USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 576 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 M3L H2 : B 4 M3L N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 M3L H : B 4 M3L N : B 3 THR C :(H bumps) USER MOD Set 1.1: A 284 SER OG : rot 180:sc= 0.461 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.05 X(o=1.5,f=1) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 GLN : amide:sc= -0.215 K(o=-0.21,f=-5!) USER MOD Single : A 253 CYS SG : rot 180:sc= 0 USER MOD Single : A 258 GLN : amide:sc= 0.758 K(o=0.76,f=-1.5) USER MOD Single : A 260 SER OG : rot -170:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0498 K(o=0.05,f=-1.2) USER MOD Single : A 266 LYS NZ :NH3+ 141:sc= 1.39 (180deg=0.113) USER MOD Single : A 271 CYS SG : rot 180:sc= 0 USER MOD Single : A 273 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.012) USER MOD Single : A 277 SER OG : rot -33:sc= 0.00797 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.46) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 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= -0.127 K(o=-0.13,f=-0.95) 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+ 149:sc= 1.11 (180deg=0.533) USER MOD Single : B 3 THR OG1 : rot -170:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.14 USER MOD Single : B 9 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.715) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 17.450 -22.955 8.085 1.00 0.00 N ATOM 2 CA GLY A 239 16.832 -22.063 7.079 1.00 0.00 C ATOM 3 C GLY A 239 17.857 -21.596 6.057 1.00 0.00 C ATOM 4 O GLY A 239 18.578 -22.411 5.484 1.00 0.00 O ATOM 0 HA2 GLY A 239 16.022 -22.588 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 239 16.391 -21.199 7.577 1.00 0.00 H new ATOM 10 N SER A 240 17.948 -20.286 5.824 1.00 0.00 N ATOM 11 CA SER A 240 18.881 -19.653 4.874 1.00 0.00 C ATOM 12 C SER A 240 19.060 -18.152 5.186 1.00 0.00 C ATOM 13 O SER A 240 18.258 -17.551 5.906 1.00 0.00 O ATOM 14 CB SER A 240 18.392 -19.861 3.429 1.00 0.00 C ATOM 15 OG SER A 240 19.356 -19.413 2.481 1.00 0.00 O ATOM 0 H SER A 240 17.357 -19.608 6.305 1.00 0.00 H new ATOM 0 HA SER A 240 19.855 -20.129 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 240 18.182 -20.918 3.264 1.00 0.00 H new ATOM 0 HB3 SER A 240 17.456 -19.323 3.280 1.00 0.00 H new ATOM 0 HG SER A 240 19.016 -19.561 1.574 1.00 0.00 H new ATOM 21 N SER A 241 20.112 -17.536 4.639 1.00 0.00 N ATOM 22 CA SER A 241 20.468 -16.115 4.833 1.00 0.00 C ATOM 23 C SER A 241 20.506 -15.319 3.508 1.00 0.00 C ATOM 24 O SER A 241 21.028 -14.199 3.465 1.00 0.00 O ATOM 25 CB SER A 241 21.818 -16.012 5.569 1.00 0.00 C ATOM 26 OG SER A 241 21.790 -16.659 6.837 1.00 0.00 O ATOM 0 H SER A 241 20.766 -18.024 4.027 1.00 0.00 H new ATOM 0 HA SER A 241 19.684 -15.663 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 241 22.600 -16.456 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 241 22.077 -14.962 5.704 1.00 0.00 H new ATOM 0 HG SER A 241 22.666 -16.571 7.268 1.00 0.00 H new ATOM 32 N GLY A 242 19.964 -15.881 2.417 1.00 0.00 N ATOM 33 CA GLY A 242 19.943 -15.255 1.087 1.00 0.00 C ATOM 34 C GLY A 242 19.077 -13.992 1.053 1.00 0.00 C ATOM 35 O GLY A 242 17.947 -13.983 1.544 1.00 0.00 O ATOM 0 H GLY A 242 19.520 -16.799 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.961 -15.003 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.566 -15.971 0.357 1.00 0.00 H new ATOM 39 N SER A 243 19.608 -12.926 0.459 1.00 0.00 N ATOM 40 CA SER A 243 18.990 -11.595 0.385 1.00 0.00 C ATOM 41 C SER A 243 18.355 -11.302 -0.992 1.00 0.00 C ATOM 42 O SER A 243 18.460 -12.093 -1.935 1.00 0.00 O ATOM 43 CB SER A 243 20.057 -10.542 0.743 1.00 0.00 C ATOM 44 OG SER A 243 21.183 -10.611 -0.128 1.00 0.00 O ATOM 0 H SER A 243 20.516 -12.962 -0.004 1.00 0.00 H new ATOM 0 HA SER A 243 18.167 -11.556 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 243 19.617 -9.546 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 243 20.384 -10.691 1.772 1.00 0.00 H new ATOM 0 HG SER A 243 21.837 -9.928 0.128 1.00 0.00 H new ATOM 50 N SER A 244 17.693 -10.148 -1.133 1.00 0.00 N ATOM 51 CA SER A 244 17.098 -9.678 -2.392 1.00 0.00 C ATOM 52 C SER A 244 17.109 -8.140 -2.445 1.00 0.00 C ATOM 53 O SER A 244 16.613 -7.474 -1.529 1.00 0.00 O ATOM 54 CB SER A 244 15.671 -10.230 -2.535 1.00 0.00 C ATOM 55 OG SER A 244 15.134 -9.924 -3.816 1.00 0.00 O ATOM 0 H SER A 244 17.552 -9.499 -0.358 1.00 0.00 H new ATOM 0 HA SER A 244 17.691 -10.046 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 244 15.678 -11.310 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 244 15.034 -9.807 -1.759 1.00 0.00 H new ATOM 0 HG SER A 244 14.226 -10.286 -3.885 1.00 0.00 H new ATOM 61 N GLY A 245 17.712 -7.577 -3.500 1.00 0.00 N ATOM 62 CA GLY A 245 17.835 -6.133 -3.743 1.00 0.00 C ATOM 63 C GLY A 245 17.503 -5.755 -5.187 1.00 0.00 C ATOM 64 O GLY A 245 17.664 -6.563 -6.104 1.00 0.00 O ATOM 0 H GLY A 245 18.144 -8.136 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 245 17.170 -5.596 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 245 18.851 -5.813 -3.511 1.00 0.00 H new ATOM 68 N GLU A 246 17.075 -4.508 -5.395 1.00 0.00 N ATOM 69 CA GLU A 246 16.717 -3.972 -6.714 1.00 0.00 C ATOM 70 C GLU A 246 17.970 -3.436 -7.427 1.00 0.00 C ATOM 71 O GLU A 246 18.223 -2.229 -7.460 1.00 0.00 O ATOM 72 CB GLU A 246 15.615 -2.904 -6.580 1.00 0.00 C ATOM 73 CG GLU A 246 14.295 -3.430 -5.997 1.00 0.00 C ATOM 74 CD GLU A 246 13.682 -4.562 -6.837 1.00 0.00 C ATOM 75 OE1 GLU A 246 13.327 -4.325 -8.014 1.00 0.00 O ATOM 76 OE2 GLU A 246 13.540 -5.694 -6.317 1.00 0.00 O ATOM 0 H GLU A 246 16.965 -3.830 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 246 16.311 -4.773 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 246 15.983 -2.097 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 246 15.420 -2.475 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 246 14.469 -3.790 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 246 13.582 -2.609 -5.926 1.00 0.00 H new ATOM 83 N ILE A 247 18.779 -4.350 -7.979 1.00 0.00 N ATOM 84 CA ILE A 247 20.068 -4.054 -8.633 1.00 0.00 C ATOM 85 C ILE A 247 19.843 -3.233 -9.913 1.00 0.00 C ATOM 86 O ILE A 247 19.450 -3.768 -10.949 1.00 0.00 O ATOM 87 CB ILE A 247 20.860 -5.360 -8.916 1.00 0.00 C ATOM 88 CG1 ILE A 247 21.014 -6.290 -7.688 1.00 0.00 C ATOM 89 CG2 ILE A 247 22.249 -5.032 -9.501 1.00 0.00 C ATOM 90 CD1 ILE A 247 21.656 -5.658 -6.445 1.00 0.00 C ATOM 0 H ILE A 247 18.552 -5.344 -7.985 1.00 0.00 H new ATOM 0 HA ILE A 247 20.673 -3.452 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 247 20.263 -5.911 -9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 247 20.028 -6.664 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 247 21.611 -7.153 -7.983 1.00 0.00 H new ATOM 0 HG21 ILE A 247 22.791 -5.958 -9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 247 22.130 -4.481 -10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 247 22.809 -4.425 -8.790 1.00 0.00 H new ATOM 0 HD11 ILE A 247 21.713 -6.400 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 247 22.660 -5.311 -6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 247 21.052 -4.814 -6.113 1.00 0.00 H new ATOM 102 N SER A 248 20.061 -1.918 -9.827 1.00 0.00 N ATOM 103 CA SER A 248 19.854 -0.934 -10.912 1.00 0.00 C ATOM 104 C SER A 248 18.370 -0.769 -11.333 1.00 0.00 C ATOM 105 O SER A 248 18.062 -0.107 -12.330 1.00 0.00 O ATOM 106 CB SER A 248 20.775 -1.259 -12.105 1.00 0.00 C ATOM 107 OG SER A 248 21.163 -0.082 -12.807 1.00 0.00 O ATOM 0 H SER A 248 20.400 -1.485 -8.968 1.00 0.00 H new ATOM 0 HA SER A 248 20.132 0.043 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 248 21.664 -1.779 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 248 20.262 -1.937 -12.787 1.00 0.00 H new ATOM 0 HG SER A 248 21.747 -0.325 -13.555 1.00 0.00 H new ATOM 113 N GLY A 249 17.430 -1.361 -10.581 1.00 0.00 N ATOM 114 CA GLY A 249 15.991 -1.367 -10.873 1.00 0.00 C ATOM 115 C GLY A 249 15.254 -0.194 -10.227 1.00 0.00 C ATOM 116 O GLY A 249 15.513 0.144 -9.071 1.00 0.00 O ATOM 0 H GLY A 249 17.660 -1.865 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 249 15.843 -1.334 -11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 249 15.557 -2.302 -10.520 1.00 0.00 H new ATOM 120 N PHE A 250 14.305 0.395 -10.960 1.00 0.00 N ATOM 121 CA PHE A 250 13.482 1.534 -10.550 1.00 0.00 C ATOM 122 C PHE A 250 12.157 1.592 -11.337 1.00 0.00 C ATOM 123 O PHE A 250 12.001 0.918 -12.359 1.00 0.00 O ATOM 124 CB PHE A 250 14.299 2.826 -10.724 1.00 0.00 C ATOM 125 CG PHE A 250 14.601 3.214 -12.162 1.00 0.00 C ATOM 126 CD1 PHE A 250 15.757 2.724 -12.800 1.00 0.00 C ATOM 127 CD2 PHE A 250 13.728 4.069 -12.865 1.00 0.00 C ATOM 128 CE1 PHE A 250 16.033 3.076 -14.133 1.00 0.00 C ATOM 129 CE2 PHE A 250 14.006 4.421 -14.199 1.00 0.00 C ATOM 130 CZ PHE A 250 15.158 3.925 -14.833 1.00 0.00 C ATOM 0 H PHE A 250 14.080 0.074 -11.902 1.00 0.00 H new ATOM 0 HA PHE A 250 13.210 1.419 -9.501 1.00 0.00 H new ATOM 0 HB2 PHE A 250 13.758 3.645 -10.250 1.00 0.00 H new ATOM 0 HB3 PHE A 250 15.242 2.715 -10.189 1.00 0.00 H new ATOM 0 HD1 PHE A 250 16.434 2.076 -12.263 1.00 0.00 H new ATOM 0 HD2 PHE A 250 12.844 4.455 -12.379 1.00 0.00 H new ATOM 0 HE1 PHE A 250 16.918 2.694 -14.620 1.00 0.00 H new ATOM 0 HE2 PHE A 250 13.333 5.073 -14.736 1.00 0.00 H new ATOM 0 HZ PHE A 250 15.371 4.196 -15.857 1.00 0.00 H new ATOM 140 N GLY A 251 11.203 2.410 -10.870 1.00 0.00 N ATOM 141 CA GLY A 251 9.936 2.682 -11.571 1.00 0.00 C ATOM 142 C GLY A 251 8.820 1.657 -11.324 1.00 0.00 C ATOM 143 O GLY A 251 7.853 1.625 -12.085 1.00 0.00 O ATOM 0 H GLY A 251 11.289 2.908 -9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 251 9.577 3.666 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 251 10.134 2.729 -12.642 1.00 0.00 H new ATOM 147 N GLN A 252 8.941 0.820 -10.289 1.00 0.00 N ATOM 148 CA GLN A 252 7.930 -0.169 -9.895 1.00 0.00 C ATOM 149 C GLN A 252 6.628 0.521 -9.444 1.00 0.00 C ATOM 150 O GLN A 252 6.658 1.572 -8.798 1.00 0.00 O ATOM 151 CB GLN A 252 8.468 -1.068 -8.761 1.00 0.00 C ATOM 152 CG GLN A 252 9.583 -2.048 -9.181 1.00 0.00 C ATOM 153 CD GLN A 252 10.904 -1.378 -9.569 1.00 0.00 C ATOM 154 OE1 GLN A 252 11.306 -0.356 -9.024 1.00 0.00 O ATOM 155 NE2 GLN A 252 11.608 -1.890 -10.557 1.00 0.00 N ATOM 0 H GLN A 252 9.764 0.810 -9.687 1.00 0.00 H new ATOM 0 HA GLN A 252 7.710 -0.787 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 252 8.846 -0.431 -7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 252 7.638 -1.641 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 252 9.769 -2.741 -8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 252 9.229 -2.641 -10.024 1.00 0.00 H new ATOM 0 HE21 GLN A 252 11.290 -2.740 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 252 12.471 -1.437 -10.856 1.00 0.00 H new ATOM 164 N CYS A 253 5.472 -0.082 -9.757 1.00 0.00 N ATOM 165 CA CYS A 253 4.149 0.454 -9.416 1.00 0.00 C ATOM 166 C CYS A 253 3.788 0.161 -7.945 1.00 0.00 C ATOM 167 O CYS A 253 3.001 -0.738 -7.633 1.00 0.00 O