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.520 -0.903 13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.010 0.771 13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.408 -0.197 14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.984 1.429 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.803 0.572 12.585 1.00 0.00 H new ATOM 375 N TRP A 267 -1.860 2.497 6.349 1.00 0.00 N ATOM 376 CA TRP A 267 -1.555 2.213 4.951 1.00 0.00 C ATOM 377 C TRP A 267 -0.910 0.827 4.830 1.00 0.00 C ATOM 378 O TRP A 267 0.084 0.551 5.497 1.00 0.00 O ATOM 379 CB TRP A 267 -0.659 3.324 4.390 1.00 0.00 C ATOM 380 CG TRP A 267 -1.285 4.683 4.347 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.246 5.602 5.337 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.041 5.305 3.263 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.901 6.750 4.934 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.400 6.628 3.656 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.454 4.883 1.982 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.107 7.498 2.811 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.177 5.741 1.131 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.487 7.052 1.534 1.00 0.00 C ATOM 0 H TRP A 267 -1.049 2.802 6.887 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.471 2.195 4.360 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.248 3.377 4.993 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.355 3.049 3.380 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.774 5.461 6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.002 7.585 5.512 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.212 3.885 1.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.355 8.497 3.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.496 5.389 0.161 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.016 7.714 0.864 1.00 0.00 H new ATOM 399 N ARG A 268 -1.466 -0.043 3.980 1.00 0.00 N ATOM 400 CA ARG A 268 -0.892 -1.359 3.662 1.00 0.00 C ATOM 401 C ARG A 268 -0.442 -1.398 2.194 1.00 0.00 C ATOM 402 O ARG A 268 -1.063 -0.758 1.333 1.00 0.00 O ATOM 403 CB ARG A 268 -1.886 -2.497 3.968 1.00 0.00 C ATOM 404 CG ARG A 268 -2.595 -2.450 5.337 1.00 0.00 C ATOM 405 CD ARG A 268 -1.695 -2.444 6.578 1.00 0.00 C ATOM 406 NE ARG A 268 -2.519 -2.597 7.789 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.092 -2.702 9.036 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.841 -2.493 9.381 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.950 -3.013 9.971 1.00 0.00 N ATOM 0 H ARG A 268 -2.338 0.147 3.486 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.020 -1.513 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.649 -2.500 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.352 -3.444 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.221 -1.558 5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.262 -3.309 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -0.968 -3.254 6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.131 -1.513 6.626 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.529 -2.625 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.153 -2.238 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.559 -2.586 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.929 -3.170 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.640 -3.099 10.939 1.00 0.00 H new ATOM 423 N ARG A 269 0.642 -2.134 1.929 1.00 0.00 N ATOM 424 CA ARG A 269 1.209 -2.367 0.592 1.00 0.00 C ATOM 425 C ARG A 269 0.364 -3.359 -0.211 1.00 0.00 C ATOM 426 O ARG A 269 -0.230 -4.271 0.363 1.00 0.00 O ATOM 427 CB ARG A 269 2.636 -2.934 0.704 1.00 0.00 C ATOM 428 CG ARG A 269 3.622 -1.934 1.291 1.00 0.00 C ATOM 429 CD ARG A 269 5.070 -2.443 1.295 1.00 0.00 C ATOM 430 NE ARG A 269 5.267 -3.537 2.261 1.00 0.00 N ATOM 431 CZ ARG A 269 5.578 -4.805 2.034 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.709 -5.304 0.821 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.764 -5.596 3.064 1.00 0.00 N ATOM 0 H ARG A 269 1.170 -2.602 2.665 1.00 0.00 H new ATOM 0 HA ARG A 269 1.221 -1.405 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.619 -3.829 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.980 -3.239 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.571 -1.006 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.324 -1.697 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.335 -2.789 0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.743 -1.620 1.537 1.00 0.00 H new ATOM 0 HE ARG A 269 5.147 -3.283 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.570 -4.707 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 269 5.950 -6.287 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.668 -5.231 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.004 -6.576 2.917 1.00 0.00 H new ATOM 447 N LEU A 270 0.378 -3.214 -1.538 1.00 0.00 N ATOM 448 CA LEU A 270 -0.287 -4.109 -2.498 1.00 0.00 C ATOM 449 C LEU A 270 0.676 -4.653 -3.565 1.00 0.00 C ATOM 450 O LEU A 270 1.777 -4.139 -3.769 1.00 0.00 O ATOM 451 CB LEU A 270 -1.464 -3.375 -3.176 1.00 0.00 C ATOM 452 CG LEU A 270 -2.627 -2.973 -2.252 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.723 -2.346 -3.120 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.233 -4.148 -1.463 1.00 0.00 C ATOM 0 H LEU A 270 0.869 -2.444 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.658 -4.965 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.078 -2.475 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.858 -4.013 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.228 -2.278 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.562 -2.051 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.326 -1.468 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.062 -3.072 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.046 -3.784 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.618 -4.894 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.465 -4.600 -0.835 1.00 0.00 H new ATOM 466 N CYS A 271 0.205 -5.676 -4.281 1.00 0.00 N ATOM 467 CA CYS A 271 0.892 -6.382 -5.372 1.00 0.00 C ATOM 468 C CYS A 271 1.168 -5.536 -6.639 1.00 0.00 C ATOM 469 O CYS A 271 1.940 -5.961 -7.498 1.00 0.00 O ATOM 470 CB CYS A 271 