ATOM 168 CB CYS A 253 3.125 -0.081 -10.434 1.00 0.00 C ATOM 169 SG CYS A 253 1.588 0.881 -10.308 1.00 0.00 S ATOM 0 H CYS A 253 5.431 -0.968 -10.261 1.00 0.00 H new ATOM 0 HA CYS A 253 4.146 1.542 -9.488 1.00 0.00 H new ATOM 0 HB2 CYS A 253 3.529 -0.011 -11.444 1.00 0.00 H new ATOM 0 HB3 CYS A 253 2.924 -1.135 -10.244 1.00 0.00 H new ATOM 0 HG CYS A 253 0.723 0.432 -11.168 1.00 0.00 H new ATOM 175 N LEU A 254 4.398 0.903 -7.017 1.00 0.00 N ATOM 176 CA LEU A 254 4.207 0.725 -5.577 1.00 0.00 C ATOM 177 C LEU A 254 2.927 1.441 -5.106 1.00 0.00 C ATOM 178 O LEU A 254 2.934 2.643 -4.838 1.00 0.00 O ATOM 179 CB LEU A 254 5.491 1.164 -4.845 1.00 0.00 C ATOM 180 CG LEU A 254 5.411 1.069 -3.311 1.00 0.00 C ATOM 181 CD1 LEU A 254 4.948 -0.302 -2.815 1.00 0.00 C ATOM 182 CD2 LEU A 254 6.781 1.350 -2.683 1.00 0.00 C ATOM 0 H LEU A 254 5.047 1.655 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 254 4.047 -0.325 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 254 6.321 0.549 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 254 5.719 2.193 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 254 4.675 1.815 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 254 4.913 -0.302 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 254 3.955 -0.515 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.646 -1.067 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 254 6.705 1.279 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 254 7.504 0.619 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 254 7.109 2.352 -2.959 1.00 0.00 H new ATOM 194 N VAL A 255 1.836 0.677 -5.006 1.00 0.00 N ATOM 195 CA VAL A 255 0.508 1.122 -4.539 1.00 0.00 C ATOM 196 C VAL A 255 0.358 0.855 -3.035 1.00 0.00 C ATOM 197 O VAL A 255 0.708 -0.224 -2.548 1.00 0.00 O ATOM 198 CB VAL A 255 -0.641 0.422 -5.312 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.031 0.946 -4.903 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.504 0.595 -6.835 1.00 0.00 C ATOM 0 H VAL A 255 1.848 -0.311 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 255 0.437 2.193 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.556 -0.632 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.799 0.424 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.187 0.771 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.091 2.015 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.330 0.089 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.525 1.656 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.440 0.163 -7.167 1.00 0.00 H new ATOM 210 N TRP A 256 -0.221 1.824 -2.319 1.00 0.00 N ATOM 211 CA TRP A 256 -0.616 1.718 -0.910 1.00 0.00 C ATOM 212 C TRP A 256 -2.108 2.060 -0.723 1.00 0.00 C ATOM 213 O TRP A 256 -2.675 2.866 -1.465 1.00 0.00 O ATOM 214 CB TRP A 256 0.247 2.652 -0.049 1.00 0.00 C ATOM 215 CG TRP A 256 1.696 2.322 0.117 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.668 2.588 -0.783 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.366 1.703 1.260 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.889 2.193 -0.273 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.763 1.630 0.976 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.941 1.194 2.507 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.688 1.063 1.865 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.851 0.561 3.374 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.222 0.499 3.063 1.00 0.00 C ATOM 0 H TRP A 256 -0.436 2.737 -2.719 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.460 0.687 -0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.180 3.653 -0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.200 2.697 0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.514 3.040 -1.752 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.777 2.305 -0.763 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.906 1.292 2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.742 1.060 1.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.492 0.117 4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.912 0.020 3.742 1.00 0.00 H new ATOM 234 N VAL A 257 -2.721 1.469 0.304 1.00 0.00 N ATOM 235 CA VAL A 257 -4.165 1.547 0.616 1.00 0.00 C ATOM 236 C VAL A 257 -4.384 1.928 2.077 1.00 0.00 C ATOM 237 O VAL A 257 -3.768 1.327 2.954 1.00 0.00 O ATOM 238 CB VAL A 257 -4.880 0.195 0.373 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.374 0.078 -1.065 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.012 -1.031 0.707 1.00 0.00 C ATOM 0 H VAL A 257 -2.210 0.896 0.975 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.581 2.306 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.727 0.195 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -5.871 -0.882 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.077 0.884 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.527 0.149 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.578 -1.942 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.115 -1.022 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -3.726 -0.999 1.758 1.00 0.00 H new ATOM 250 N GLN A 258 -5.263 2.900 2.340 1.00 0.00 N ATOM 251 CA GLN A 258 -5.622 3.314 3.698 1.00 0.00 C ATOM 252 C GLN A 258 -6.907 2.621 4.170 1.00 0.00 C ATOM 253 O GLN A 258 -7.919 2.613 3.464 1.00 0.00 O ATOM 254 CB GLN A 258 -5.763 4.841 3.787 1.00 0.00 C ATOM 255 CG GLN A 258 -5.887 5.313 5.250 1.00 0.00 C ATOM 256 CD GLN A 258 -5.841 6.834 5.406 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.513 7.585 4.711 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.069 7.355 6.337 1.00 0.00 N ATOM 0 H GLN A 258 -5.748 3.424 1.612 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.814 3.007 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -4.898 5.315 3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.641 5.160 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.824 4.941 5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.081 4.871 5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.501 6.747 6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.039 8.366 6.468 1.00 0.00 H new ATOM 267 N CYS A 259 -6.865 2.090 5.396 1.00 0.00 N ATOM 268 CA CYS A 259 -7.995 1.487 6.094 1.00 0.00 C ATOM 269 C CYS A 259 -9.212 2.436 6.191 1.00 0.00 C ATOM 270 O CYS A 259 -9.083 3.625 6.500 1.00 0.00 O ATOM 271 CB CYS A 259 -7.494 1.073 7.482 1.00 0.00 C ATOM 272 SG CYS A 259 -8.686 -0.054 8.260 1.00 0.00 S ATOM 0 H CYS A 259 -6.007 2.070 5.947 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.354 0.623 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.522 0.586 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.355 1.956 8.106 1.00 0.00 H new ATOM 277 N SER A 260 -10.408 1.904 5.935 1.00 0.00 N ATOM 278 CA SER A 260 -11.675 2.653 5.980 1.00 0.00 C ATOM 279 C SER A 260 -12.063 3.101 7.405 1.00 0.00 C ATOM 280 O SER A 260 -12.727 4.130 7.571 1.00 0.00 O ATOM 281 CB SER A 260 -12.793 1.841 5.309 1.00 0.00 C ATOM 282 OG SER A 260 -14.080 2.438 5.397 1.00 0.00 O ATOM 0 H SER A 260 -10.531 0.923 5.685 1.00 0.00 H new ATOM 0 HA SER A 260 -11.528 3.575 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.542 1.698 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.832 0.852 5.765 1.00 0.00 H new ATOM 0 HG SER A 260 -14.758 1.799 5.093 1.00 0.00 H new ATOM 288 N PHE A 261 -11.611 2.389 8.447 1.00 0.00 N ATOM 289 CA PHE A 261 -11.881 2.761 9.833 1.00 0.00 C ATOM 290 C PHE A 261 -11.055 3.984 10.277 1.00 0.00 C ATOM 291 O PHE A 261 -9.838 4.018 10.059 1.00 0.00 O ATOM 292 CB PHE A 261 -11.629 1.572 10.761 1.00 0.00 C ATOM 293 CG PHE A 261 -12.592 0.421 10.579 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.927 0.548 11.006 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.150 -0.785 10.002 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.819 -0.530 10.848 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.036 -1.864 9.859 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.374 -1.736 10.276 1.00 0.00 C ATOM 0 H PHE A 261 -11.050 1.543 8.348 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.932 3.044 9.897 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.614 1.209 10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.684 1.915 11.794 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.267 1.470 11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.127 -0.880 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.846 -0.431 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.691 -2.793 9.429 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.059 -2.563 10.157 1.00 0.00 H new ATOM 308 N PRO A 262 -11.691 4.963 10.951 1.00 0.00 N ATOM 309 CA PRO A 262 -11.056 6.202 11.393 1.00 0.00 C ATOM 310 C PRO A 262 -10.090 5.983 12.564 1.00 0.00 C ATOM 311 O PRO A 262 -9.068 6.661 12.657 1.00 0.00 O ATOM 312 CB PRO A 262 -12.227 7.098 11.801 1.00 0.00 C ATOM 313 CG PRO A 262 -13.308 6.125 12.269 1.00 0.00 C ATOM 314 CD PRO A 262 -13.093 4.936 11.342 1.00 0.00 C ATOM 0 HA PRO A 262 -10.440 6.640 10.607 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.942 7.787 12.596 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.574 7.704 10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -13.184 5.852 13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.308 6.547 12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.337 4.001 11.847 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.741 5.004 10.468 1.00 0.00 H new ATOM 322 N ASN A 263 -10.380 5.003 13.427 1.00 0.00 N ATOM 323 CA ASN A 263 -9.512 4.563 14.527 1.00 0.00 C ATOM 324 C ASN A 263 -8.308 3.708 14.062 1.00 0.00 C ATOM 325 O ASN A 263 -7.442 3.371 14.873 1.00 0.00 O ATOM 326 CB ASN A 263 -10.366 3.822 15.569 1.00 0.00 C ATOM 327 CG ASN A 263 -11.004 2.553 15.009 1.00 0.00 C ATOM 328 OD1 ASN A 263 -12.006 2.604 14.305 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.440 1.391 15.285 1.00 0.00 N ATOM 0 H ASN A 263 -11.253 4.477 13.378 1.00 0.00 H new ATOM 0 HA ASN A 263 -9.066 5.451 14.976 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.744 3.564 16.426 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -11.149 4.488 15.932 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.838 0.529 14.912 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.606 1.355 15.871 1.00 0.00 H new ATOM 336 N CYS A 264 -8.252 3.379 12.766 1.00 0.00 N ATOM 337 CA CYS A 264 -7.123 2.740 12.093 1.00 0.00 C ATOM 338 C CYS A 264 -6.342 3.810 11.313 1.00 0.00 C ATOM 339 O CYS A 264 -5.309 4.294 11.783 1.00 0.00 O ATOM 340 CB CYS A 264 -7.657 1.615 11.189 1.00 0.00 C ATOM 341 SG CYS A 264 -6.662 0.106 11.287 1.00 0.00 S ATOM 0 H CYS A 264 -9.030 3.561 12.132 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.435 2.287 12.807 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.685 1.386 11.470 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.679 1.964 10.157 1.00 0.00 H new ATOM 346 N GLY A 265 -6.841 4.170 10.121 1.00 0.00 N ATOM 347 CA GLY A 265 -6.188 5.077 9.183 1.00 0.00 C ATOM 348 C GLY A 265 -4.835 4.560 8.684 1.00 0.00 C