0.035 -7.626 -5.672 1.00 0.00 C ATOM 471 SG CYS A 271 0.282 -8.878 -4.379 1.00 0.00 S ATOM 0 H CYS A 271 -0.724 -6.060 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 271 1.900 -6.643 -5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 271 -1.018 -7.348 -5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 271 0.305 -8.038 -6.645 1.00 0.00 H new ATOM 0 HG CYS A 271 -0.447 -9.922 -4.641 1.00 0.00 H new ATOM 477 N GLY A 272 0.569 -4.345 -6.774 1.00 0.00 N ATOM 478 CA GLY A 272 0.899 -3.345 -7.810 1.00 0.00 C ATOM 479 C GLY A 272 0.289 -3.596 -9.194 1.00 0.00 C ATOM 480 O GLY A 272 0.005 -2.638 -9.909 1.00 0.00 O ATOM 0 H GLY A 272 -0.179 -4.038 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 272 0.572 -2.366 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 272 1.983 -3.300 -7.914 1.00 0.00 H new ATOM 484 N ASN A 273 0.031 -4.855 -9.561 1.00 0.00 N ATOM 485 CA ASN A 273 -0.726 -5.228 -10.767 1.00 0.00 C ATOM 486 C ASN A 273 -2.256 -5.047 -10.606 1.00 0.00 C ATOM 487 O ASN A 273 -3.001 -5.135 -11.584 1.00 0.00 O ATOM 488 CB ASN A 273 -0.334 -6.646 -11.231 1.00 0.00 C ATOM 489 CG ASN A 273 -0.659 -7.752 -10.229 1.00 0.00 C ATOM 490 OD1 ASN A 273 -0.269 -7.697 -9.069 1.00 0.00 O ATOM 491 ND2 ASN A 273 -1.356 -8.794 -10.635 1.00 0.00 N ATOM 0 H ASN A 273 0.347 -5.660 -9.021 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.448 -4.531 -11.557 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -0.845 -6.862 -12.170 1.00 0.00 H new ATOM 0 HB3 ASN A 273 0.736 -6.664 -11.439 1.00 0.00 H new ATOM 0 HD21 ASN A 273 -1.569 -9.550 -9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 273 -1.683 -8.844 -11.600 1.00 0.00 H new ATOM 498 N ILE A 274 -2.728 -4.749 -9.388 1.00 0.00 N ATOM 499 CA ILE A 274 -4.098 -4.325 -9.070 1.00 0.00 C ATOM 500 C ILE A 274 -4.153 -2.794 -9.075 1.00 0.00 C ATOM 501 O ILE A 274 -3.311 -2.129 -8.469 1.00 0.00 O ATOM 502 CB ILE A 274 -4.555 -4.879 -7.700 1.00 0.00 C ATOM 503 CG1 ILE A 274 -4.467 -6.421 -7.624 1.00 0.00 C ATOM 504 CG2 ILE A 274 -6.005 -4.432 -7.422 1.00 0.00 C ATOM 505 CD1 ILE A 274 -3.115 -6.929 -7.136 1.00 0.00 C ATOM 0 H ILE A 274 -2.137 -4.799 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.778 -4.724 -9.823 1.00 0.00 H new ATOM 0 HB ILE A 274 -3.879 -4.477 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -5.247 -6.789 -6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -4.668 -6.838 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -6.327 -4.822 -6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -6.054 -3.343 -7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -6.660 -4.814 -8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -3.124 -8.019 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -2.332 -6.591 -7.815 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -2.920 -6.541 -6.136 1.00 0.00 H new ATOM 517 N ASP A 275 -5.159 -2.237 -9.744 1.00 0.00 N ATOM 518 CA ASP A 275 -5.342 -0.791 -9.886 1.00 0.00 C ATOM 519 C ASP A 275 -6.235 -0.213 -8.762 1.00 0.00 C ATOM 520 O ASP A 275 -7.313 -0.759 -8.494 1.00 0.00 O ATOM 521 CB ASP A 275 -5.921 -0.500 -11.275 1.00 0.00 C ATOM 522 CG ASP A 275 -5.860 0.991 -11.631 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.650 1.768 -11.046 1.00 0.00 O ATOM 524 OD2 ASP A 275 -5.022 1.374 -12.481 1.00 0.00 O ATOM 0 H ASP A 275 -5.882 -2.784 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.375 -0.297 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -5.372 -1.072 -12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.957 -0.838 -11.313 1.00 0.00 H new ATOM 529 N PRO A 276 -5.847 0.910 -8.127 1.00 0.00 N ATOM 530 CA PRO A 276 -6.617 1.528 -7.053 1.00 0.00 C ATOM 531 C PRO A 276 -8.016 2.009 -7.473 1.00 0.00 C ATOM 532 O PRO A 276 -8.872 2.187 -6.611 1.00 0.00 O ATOM 533 CB PRO A 276 -5.740 2.661 -6.511 1.00 0.00 C ATOM 534 CG PRO A 276 -4.794 2.992 -7.660 1.00 0.00 C ATOM 535 CD PRO A 276 -4.613 1.643 -8.350 1.00 0.00 C ATOM 0 HA PRO A 276 -6.841 0.790 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.339 3.526 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.192 2.348 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.220 3.736 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.846 3.393 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.423 1.772 -9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.760 1.105 -7.937 1.00 0.00 H new ATOM 543 N SER A 277 -8.298 2.152 -8.772 1.00 0.00 N ATOM 544 CA SER A 277 -9.630 2.505 -9.285 1.00 0.00 C ATOM 545 C SER A 277 -10.606 1.306 -9.337 1.00 0.00 C ATOM 546 O SER A 277 -11.805 1.503 -9.551 1.00 0.00 O ATOM 547 CB SER A 277 -9.477 3.169 -10.665 1.00 0.00 C ATOM 548 OG SER A 277 -10.607 3.959 -11.014 1.00 0.00 O ATOM 0 H SER A 277 -7.602 2.025 -9.507 1.00 0.00 H new ATOM 0 HA SER A 277 -10.081 3.208 -8.585 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.585 3.795 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 277 -9.328 2.399 -11.422 1.00 0.00 H new ATOM 0 HG SER A 277 -11.427 3.494 -10.746 1.00 0.00 H new ATOM 554 N VAL A 278 -10.133 0.068 -9.096 1.00 0.00 N ATOM 555 CA VAL A 278 -10.972 -1.157 -9.018 1.00 0.00 C ATOM 556 C VAL A 278 -11.024 -1.769 -7.603 1.00 0.00 C ATOM 557 O VAL A 278 -11.488 -2.898 -7.429 1.00 0.00 O ATOM 558 CB VAL A 278 -10.625 -2.213 -10.101 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.734 -1.618 -11.517 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.248 -2.878 -9.938 1.00 0.00 C ATOM 0 H VAL A 278 -9.141 -0.119 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.983 -0.817 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.368 -2.997 -9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.485 -2.382 -12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.752 -1.268 -11.687 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -10.042 -0.781 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -9.095 -3.600 -10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.469 -2.117 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.202 -3.389 -8.976 1.00 0.00 H new ATOM 570 N LEU A 279 -10.574 -1.025 -6.581 1.00 0.00 N ATOM 571 CA LEU A 279 -10.658 -1.408 -5.164 1.00 0.00 C ATOM 572 C LEU A 279 -11.921 -0.830 -4.488 1.00 0.00 C ATOM 573 O LEU A 279 -12.431 0.207 -4.930 1.00 0.00 O ATOM 574 CB LEU A 279 -9.363 -0.977 -4.447 1.00 0.00 C ATOM 575 CG LEU A 279 -8.131 -1.797 -4.880 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.866 -1.193 -4.271 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.234 -3.257 -4.405 1.00 0.00 C ATOM 0 H LEU A 279 -10.130 -0.117 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.752 -2.492 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.178 0.078 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.500 -1.079 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.089 -1.773 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -5.999 -1.777 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.752 -0.165 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.943 -1.207 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.350 -3.807 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.301 -3.282 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.124 -3.717 -4.834 1.00 0.00 H new ATOM 589 N PRO A 280 -12.440 -1.500 -3.436 1.00 0.00 N ATOM 590 CA PRO A 280 -13.695 -1.148 -2.780 1.00 0.00 C ATOM 591 C PRO A 280 -13.566 0.138 -1.960 1.00 0.00 C ATOM 592 O PRO A 280 -12.531 0.402 -1.351 1.00 0.00 O ATOM 593 CB PRO A 280 -14.048 -2.353 -1.899 1.00 0.00 C ATOM 594 CG PRO A 280 -12.704 -3.015 -1.608 1.00 0.00 C ATOM 595 CD PRO A 280 -11.887 -2.715 -2.853 1.00 0.00 C ATOM 0 HA PRO A 280 -14.481 -0.943 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.545 -2.042 -0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.725 -3.036 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.238 -2.603 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.811 -4.088 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.835 -2.579 -2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -11.942 -3.543 -3.560 1.00 0.00 H new ATOM 603 N ASP A 281 -14.648 0.921 -1.901 1.00 0.00 N ATOM 604 CA ASP A 281 -14.730 2.161 -1.111 1.00 0.00 C ATOM 605 C ASP A 281 -14.715 1.917 0.414 1.00 0.00 C ATOM 606 O ASP A 281 -14.530 2.853 1.193 1.00 0.00 O ATOM 607 CB ASP A 281 -15.992 2.941 -1.513 1.00 0.00 C ATOM 608 CG ASP A 281 -15.940 3.435 -2.968 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.256 4.453 -3.228 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.601 2.818 -3.838 1.00 0.00 O ATOM 0 H ASP A 281 -15.508 0.710 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.836 2.744 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.867 2.304 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.115 3.795 -0.847 1.00 0.00 H new ATOM 615 N ASN A 282 -14.854 0.658 0.834 1.00 0.00 N ATOM 616 CA ASN A 282 -14.843 0.196 2.225 1.00 0.00 C ATOM 617 C ASN A 282 -13.665 -0.767 2.502 1.00 0.00 C ATOM 618 O ASN A 282 -13.736 -1.592 3.416 1.00 0.00 O ATOM 619 CB ASN A 282 -16.213 -0.429 2.551 1.00 0.00 C ATOM 620 CG ASN A 282 -17.364 0.559 2.392 1.00 0.00 C ATOM 621 OD1 ASN A 282 -18.037 0.609 1.369 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.631 1.368 3.402 1.00 0.00 N ATOM 0 H ASN A 282 -14.985 -0.110 0.176 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.682 1.045 2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.382 -1.285 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.202 -0.806 3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -18.399 2.036 3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.070 1.325 4.252 1.00 0.00 H new ATOM 629 N TRP A 283 -12.585 -0.683 1.710 1.00 0.00 N ATOM 630 CA TRP A 283 -11.339 -1.424 1.935 1.00 0.00 C ATOM 631 C TRP A 283 -10.787 -1.209 3.357 1.00 0.00 C ATOM 632 O TRP A 283 -10.717 -0.082 3.840 1.00 0.00 O ATOM 633 CB TRP A 283 -10.291 -1.020 0.889 1.00 0.00 C ATOM 634 CG TRP A 283 -9.100 -1.918 0.886 1.00 0.00 C ATOM 635 CD1 TRP A 283 -8.917 -2.975 0.062 1.00 0.00 C ATOM 636 CD2 TRP A 283 -7.963 -1.914 1.803 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.766 -3.647 0.427 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.155 -3.051 1.511 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.556 -1.092 2.879 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.012 -3.358 2.260 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.422 -1.402 3.647 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.657 -2.536 3.337 1.00 0.00 C ATOM 0 H TRP A 283 -12.555 -0.088 0.882 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.563 -2.486 1.832 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.749 -1.029 -0.100 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -9.968 0.003 1.081 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.569 -3.251 -0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.413 -4.479 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.129 -0.208 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.411 -4.220 2.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.139 -0.768 4.475 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.789 -2.777 3.932 1.00 0.00 H new ATOM 653 N SER A 284 -10.349 -2.277 4.015 1.00 0.00 N ATOM 654 CA SER A 284 -9.806 -2.277 5.380 1.00 0.00 C ATOM 655 C SER A 284 -8.631 -3.256 5.494 1.00 0.00 C ATOM 656 O SER A 284 -8.402 -4.054 4.580 1.00 0.00 O ATOM 657 CB SER A 284 -10.912 -2.653 6.379 1.00 0.00 C ATOM 658 OG SER A 284 -11.400 -3.975 6.156 1.00 0.00 O ATOM 0 H SER A 284 -10.361 -3.208 3.599 1.00 0.00 H new ATOM 0 HA SER A 284 -9.440 -1.277 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.526 -2.575 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.735 -1.943 6.295 1.00 0.00 H new ATOM 0 HG SER A 284 -12.100 -4.180 6.810 1.00 0.00 H new ATOM 664 N CYS A 285 -7.908 -3.245 6.621 1.00 0.00 N ATOM 665 CA CYS A 285 -6.811 -4.187 6.877 1.00 0.00 C ATOM 666 C CYS A 285 -7.227 -5.667 6.657 1.00 0.00 C ATOM 667 O CYS A 285 -6.419 -6.482 6.217 1.00 0.00 O ATOM 668 CB CYS A 285 -6.284 -4.020 8.313 1.00 0.00 C ATOM 669 SG CYS A 285 -5.721 -2.339 8.700 1.00 0.00 S ATOM 0 H CYS A 285 -8.067 -2.583 7.381 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.027 -3.950 6.157 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.072 -4.299 9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.458 -4.714 8.469 1.00 0.00 H new ATOM 674 N ASP A 286 -8.495 -6.016 6.907 1.00 0.00 N ATOM 675 CA ASP A 286 -9.070 -7.354 6.688 1.00 0.00 C ATOM 676 C ASP A 286 -9.135 -7.770 5.199 1.00 0.00 C ATOM 677 O ASP A 286 -9.321 -8.946 4.884 1.00 0.00 O ATOM 678 CB ASP A 286 -10.464 -7.386 7.337 1.00 0.00 C ATOM 679 CG ASP A 286 -11.096 -8.790 7.345 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.587 -9.675 8.072 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.129 -8.988 6.659 1.00 0.00 O ATOM 0 H ASP A 286 -9.175 -5.353 7.280 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.409 -8.087 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.389 -7.022 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.122 -6.701 6.803 1.00 0.00 H new ATOM 686 N GLN A 287 -8.946 -6.817 4.282 1.00 0.00 N ATOM 687 CA GLN A 287 -8.979 -6.985 2.825 1.00 0.00 C ATOM 688 C GLN A 287 -7.564 -6.923 2.204 1.00 0.00 C ATOM 689 O GLN A 287 -7.420 -6.804 0.984 1.00 0.00 O ATOM 690 CB GLN A 287 -9.948 -5.931 2.248 1.00 0.00 C ATOM 691 CG GLN A 287 -11.407 -6.232 2.636 1.00 0.00 C ATOM 692 CD GLN A 287 -12.334 -5.036 2.438 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.810 -4.751 1.347 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.621 -4.282 3.479 1.00 0.00 N ATOM 0 H GLN A 287 -8.755 -5.852 4.551 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.346 -7.978 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.670 -4.942 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.857 -5.908 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.771 -7.069 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.443 -6.544 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.232 -4.507 4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.233 -3.473 3.370 1.00 0.00 H new ATOM 703 N ASN A 288 -6.511 -7.016 3.024 1.00 0.00 N ATOM 704 CA ASN A 288 -5.112 -7.006 2.581 1.00 0.00 C ATOM 705 C ASN A 288 -4.672 -8.300 1.870 1.00 0.00 C ATOM 706 O ASN A 288 -5.211 -9.384 2.121 1.00 0.00 O ATOM 707 CB ASN A 288 -4.198 -6.701 3.782 1.00 0.00 C ATOM 708 CG ASN A 288 -2.831 -6.188 3.342 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.719 -5.371 2.440 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.752 -6.682 3.920 1.00 0.00 N ATOM 0 H ASN A 288 -6.610 -7.102 4.036 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.022 -6.221 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.675 -5.959 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.072 -7.603 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.827 -6.382 3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.844 -7.364 4.673 1.00 0.00 H new ATOM 717 N THR A 289 -3.646 -8.186 1.015 1.00 0.00 N ATOM 718 CA THR A 289 -3.033 -9.301 0.269 1.00 0.00 C ATOM 719 C THR A 289 -1.956 -10.036 1.064 1.00 0.00 C ATOM 720 O THR A 289 -1.570 -11.139 0.681 1.00 0.00 O ATOM 721 CB THR A 289 -2.439 -8.797 -1.053 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.554 -7.729 -0.786 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.523 -8.293 -2.004 1.00 0.00 C ATOM 0 H THR A 289 -3.204 -7.289 0.815 1.00 0.00 H new ATOM 0 HA THR A 289 -3.834 -10.015 0.074 1.00 0.00 H new ATOM 0 HB THR A 289 -1.921 -9.632 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.170 -7.404 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.063 -7.945 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.217 -9.103 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.064 -7.471 -1.536 1.00 0.00 H new ATOM 731 N ASP A 290 -1.493 -9.458 2.175 1.00 0.00 N ATOM 732 CA ASP A 290 -0.375 -9.958 2.980 1.00 0.00 C ATOM 733 C ASP A 290 -0.802 -10.263 4.426 1.00 0.00 C ATOM 734 O ASP A 290 -1.225 -9.370 5.162 1.00 0.00 O ATOM 735 CB ASP A 290 0.784 -8.939 2.943 1.00 0.00 C ATOM 736 CG ASP A 290 2.107 -9.591 2.505 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.428 -10.689 3.018 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.813 -9.007 1.650 1.00 0.00 O ATOM 0 H ASP A 290 -1.899 -8.601 2.552 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.035 -10.900 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.534 -8.129 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.908 -8.494 3.930 1.00 0.00 H new ATOM 743 N VAL A 291 -0.654 -11.527 4.839 1.00 0.00 N ATOM 744 CA VAL A 291 -1.111 -12.054 6.147 1.00 0.00 C ATOM 745 C VAL A 291 -0.364 -11.459 7.348 1.00 0.00 C ATOM 746 O VAL A 291 -0.847 -11.513 8.477 1.00 0.00 O ATOM 747 CB VAL A 291 -1.022 -13.597 6.229 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.885 -14.249 5.139 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.426 -14.111 6.129 1.00 0.00 C ATOM 0 H VAL A 291 -0.202 -12.237 4.263 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.154 -11.744 6.204 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.402 -13.880 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.808 -15.334 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.925 -13.949 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.536 -13.928 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.431 -15.199 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.857 -13.801 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.016 -13.698 6.947 1.00 0.00 H new ATOM 759 N GLN A 292 0.807 -10.873 7.095 1.00 0.00 N ATOM 760 CA GLN A 292 1.624 -10.174 8.086 1.00 0.00 C ATOM 761 C GLN A 292 1.004 -8.850 8.552 1.00 0.00 C ATOM 762 O GLN A 292 1.379 -8.358 9.614 1.00 0.00 O ATOM 763 CB GLN A 292 3.060 -9.986 7.558 1.00 0.00 C ATOM 764 CG GLN A 292 3.181 -9.728 6.048 1.00 0.00 C ATOM 765 CD GLN A 292 4.566 -9.238 5.615 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.724 -8.188 5.006 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.626 -9.969 5.902 1.00 0.00 N ATOM 0 H GLN A 292 1.226 -10.872 6.165 1.00 0.00 H new ATOM 0 HA GLN A 292 1.663 -10.803 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.517 -9.151 8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.639 -10.876 7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.947 -10.648 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.436 -8.989 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.518 -10.848 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.554 -9.656 5.617 1.00 0.00 H new ATOM 776 N TYR A 293 0.032 -8.305 7.807 1.00 0.00 N ATOM 777 CA TYR A 293 -0.657 -7.041 8.121 1.00 0.00 C ATOM 778 C TYR A 293 -2.161 -7.070 7.765 1.00 0.00 C ATOM 