ATOM 349 O GLY A 265 -4.047 5.337 8.142 1.00 0.00 O ATOM 0 H GLY A 265 -7.737 3.824 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.845 5.240 8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -6.045 6.045 9.664 1.00 0.00 H new ATOM 353 N LYS A 266 -4.555 3.267 8.870 1.00 0.00 N ATOM 354 CA LYS A 266 -3.275 2.639 8.546 1.00 0.00 C ATOM 355 C LYS A 266 -3.094 2.451 7.041 1.00 0.00 C ATOM 356 O LYS A 266 -4.050 2.101 6.344 1.00 0.00 O ATOM 357 CB LYS A 266 -3.178 1.278 9.240 1.00 0.00 C ATOM 358 CG LYS A 266 -3.096 1.396 10.756 1.00 0.00 C ATOM 359 CD LYS A 266 -2.980 -0.021 11.309 1.00 0.00 C ATOM 360 CE LYS A 266 -3.000 -0.029 12.830 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.331 0.358 13.371 1.00 0.00 N ATOM 0 H LYS A 266 -5.232 2.612 9.261 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.485 3.302 8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.046 0.676 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.298 0.749 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.235 1.996 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.981 1.893 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.801 -0.629 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -2.056 -0.477 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.737 -1.023 13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.242 0.658 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.552 -0.228 14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.315 1.360 13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -5.058 0.212 12.642 1.00 0.00 H new ATOM 375 N TRP A 267 -1.866 2.601 6.550 1.00 0.00 N ATOM 376 CA TRP A 267 -1.502 2.319 5.167 1.00 0.00 C ATOM 377 C TRP A 267 -0.856 0.934 5.076 1.00 0.00 C ATOM 378 O TRP A 267 0.156 0.667 5.728 1.00 0.00 O ATOM 379 CB TRP A 267 -0.597 3.436 4.631 1.00 0.00 C ATOM 380 CG TRP A 267 -1.265 4.772 4.501 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.372 5.694 5.481 1.00 0.00 C ATOM 382 CD2 TRP A 267 -1.949 5.344 3.344 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.039 6.807 5.005 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.420 6.646 3.689 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.231 4.886 2.040 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.116 7.458 2.779 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -2.941 5.685 1.124 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.368 6.975 1.484 1.00 0.00 C ATOM 0 H TRP A 267 -1.082 2.928 7.115 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.391 2.299 4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.263 3.537 5.293 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.215 3.139 3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.993 5.579 6.486 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.226 7.643 5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -1.896 3.904 1.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.453 8.442 3.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.159 5.304 0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -3.888 7.593 0.767 1.00 0.00 H new ATOM 399 N ARG A 268 -1.449 0.057 4.259 1.00 0.00 N ATOM 400 CA ARG A 268 -0.907 -1.260 3.910 1.00 0.00 C ATOM 401 C ARG A 268 -0.432 -1.255 2.451 1.00 0.00 C ATOM 402 O ARG A 268 -0.944 -0.488 1.624 1.00 0.00 O ATOM 403 CB ARG A 268 -1.945 -2.375 4.138 1.00 0.00 C ATOM 404 CG ARG A 268 -2.718 -2.334 5.469 1.00 0.00 C ATOM 405 CD ARG A 268 -1.848 -2.360 6.725 1.00 0.00 C ATOM 406 NE ARG A 268 -2.698 -2.548 7.911 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.301 -2.736 9.158 1.00 0.00 C ATOM 408 NH1 ARG A 268 -1.052 -2.603 9.538 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.190 -3.050 10.060 1.00 0.00 N ATOM 0 H ARG A 268 -2.344 0.249 3.810 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.059 -1.465 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.668 -2.340 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.434 -3.335 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.330 -1.432 5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.401 -3.183 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.118 -3.166 6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.288 -1.429 6.811 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.706 -2.531 7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.337 -2.343 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.796 -2.759 10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.171 -3.146 9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.904 -3.199 11.028 1.00 0.00 H new ATOM 423 N ARG A 269 0.555 -2.102 2.156 1.00 0.00 N ATOM 424 CA ARG A 269 1.211 -2.221 0.850 1.00 0.00 C ATOM 425 C ARG A 269 0.556 -3.331 0.012 1.00 0.00 C ATOM 426 O ARG A 269 0.248 -4.397 0.551 1.00 0.00 O ATOM 427 CB ARG A 269 2.704 -2.530 1.079 1.00 0.00 C ATOM 428 CG ARG A 269 3.581 -1.960 -0.043 1.00 0.00 C ATOM 429 CD ARG A 269 4.771 -2.859 -0.397 1.00 0.00 C ATOM 430 NE ARG A 269 4.324 -4.046 -1.147 1.00 0.00 N ATOM 431 CZ ARG A 269 4.890 -5.243 -1.188 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.980 -5.540 -0.512 1.00 0.00 N ATOM 433 NH2 ARG A 269 4.339 -6.164 -1.943 1.00 0.00 N ATOM 0 H ARG A 269 0.935 -2.750 2.846 1.00 0.00 H new ATOM 0 HA ARG A 269 1.105 -1.286 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 269 3.019 -2.112 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.847 -3.609 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.969 -1.811 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.951 -0.980 0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.492 -2.298 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.282 -3.170 0.514 1.00 0.00 H new ATOM 0 HE ARG A 269 3.476 -3.932 -1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.425 -4.834 0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.380 -6.476 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 269 3.498 -5.949 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.752 -7.095 -1.995 1.00 0.00 H new ATOM 447 N LEU A 270 0.366 -3.106 -1.293 1.00 0.00 N ATOM 448 CA LEU A 270 -0.198 -4.099 -2.226 1.00 0.00 C ATOM 449 C LEU A 270 0.888 -4.805 -3.057 1.00 0.00 C ATOM 450 O LEU A 270 2.075 -4.487 -2.962 1.00 0.00 O ATOM 451 CB LEU A 270 -1.277 -3.424 -3.108 1.00 0.00 C ATOM 452 CG LEU A 270 -2.490 -2.857 -2.342 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.534 -2.367 -3.353 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.150 -3.893 -1.416 1.00 0.00 C ATOM 0 H LEU A 270 0.601 -2.220 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.674 -4.890 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -0.811 -2.614 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.635 -4.151 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.125 -2.042 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.395 -1.964 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.097 -1.588 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -3.852 -3.200 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -3.997 -3.436 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.497 -4.740 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.424 -4.238 -0.680 1.00 0.00 H new ATOM 466 N CYS A 271 0.473 -5.766 -3.889 1.00 0.00 N ATOM 467 CA CYS A 271 1.342 -6.516 -4.812 1.00 0.00 C ATOM 468 C CYS A 271 1.878 -5.667 -5.991 1.00 0.00 C ATOM 469 O CYS A 271 2.862 -6.035 -6.635 1.00 0.00 O ATOM 470 CB CYS A 271 0.540 -7.738 -5.303 1.00 0.00 C ATOM 471 SG CYS A 271 1.674 -9.053 -5.836 1.00 0.00 S ATOM 0 H CYS A 271 -0.504 -6.054 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 271 2.240 -6.828 -4.279 1.00 0.00 H new ATOM 0 HB2 CYS A 271 -0.105 -8.105 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 271 -0.109 -7.449 -6.130 1.00 0.00 H new ATOM 0 HG CYS A 271 0.988 -10.078 -6.246 1.00 0.00 H new ATOM 477 N GLY A 272 1.221 -4.537 -6.290 1.00 0.00 N ATOM 478 CA GLY A 272 1.536 -3.618 -7.399 1.00 0.00 C ATOM 479 C GLY A 272 0.831 -3.954 -8.719 1.00 0.00 C ATOM 480 O GLY A 272 0.718 -3.090 -9.587 1.00 0.00 O ATOM 0 H GLY A 272 0.420 -4.223 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.264 -2.605 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 272 2.613 -3.624 -7.565 1.00 0.00 H new ATOM 484 N ASN A 273 0.310 -5.178 -8.861 1.00 0.00 N ATOM 485 CA ASN A 273 -0.510 -5.605 -10.005 1.00 0.00 C ATOM 486 C ASN A 273 -1.999 -5.200 -9.867 1.00 0.00 C ATOM 487 O ASN A 273 -2.749 -5.234 -10.844 1.00 0.00 O ATOM 488 CB ASN A 273 -0.349 -7.127 -10.167 1.00 0.00 C ATOM 489 CG ASN A 273 -0.994 -7.658 -11.447 1.00 0.00 C ATOM 490 OD1 ASN A 273 -0.673 -7.233 -12.551 1.00 0.00 O ATOM 491 ND2 ASN A 273 -1.913 -8.603 -11.342 1.00 0.00 N ATOM 0 H ASN A 273 0.448 -5.916 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.159 -5.091 -10.900 1.00 0.00 H new ATOM 0 HB2 ASN A 273 0.712 -7.377 -10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -0.793 -7.628 -9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 273 -2.356 -8.979 -12.180 1.00 0.00 H new ATOM 0 HD22 ASN A 273 -2.179 -8.956 -10.423 1.00 0.00 H new ATOM 498 N ILE A 274 -2.434 -4.803 -8.664 1.00 0.00 N ATOM 499 CA ILE A 274 -3.799 -4.347 -8.361 1.00 0.00 C ATOM 500 C ILE A 274 -3.863 -2.825 -8.528 1.00 0.00 C ATOM 501 O ILE A 274 -3.007 -2.102 -8.017 1.00 0.00 O ATOM 502 CB ILE A 274 -4.233 -4.761 -6.933 1.00 0.00 C ATOM 503 CG1 ILE A 274 -4.156 -6.281 -6.643 1.00 0.00 C ATOM 504 CG2 ILE A 274 -5.692 -4.312 -6.714 1.00 0.00 C ATOM 505 CD1 ILE A 274 -2.756 -6.821 -6.337 1.00 0.00 C ATOM 0 H ILE A 274 -1.825 -4.790 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.492 -4.822 -9.055 1.00 0.00 H new ATOM 0 HB ILE A 274 -3.529 -4.278 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.806 -6.506 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -4.554 -6.819 -7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -6.014 -4.596 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -5.760 -3.230 -6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -6.335 -4.792 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -2.813 -7.893 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -2.101 -6.636 -7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -2.357 -6.319 -5.456 1.00 0.00 H new ATOM 517 N ASP A 275 -4.889 -2.336 -9.224 1.00 0.00 N ATOM 518 CA ASP A 275 -5.083 -0.910 -9.510 1.00 0.00 C ATOM 519 C ASP A 275 -6.057 -0.254 -8.504 1.00 0.00 C ATOM 520 O ASP A 275 -7.146 -0.792 -8.271 1.00 0.00 O ATOM 521 CB ASP A 275 -5.593 -0.760 -10.949 1.00 0.00 C ATOM 522 CG ASP A 275 -5.514 0.690 -11.444 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.312 1.521 -10.952 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.655 0.988 -12.306 1.00 0.00 O ATOM 0 H ASP A 275 -5.623 -2.928 -9.613 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.129 -0.393 -9.404 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -5.007 -1.400 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.625 -1.105 -11.005 1.00 0.00 H new ATOM 529 N PRO A 276 -5.722 0.919 -7.931 1.00 0.00 N ATOM 