779 O TYR A 293 -2.771 -6.033 7.503 1.00 0.00 O ATOM 780 CB TYR A 293 0.088 -5.858 7.473 1.00 0.00 C ATOM 781 CG TYR A 293 1.517 -5.667 7.951 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.771 -4.873 9.084 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.587 -6.312 7.300 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.080 -4.733 9.581 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.897 -6.186 7.795 1.00 0.00 C ATOM 786 CZ TYR A 293 4.150 -5.400 8.941 1.00 0.00 C ATOM 787 OH TYR A 293 5.415 -5.300 9.436 1.00 0.00 O ATOM 0 H TYR A 293 -0.306 -8.740 6.949 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.630 -6.905 9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.097 -6.001 6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.471 -4.943 7.669 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.954 -4.366 9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.400 -6.906 6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.267 -4.118 10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.712 -6.691 7.298 1.00 0.00 H new ATOM 0 HH TYR A 293 6.028 -5.821 8.876 1.00 0.00 H new ATOM 797 N ASN A 294 -2.778 -8.259 7.761 1.00 0.00 N ATOM 798 CA ASN A 294 -4.178 -8.469 7.358 1.00 0.00 C ATOM 799 C ASN A 294 -5.220 -8.227 8.478 1.00 0.00 C ATOM 800 O ASN A 294 -6.344 -8.732 8.406 1.00 0.00 O ATOM 801 CB ASN A 294 -4.339 -9.845 6.688 1.00 0.00 C ATOM 802 CG ASN A 294 -4.346 -11.027 7.661 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.952 -10.930 8.819 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.807 -12.183 7.217 1.00 0.00 N ATOM 0 H ASN A 294 -2.310 -9.120 8.043 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.404 -7.693 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.270 -9.852 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.528 -9.984 5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.835 -12.993 7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.135 -12.266 6.255 1.00 0.00 H new ATOM 811 N ARG A 295 -4.844 -7.488 9.530 1.00 0.00 N ATOM 812 CA ARG A 295 -5.684 -7.176 10.693 1.00 0.00 C ATOM 813 C ARG A 295 -5.454 -5.754 11.194 1.00 0.00 C ATOM 814 O ARG A 295 -4.318 -5.302 11.332 1.00 0.00 O ATOM 815 CB ARG A 295 -5.365 -8.150 11.837 1.00 0.00 C ATOM 816 CG ARG A 295 -6.241 -9.405 11.823 1.00 0.00 C ATOM 817 CD ARG A 295 -5.783 -10.337 12.951 1.00 0.00 C ATOM 818 NE ARG A 295 -6.691 -11.484 13.114 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.592 -12.437 14.036 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.624 -12.445 14.931 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.478 -13.408 14.072 1.00 0.00 N ATOM 0 H ARG A 295 -3.913 -7.076 9.597 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.723 -7.272 10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.318 -8.445 11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.493 -7.636 12.790 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.289 -9.136 11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.162 -9.910 10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.776 -10.697 12.739 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.731 -9.779 13.886 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.469 -11.554 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.922 -11.705 14.930 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.577 -13.191 15.625 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.239 -13.429 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.404 -14.140 14.778 1.00 0.00 H new ATOM 835 N CYS A 296 -6.544 -5.104 11.589 1.00 0.00 N ATOM 836 CA CYS A 296 -6.581 -3.779 12.202 1.00 0.00 C ATOM 837 C CYS A 296 -5.870 -3.667 13.569 1.00 0.00 C ATOM 838 O CYS A 296 -5.560 -2.564 14.026 1.00 0.00 O ATOM 839 CB CYS A 296 -8.062 -3.433 12.343 1.00 0.00 C ATOM 840 SG CYS A 296 -8.672 -2.714 10.797 1.00 0.00 S ATOM 0 H CYS A 296 -7.475 -5.508 11.485 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.029 -3.086 11.567 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.633 -4.329 12.589 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.204 -2.729 13.163 1.00 0.00 H new ATOM 845 N ASP A 297 -5.588 -4.803 14.205 1.00 0.00 N ATOM 846 CA ASP A 297 -4.908 -4.897 15.497 1.00 0.00 C ATOM 847 C ASP A 297 -3.386 -5.043 15.313 1.00 0.00 C ATOM 848 O ASP A 297 -2.634 -5.120 16.286 1.00 0.00 O ATOM 849 CB ASP A 297 -5.549 -6.059 16.264 1.00 0.00 C ATOM 850 CG ASP A 297 -5.118 -6.127 17.739 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.372 -5.153 18.488 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.567 -7.174 18.157 1.00 0.00 O ATOM 0 H ASP A 297 -5.835 -5.715 13.822 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.030 -3.983 16.079 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.634 -5.964 16.214 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.288 -6.997 15.773 1.00 0.00 H new ATOM 857 N ILE A 298 -2.927 -5.052 14.056 1.00 0.00 N ATOM 858 CA ILE A 298 -1.516 -5.095 13.676 1.00 0.00 C ATOM 859 C ILE A 298 -1.047 -3.670 13.352 1.00 0.00 C ATOM 860 O ILE A 298 -1.712 -2.983 12.563 1.00 0.00 O ATOM 861 CB ILE A 298 -1.265 -6.047 12.487 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.825 -7.444 12.824 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.239 -6.116 12.185 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.600 -8.507 11.743 1.00 0.00 C ATOM 0 H ILE A 298 -3.552 -5.029 13.250 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.940 -5.491 14.512 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.774 -5.672 11.599 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.369 -7.788 13.752 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.896 -7.355 13.009 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.411 -6.789 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.606 -5.121 11.933 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.770 -6.487 13.062 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.028 -9.455 12.070 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.081 -8.192 10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.531 -8.631 11.572 1.00 0.00 H new ATOM 876 N PRO A 299 0.093 -3.235 13.915 1.00 0.00 N ATOM 877 CA PRO A 299 0.639 -1.899 13.722 1.00 0.00 C ATOM 878 C PRO A 299 1.020 -1.628 12.263 1.00 0.00 C ATOM 879 O PRO A 299 1.204 -2.546 11.466 1.00 0.00 O ATOM 880 CB PRO A 299 1.855 -1.831 14.650 1.00 0.00 C ATOM 881 CG PRO A 299 2.295 -3.281 14.821 1.00 0.00 C ATOM 882 CD PRO A 299 0.972 -4.032 14.759 1.00 0.00 C ATOM 0 HA PRO A 299 -0.098 -1.131 13.958 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.650 -1.225 14.216 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.597 -1.380 15.608 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.978 -3.594 14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.809 -3.441 15.769 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.110 -5.031 14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.548 -4.156 15.755 1.00 0.00 H new ATOM 890 N GLU A 300 1.146 -0.345 11.919 1.00 0.00 N ATOM 891 CA GLU A 300 1.653 0.111 10.623 1.00 0.00 C ATOM 892 C GLU A 300 3.145 -0.270 10.462 1.00 0.00 C ATOM 893 O GLU A 300 3.901 -0.355 11.436 1.00 0.00 O ATOM 894 CB GLU A 300 1.381 1.626 10.514 1.00 0.00 C ATOM 895 CG GLU A 300 0.885 2.091 9.141 1.00 0.00 C ATOM 896 CD GLU A 300 2.004 2.216 8.100 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.333 1.189 7.467 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.527 3.339 7.909 1.00 0.00 O ATOM 0 H GLU A 300 0.894 0.420 12.545 1.00 0.00 H new ATOM 0 HA GLU A 300 1.140 -0.382 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.642 1.903 11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.298 2.164 10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.136 1.388 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.390 3.056 9.249 1.00 0.00 H new ATOM 905 N GLU A 301 3.563 -0.544 9.227 1.00 0.00 N ATOM 906 CA GLU A 301 4.859 -1.119 8.861 1.00 0.00 C ATOM 907 C GLU A 301 5.958 -0.042 8.756 1.00 0.00 C ATOM 908 O GLU A 301 5.693 1.114 8.412 1.00 0.00 O ATOM 909 CB GLU A 301 4.668 -1.872 7.531 1.00 0.00 C ATOM 910 CG GLU A 301 5.920 -2.598 7.023 1.00 0.00 C ATOM 911 CD GLU A 301 5.628 -3.469 5.793 1.00 0.00 C ATOM 912 OE1 GLU A 301 4.775 -3.096 4.957 1.00 0.00 O ATOM 913 OE2 GLU A 301 6.292 -4.515 5.614 1.00 0.00 O ATOM 0 H GLU A 301 2.977 -0.362 8.412 1.00 0.00 H new ATOM 0 HA GLU A 301 5.197 -1.805 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.866 -2.600 7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 301 4.342 -1.163 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 301 6.686 -1.865 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 301 6.324 -3.222 7.820 1.00 0.00 H new ATOM 920 N THR A 302 7.214 -0.427 9.026 1.00 0.00 N ATOM 921 CA THR A 302 8.395 0.426 8.814 1.00 0.00 C ATOM 922 C THR A 302 8.782 0.411 7.336 1.00 0.00 C ATOM 923 O THR A 302 9.067 -0.650 6.777 1.00 0.00 O ATOM 924 CB THR A 302 9.569 -0.029 9.691 1.00 0.00 C ATOM 925 OG1 THR A 302 9.144 -0.060 11.038 1.00 0.00 O ATOM 926 CG2 THR A 302 10.752 0.940 9.594 1.00 0.00 C ATOM 0 H THR A 302 7.442 -1.348 9.401 1.00 0.00 H new ATOM 0 HA THR A 302 8.146 1.447 9.104 1.00 0.00 H new ATOM 0 HB THR A 302 9.888 -1.012 9.346 1.00 0.00 H new ATOM 0 HG1 THR A 302 9.886 -0.351 11.608 1.00 0.00 H new ATOM 0 HG21 THR A 302 11.565 0.586 10.228 1.00 0.00 H new ATOM 0 HG22 THR A 302 11.095 0.994 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 302 10.439 1.930 9.924 1.00 0.00 H new ATOM 934 N TRP A 303 8.833 1.591 6.717 1.00 0.00 N ATOM 935 CA TRP A 303 9.233 1.801 5.319 1.00 0.00 C ATOM 936 C TRP A 303 10.093 3.071 5.179 1.00 0.00 C ATOM 937 O TRP A 303 9.877 4.064 5.882 1.00 0.00 O ATOM 938 CB TRP A 303 7.988 1.839 4.412 1.00 0.00 C ATOM 939 CG TRP A 303 7.050 2.991 4.630 1.00 0.00 C ATOM 940 CD1 TRP A 303 6.013 2.998 5.496 1.00 0.00 C ATOM 941 CD2 TRP A 303 7.051 4.316 4.009 1.00 0.00 C ATOM 942 NE1 TRP A 303 5.390 4.229 5.478 1.00 0.00 N ATOM 943 CE2 TRP A 303 6.000 5.091 4.590 1.00 0.00 C ATOM 944 CE3 TRP A 303 7.842 4.951 3.024 1.00 0.00 C ATOM 945 CZ2 TRP A 303 5.765 6.428 4.234 1.00 0.00 C ATOM 946 CZ3 TRP A 303 7.603 6.287 2.647 1.00 0.00 C ATOM 947 CH2 TRP A 303 6.572 7.028 3.252 1.00 0.00 C ATOM 0 H TRP A 303 8.588 2.461 7.190 1.00 0.00 H new ATOM 0 HA TRP A 303 9.852 0.964 4.997 1.00 0.00 H new ATOM 0 HB2 TRP A 303 8.320 1.858 3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 303 7.432 0.912 4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 303 5.715 2.162 6.112 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.580 4.471 6.049 1.00 0.00 H new ATOM 0 HE3 TRP A 303 8.644 4.402 2.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.974 6.989 4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 8.217 6.746 1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 303 6.401 8.054 2.963 1.00 0.00 H new ATOM 958 N THR A 304 11.085 3.022 4.279 1.00 0.00 N ATOM 959 CA THR A 304 12.153 4.036 4.134 1.00 0.00 C ATOM 960 C THR A 304 12.455 4.423 2.683 1.00 0.00 C ATOM 961 O THR A 304 13.287 5.303 2.455 1.00 0.00 O ATOM 962 CB THR A 304 13.437 3.551 4.828 1.00 0.00 C ATOM 963 OG1 THR A 304 13.792 2.288 4.302 1.00 0.00 O ATOM 964 CG2 THR A 304 13.272 3.418 6.345 1.00 0.00 C ATOM 0 H THR A 304 11.174 2.257 3.610 1.00 0.00 H new ATOM 0 HA THR A 304 11.778 4.940 4.615 1.00 0.00 H new ATOM 0 HB THR A 304 14.211 4.295 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 304 14.611 1.971 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 304 14.208 3.073 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 304 13.008 4.387 6.769 1.00 0.00 H new ATOM 0 HG23 THR A 304 12.482 2.700 6.563 1.00 0.00 H new ATOM 972 N GLY A 305 11.779 3.815 1.700 1.00 0.00 N ATOM 973 CA GLY A 305 11.958 4.113 0.273 1.00 0.00 C ATOM 974 C GLY A 305 11.308 5.444 -0.112 1.00 0.00 C ATOM 975 O GLY A 305 10.113 5.640 0.117 1.00 0.00 O ATOM 0 H GLY A 305 11.082 3.091 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 305 13.022 4.146 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 305 11.525 3.310 -0.324 1.00 0.00 H new ATOM 979 N LEU A 306 12.096 6.338 -0.717 1.00 0.00 N ATOM 980 CA LEU A 306 11.716 7.699 -1.114 1.00 0.00 C ATOM 981 C LEU A 306 12.722 8.233 -2.150 1.00 0.00 C ATOM 982 O LEU A 306 13.921 7.950 -2.061 1.00 0.00 O ATOM 983 CB LEU A 306 11.648 8.586 0.152 1.00 0.00 C ATOM 984 CG LEU A 306 11.209 10.048 -0.077 1.00 0.00 C ATOM 985 CD1 LEU A 306 9.791 10.146 -0.663 1.00 0.00 C ATOM 986 CD2 LEU A 306 11.258 