530 CA PRO A 276 -6.566 1.598 -6.954 1.00 0.00 C ATOM 531 C PRO A 276 -7.922 2.067 -7.506 1.00 0.00 C ATOM 532 O PRO A 276 -8.831 2.330 -6.722 1.00 0.00 O ATOM 533 CB PRO A 276 -5.716 2.746 -6.404 1.00 0.00 C ATOM 534 CG PRO A 276 -4.715 3.036 -7.518 1.00 0.00 C ATOM 535 CD PRO A 276 -4.486 1.658 -8.131 1.00 0.00 C ATOM 0 HA PRO A 276 -6.862 0.905 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.326 3.621 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.213 2.462 -5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.113 3.742 -8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.791 3.465 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.247 1.738 -9.191 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.647 1.153 -7.652 1.00 0.00 H new ATOM 543 N SER A 277 -8.115 2.106 -8.830 1.00 0.00 N ATOM 544 CA SER A 277 -9.406 2.423 -9.458 1.00 0.00 C ATOM 545 C SER A 277 -10.411 1.246 -9.417 1.00 0.00 C ATOM 546 O SER A 277 -11.601 1.454 -9.663 1.00 0.00 O ATOM 547 CB SER A 277 -9.157 2.898 -10.902 1.00 0.00 C ATOM 548 OG SER A 277 -10.259 3.607 -11.458 1.00 0.00 O ATOM 0 H SER A 277 -7.373 1.917 -9.503 1.00 0.00 H new ATOM 0 HA SER A 277 -9.873 3.221 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.275 3.539 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.936 2.034 -11.529 1.00 0.00 H new ATOM 0 HG SER A 277 -11.096 3.243 -11.101 1.00 0.00 H new ATOM 554 N VAL A 278 -9.972 0.024 -9.057 1.00 0.00 N ATOM 555 CA VAL A 278 -10.837 -1.178 -8.937 1.00 0.00 C ATOM 556 C VAL A 278 -10.950 -1.711 -7.494 1.00 0.00 C ATOM 557 O VAL A 278 -11.368 -2.851 -7.283 1.00 0.00 O ATOM 558 CB VAL A 278 -10.474 -2.294 -9.953 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.558 -1.779 -11.401 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.097 -2.937 -9.724 1.00 0.00 C ATOM 0 H VAL A 278 -8.994 -0.164 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.836 -0.834 -9.206 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.218 -3.072 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.298 -2.584 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.573 -1.438 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.863 -0.950 -11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.924 -3.705 -10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.322 -2.174 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.066 -3.388 -8.732 1.00 0.00 H new ATOM 570 N LEU A 279 -10.602 -0.891 -6.492 1.00 0.00 N ATOM 571 CA LEU A 279 -10.723 -1.223 -5.064 1.00 0.00 C ATOM 572 C LEU A 279 -12.011 -0.649 -4.430 1.00 0.00 C ATOM 573 O LEU A 279 -12.529 0.368 -4.909 1.00 0.00 O ATOM 574 CB LEU A 279 -9.463 -0.742 -4.317 1.00 0.00 C ATOM 575 CG LEU A 279 -8.188 -1.521 -4.696 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.980 -0.877 -4.014 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.284 -2.990 -4.252 1.00 0.00 C ATOM 0 H LEU A 279 -10.221 0.041 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.802 -2.306 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.308 0.316 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.630 -0.834 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.078 -1.489 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.077 -1.426 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.886 0.158 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.116 -0.904 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.371 -3.515 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.411 -3.036 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.138 -3.462 -4.738 1.00 0.00 H new ATOM 589 N PRO A 280 -12.532 -1.294 -3.364 1.00 0.00 N ATOM 590 CA PRO A 280 -13.783 -0.921 -2.708 1.00 0.00 C ATOM 591 C PRO A 280 -13.626 0.352 -1.869 1.00 0.00 C ATOM 592 O PRO A 280 -12.573 0.607 -1.289 1.00 0.00 O ATOM 593 CB PRO A 280 -14.160 -2.128 -1.840 1.00 0.00 C ATOM 594 CG PRO A 280 -12.828 -2.803 -1.529 1.00 0.00 C ATOM 595 CD PRO A 280 -11.984 -2.501 -2.757 1.00 0.00 C ATOM 0 HA PRO A 280 -14.562 -0.690 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.671 -1.818 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.833 -2.803 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.376 -2.401 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.947 -3.876 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.940 -2.354 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.014 -3.334 -3.460 1.00 0.00 H new ATOM 603 N ASP A 281 -14.704 1.136 -1.761 1.00 0.00 N ATOM 604 CA ASP A 281 -14.749 2.354 -0.934 1.00 0.00 C ATOM 605 C ASP A 281 -14.696 2.063 0.581 1.00 0.00 C ATOM 606 O ASP A 281 -14.382 2.949 1.374 1.00 0.00 O ATOM 607 CB ASP A 281 -16.015 3.157 -1.273 1.00 0.00 C ATOM 608 CG ASP A 281 -15.984 3.723 -2.701 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.280 4.737 -2.928 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.679 3.167 -3.585 1.00 0.00 O ATOM 0 H ASP A 281 -15.579 0.944 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.856 2.934 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.890 2.517 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.123 3.976 -0.562 1.00 0.00 H new ATOM 615 N ASN A 282 -14.945 0.809 0.969 1.00 0.00 N ATOM 616 CA ASN A 282 -14.910 0.300 2.344 1.00 0.00 C ATOM 617 C ASN A 282 -13.728 -0.670 2.566 1.00 0.00 C ATOM 618 O ASN A 282 -13.787 -1.538 3.442 1.00 0.00 O ATOM 619 CB ASN A 282 -16.269 -0.348 2.664 1.00 0.00 C ATOM 620 CG ASN A 282 -17.437 0.626 2.528 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.501 1.656 