10.810 1.255 1.00 0.00 C ATOM 0 H LEU A 306 13.064 6.122 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 306 10.733 7.707 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 306 10.958 8.125 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 306 12.631 8.591 0.623 1.00 0.00 H new ATOM 0 HG LEU A 306 11.898 10.488 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 306 9.528 11.194 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 306 9.757 9.629 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 306 9.081 9.684 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 306 10.948 11.843 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 306 10.586 10.336 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 306 12.275 10.793 1.647 1.00 0.00 H new ATOM 998 N GLU A 307 12.234 9.003 -3.128 1.00 0.00 N ATOM 999 CA GLU A 307 13.013 9.571 -4.248 1.00 0.00 C ATOM 1000 C GLU A 307 13.135 11.108 -4.155 1.00 0.00 C ATOM 1001 O GLU A 307 14.277 11.606 -4.030 1.00 0.00 O ATOM 1002 CB GLU A 307 12.375 9.113 -5.574 1.00 0.00 C ATOM 1003 CG GLU A 307 13.201 9.452 -6.827 1.00 0.00 C ATOM 1004 CD GLU A 307 14.495 8.611 -6.939 1.00 0.00 C ATOM 1005 OE1 GLU A 307 14.418 7.408 -7.292 1.00 0.00 O ATOM 1006 OE2 GLU A 307 15.607 9.150 -6.709 1.00 0.00 O ATOM 1007 OXT GLU A 307 12.094 11.805 -4.174 1.00 0.00 O ATOM 0 H GLU A 307 11.248 9.261 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 307 14.036 9.199 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 307 12.221 8.035 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 307 11.391 9.572 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 307 12.590 9.289 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 307 13.462 10.510 -6.809 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.363 4.707 1.293 1.00 0.00 N ATOM 1016 CA ALA B 1 -11.013 4.088 1.292 1.00 0.00 C ATOM 1017 C ALA B 1 -10.054 4.943 0.460 1.00 0.00 C ATOM 1018 O ALA B 1 -10.256 5.080 -0.749 1.00 0.00 O ATOM 1019 CB ALA B 1 -11.056 2.641 0.760 1.00 0.00 C ATOM 0 H1 ALA B 1 -13.087 3.962 1.246 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.491 5.259 2.165 1.00 0.00 H new ATOM 0 H3 ALA B 1 -12.458 5.334 0.469 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.654 4.045 2.320 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.051 2.219 0.773 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.710 2.040 1.392 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.437 2.640 -0.261 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.029 5.545 1.083 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.031 6.354 0.362 1.00 0.00 C ATOM 1029 C ARG B 2 -6.987 5.466 -0.317 1.00 0.00 C ATOM 1030 O ARG B 2 -6.672 4.374 0.166 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.346 7.369 1.294 1.00 0.00 C ATOM 1032 CG ARG B 2 -6.947 8.663 0.561 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.457 9.752 1.524 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.569 10.342 2.294 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.481 11.337 3.170 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.335 11.917 3.457 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.568 11.774 3.771 1.00 0.00 N ATOM 0 H ARG B 2 -8.868 5.487 2.089 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.564 6.911 -0.409 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.018 7.613 2.117 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.458 6.914 1.732 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.162 8.441 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.802 9.037 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.724 9.328 2.210 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.950 10.535 0.960 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.496 9.947 2.138 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.477 11.605 3.001 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.304 12.679 4.135 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.472 11.349 3.563 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.506 12.538 4.444 1.00 0.00 H new ATOM 1051 N THR B 3 -6.417 5.978 -1.404 1.00 0.00 N ATOM 1052 CA THR B 3 -5.394 5.325 -2.230 1.00 0.00 C ATOM 1053 C THR B 3 -4.335 6.331 -2.635 1.00 0.00 C ATOM 1054 O THR B 3 -4.646 7.456 -3.028 1.00 0.00 O ATOM 1055 CB THR B 3 -6.001 4.672 -3.481 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.990 5.498 -4.059 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.625 3.322 -3.136 1.00 0.00 C ATOM 0 H THR B 3 -6.665 6.904 -1.754 1.00 0.00 H new ATOM 0 HA THR B 3 -4.940 4.536 -1.631 1.00 0.00 H new ATOM 0 HB THR B 3 -5.191 4.529 -4.197 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.359 5.060 -4.854 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.049 2.877 -4.036 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.860 2.661 -2.730 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.412 3.464 -2.396 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.084 5.888 -2.559 1.00 0.00 N HETATM 1066 CA M3L B 4 -1.894 6.606 -3.042 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.229 7.375 -1.872 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.385 6.472 -0.957 1.00 0.00 C HETATM 1069 CD M3L B 4 0.312 7.213 0.187 1.00 0.00 C HETATM 1070 CE M3L B 4 1.353 6.244 0.793 1.00 0.00 C HETATM 1071 NZ M3L B 4 2.059 6.723 1.995 1.00 0.00 N HETATM 1072 C M3L B 4 -0.913 5.662 -3.753 1.00 0.00 C HETATM 1073 O M3L B 4 -1.098 4.445 -3.789 1.00 0.00 O HETATM 1074 CM1 M3L B 4 1.139 7.045 3.082 1.00 0.00 C HETATM 1075 CM2 M3L B 4 2.879 7.898 1.708 1.00 0.00 C HETATM 1076 CM3 M3L B 4 2.927 5.643 2.458 1.00 0.00 C HETATM 0 HM33 M3L B 4 2.323 4.768 2.696 1.00 0.00 H new HETATM 0 HM32 M3L B 4 3.641 5.389 1.675 1.00 0.00 H new HETATM 0 HM31 M3L B 4 3.466 5.966 3.349 1.00 0.00 H new HETATM 0 HM23 M3L B 4 3.622 7.647 0.951 1.00 0.00 H new HETATM 0 HM22 M3L B 4 2.244 8.704 1.340 1.00 0.00 H new HETATM 0 HM21 M3L B 4 3.383 8.221 2.619 1.00 0.00 H new HETATM 0 HM13 M3L B 4 0.453 7.827 2.758 1.00 0.00 H new HETATM 0 HM12 M3L B 4 0.572 6.155 3.354 1.00 0.00 H new HETATM 0 HM11 M3L B 4 1.705 7.393 3.946 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.027 5.699 -0.536 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.369 5.966 -1.560 1.00 0.00 H new HETATM 0 HE3 M3L B 4 0.849 5.309 1.040 1.00 0.00 H new HETATM 0 HE2 M3L B 4 2.094 6.014 0.028 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.797 8.118 -0.180 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.411 7.522 0.942 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.596 8.164 -2.278 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -2.003 7.861 -1.278 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.206 7.336 -3.789 1.00 0.00 H new ATOM 1096 N GLN B 5 0.176 6.242 -4.245 1.00 0.00 N ATOM 1097 CA GLN B 5 1.347 5.527 -4.743 1.00 0.00 C ATOM 1098 C GLN B 5 2.617 6.201 -4.202 1.00 0.00 C ATOM 1099 O GLN B 5 2.594 7.396 -3.886 1.00 0.00 O ATOM 1100 CB GLN B 5 1.359 5.504 -6.282 1.00 0.00 C ATOM 1101 CG GLN B 5 0.175 4.744 -6.900 1.00 0.00 C ATOM 1102 CD GLN B 5 0.275 4.693 -8.427 1.00 0.00 C ATOM 1103 OE1 GLN B 5 0.062 5.678 -9.125 1.00 0.00 O ATOM 1104 NE2 GLN B 5 0.598 3.555 -9.012 1.00 0.00 N ATOM 0 H GLN B 5 0.272 7.255 -4.311 1.00 0.00 H new ATOM 0 HA GLN B 5 1.311 4.494 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.353 6.529 -6.651 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.289 5.048 -6.622 1.00 0.00 H new ATOM 0 HG2 GLN B 5 0.145 3.730 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -0.759 5.227 -6.612 1.00 0.00 H new ATOM 0 HE21 GLN B 5 0.779 2.725 -8.448 1.00 0.00 H new ATOM 0 HE22 GLN B 5 0.667 3.506 -10.028 1.00 0.00 H new ATOM 1113 N THR B 6 3.728 5.455 -4.129 1.00 0.00 N ATOM 1114 CA THR B 6 5.060 6.012 -3.837 1.00 0.00 C ATOM 1115 C THR B 6 6.114 5.481 -4.800 1.00 0.00 C ATOM 1116 O THR B 6 5.957 4.417 -5.405 1.00 0.00 O ATOM 1117 CB THR B 6 5.465 5.836 -2.371 1.00 0.00 C ATOM 1118 OG1 THR B 6 6.506 6.747 -2.094 1.00 0.00 O ATOM 1119 CG2 THR B 6 5.947 4.427 -2.033 1.00 0.00 C ATOM 0 H THR B 6 3.730 4.445 -4.271 1.00 0.00 H new ATOM 0 HA THR B 6 4.993 7.088 -3.999 1.00 0.00 H new ATOM 0 HB THR B 6 4.578 6.018 -1.764 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.782 6.654 -1.158 1.00 0.00 H new ATOM 0 HG21 THR B 6 6.216 4.378 -0.978 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.151 3.711 -2.238 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.818 4.185 -2.642 1.00 0.00 H new ATOM 1127 N ALA B 7 7.191 6.250 -4.924 1.00 0.00 N ATOM 1128 CA ALA B 7 8.317 5.988 -5.814 1.00 0.00 C ATOM 1129 C ALA B 7 9.306 5.008 -5.159 1.00 0.00 C ATOM 1130 O ALA B 7 10.088 5.384 -4.278 1.00 0.00 O ATOM 1131 CB ALA B 7 8.962 7.332 -6.187 1.00 0.00 C ATOM 0 H ALA B 7 7.308 7.108 -4.385 1.00 0.00 H new ATOM 0 HA ALA B 7 7.981 5.505 -6.732 1.00 0.00 H new ATOM 0 HB1 ALA B 7 9.807 7.158 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA B 7 8.227 7.961 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA B 7 9.310 7.832 -5.283 1.00 0.00 H new ATOM 1137 N ARG B 8 9.269 3.744 -5.594 1.00 0.00 N ATOM 1138 CA ARG B 8 10.130 2.674 -5.080 1.00 0.00 C ATOM 1139 C ARG B 8 11.568 2.793 -5.595 1.00 0.00 C ATOM 1140 O ARG B 8 11.804 2.967 -6.793 1.00 0.00 O ATOM 1141 CB ARG B 8 9.546 1.294 -5.454 1.00 0.00 C ATOM 1142 CG ARG B 8 8.929 0.569 -4.249 1.00 0.00 C ATOM 1143 CD ARG B 8 9.916 0.139 -3.150 1.00 0.00 C ATOM 1144 NE ARG B 8 11.048 -0.647 -3.675 1.00 0.00 N ATOM 1145 CZ ARG B 8 11.100 -1.957 -3.887 1.00 0.00 C ATOM 1146 NH1 ARG B 8 10.085 -2.758 -3.639 1.00 0.00 N ATOM 1147 NH2 ARG B 8 12.210 -2.472 -4.367 1.00 0.00 N ATOM 0 H ARG B 8 8.630 3.431 -6.325 1.00 0.00 H new ATOM 0 HA ARG B 8 10.161 2.775 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.786 1.422 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG B 8 10.334 0.674 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.178 1.221 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG B 8 8.408 -0.317 -4.610 1.00 0.00 H new ATOM 0 HD2 ARG B 8 10.299 1.026 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.386 -0.451 -2.402 1.00 0.00 H new ATOM 0 HE ARG B 8 11.892 -0.122 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG B 8 9.214 -2.378 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG B 8 10.170 -3.759 -3.817 1.00 0.00 H new ATOM 0 HH21 ARG B 8 13.007 -1.868 -4.568 1.00 0.00 H new ATOM 0 HH22 ARG B 8 12.274 -3.475 -4.538 1.00 0.00 H new ATOM 1161 N LYS B 9 12.530 2.627 -4.684 1.00 0.00 N ATOM 1162 CA LYS B 9 13.956 2.471 -5.015 1.00 0.00 C ATOM 1163 C LYS B 9 14.303 0.992 -5.288 1.00 0.00 C ATOM 1164 O LYS B 9 13.601 0.095 -4.806 1.00 0.00 O ATOM 1165 CB LYS B 9 14.817 3.149 -3.926 1.00 0.00 C ATOM 1166 CG LYS B 9 14.858 2.489 -2.531 1.00 0.00 C ATOM 1167 CD LYS B 9 15.874 1.339 -2.437 1.00 0.00 C ATOM 1168 CE LYS B 9 16.060 0.867 -0.990 1.00 0.00 C ATOM 1169 NZ LYS B 9 17.054 -0.236 -0.914 1.00 0.00 N ATOM 0 H LYS B 9 12.342 2.596 -3.682 1.00 0.00 H new ATOM 0 HA LYS B 9 14.187 2.984 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.840 3.212 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS B 9 14.459 4.171 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS B 9 15.104 3.245 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.866 2.110 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS B 9 15.538 0.504 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS B 9 16.833 1.666 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS B 9 16.389 1.701 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.105 0.529 -0.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 17.162 -0.538 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.726 -1.039 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 17.970 0.097 -1.277 1.00 0.00 H new ATOM 1183 N SER B 10 15.374 0.730 -6.046 1.00 0.00 N ATOM 1184 CA SER B 10 15.822 -0.629 -6.428 1.00 0.00 C ATOM 1185 C SER B 10 16.314 -1.460 -5.235 1.00 0.00 C ATOM 1186 O SER B 10 15.737 -2.544 -4.997 1.00 0.00 O ATOM 1187 CB SER B 10 16.909 -0.549 -7.502 1.00 0.00 C ATOM 1188 OG SER B 10 16.389 0.135 -8.635 1.00 0.00 O ATOM 1189 OXT SER B 10 17.262 -1.026 -4.542 1.00 0.00 O ATOM 0 H SER B 10 15.971 1.467 -6.422 1.00 0.00 H new ATOM 0 HA SER B 10 14.948 -1.143 -6.828 1.00 0.00 H new ATOM 0 HB2 SER B 10 17.783 -0.026 -7.115 1.00 0.00 H new ATOM 0 HB3 SER B 10 17.235 -1.550 -7.783 1.00 0.00 H new ATOM 0 HG SER B 10 17.080 0.192 -9.328 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.356 -1.249 9.759 1.00 0.00 ZN