3.189 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.402 0.328 1.673 1.00 0.00 N ATOM 0 H ASN A 282 -15.190 0.082 0.296 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.743 1.127 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.429 -1.195 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.248 -0.743 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.199 0.955 1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.349 -0.529 1.123 1.00 0.00 H new ATOM 629 N TRP A 283 -12.657 -0.554 1.765 1.00 0.00 N ATOM 630 CA TRP A 283 -11.409 -1.302 1.955 1.00 0.00 C ATOM 631 C TRP A 283 -10.859 -1.129 3.381 1.00 0.00 C ATOM 632 O TRP A 283 -10.837 -0.028 3.921 1.00 0.00 O ATOM 633 CB TRP A 283 -10.363 -0.867 0.921 1.00 0.00 C ATOM 634 CG TRP A 283 -9.170 -1.759 0.907 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.004 -2.826 0.096 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.023 -1.749 1.812 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.840 -3.488 0.443 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.219 -2.887 1.520 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.613 -0.925 2.887 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.078 -3.197 2.272 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.469 -1.228 3.645 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.710 -2.367 3.340 1.00 0.00 C ATOM 0 H TRP A 283 -12.635 0.070 0.958 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.630 -2.360 1.811 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.818 -0.858 -0.070 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.047 0.154 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.675 -3.117 -0.699 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.485 -4.316 -0.036 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.191 -0.046 3.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.487 -4.068 2.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.175 -0.585 4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.838 -2.606 3.931 1.00 0.00 H new ATOM 653 N SER A 284 -10.379 -2.203 3.990 1.00 0.00 N ATOM 654 CA SER A 284 -9.828 -2.215 5.349 1.00 0.00 C ATOM 655 C SER A 284 -8.656 -3.193 5.438 1.00 0.00 C ATOM 656 O SER A 284 -8.447 -3.993 4.522 1.00 0.00 O ATOM 657 CB SER A 284 -10.929 -2.586 6.358 1.00 0.00 C ATOM 658 OG SER A 284 -11.447 -3.893 6.119 1.00 0.00 O ATOM 0 H SER A 284 -10.359 -3.120 3.544 1.00 0.00 H new ATOM 0 HA SER A 284 -9.457 -1.219 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.527 -2.533 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.738 -1.858 6.298 1.00 0.00 H new ATOM 0 HG SER A 284 -12.142 -4.095 6.779 1.00 0.00 H new ATOM 664 N CYS A 285 -7.910 -3.167 6.546 1.00 0.00 N ATOM 665 CA CYS A 285 -6.803 -4.101 6.790 1.00 0.00 C ATOM 666 C CYS A 285 -7.196 -5.586 6.565 1.00 0.00 C ATOM 667 O CYS A 285 -6.373 -6.388 6.130 1.00 0.00 O ATOM 668 CB CYS A 285 -6.278 -3.938 8.227 1.00 0.00 C ATOM 669 SG CYS A 285 -5.807 -2.238 8.639 1.00 0.00 S ATOM 0 H CYS A 285 -8.056 -2.497 7.301 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.028 -3.851 6.065 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.045 -4.273 8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.415 -4.589 8.365 1.00 0.00 H new ATOM 674 N ASP A 286 -8.460 -5.953 6.815 1.00 0.00 N ATOM 675 CA ASP A 286 -9.024 -7.294 6.583 1.00 0.00 C ATOM 676 C ASP A 286 -9.065 -7.708 5.093 1.00 0.00 C ATOM 677 O ASP A 286 -9.206 -8.889 4.773 1.00 0.00 O ATOM 678 CB ASP A 286 -10.429 -7.332 7.206 1.00 0.00 C ATOM 679 CG ASP A 286 -11.060 -8.736 7.191 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.577 -9.621 7.936 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.064 -8.936 6.464 1.00 0.00 O ATOM 0 H ASP A 286 -9.145 -5.302 7.199 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.366 -8.023 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.373 -6.977 8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.078 -6.643 6.666 1.00 0.00 H new ATOM 686 N GLN A 287 -8.910 -6.745 4.181 1.00 0.00 N ATOM 687 CA GLN A 287 -8.962 -6.898 2.724 1.00 0.00 C ATOM 688 C GLN A 287 -7.557 -6.801 2.081 1.00 0.00 C ATOM 689 O GLN A 287 -7.431 -6.632 0.867 1.00 0.00 O ATOM 690 CB GLN A 287 -9.956 -5.852 2.179 1.00 0.00 C ATOM 691 CG GLN A 287 -11.402 -6.161 2.610 1.00 0.00 C ATOM 692 CD GLN A 287 -12.346 -4.979 2.405 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.822 -4.705 1.312 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.645 -4.224 3.443 1.00 0.00 N ATOM 0 H GLN A 287 -8.734 -5.779 4.456 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.314 -7.895 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.674 -4.861 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.898 -5.827 1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.770 -7.016 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.409 -6.448 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.255 -4.441 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.266 -3.423 3.329 1.00 0.00 H new ATOM 703 N ASN A 288 -6.491 -6.915 2.884 1.00 0.00 N ATOM 704 CA ASN A 288 -5.097 -6.855 2.431 1.00 0.00 C ATOM 705 C ASN A 288 -4.630 -8.107 1.660 1.00 0.00 C ATOM 706 O ASN A 288 -5.153 -9.211 1.847 1.00 0.00 O ATOM 707 CB ASN A 288 -4.178 -6.579 3.636 1.00 0.00 C ATOM 708 CG ASN A 288 -2.826 -6.013 3.213 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.740 -5.150 2.351 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.731 -6.514 3.749 1.00 0.00 N ATOM 0 H ASN A 288 -6.577 -7.055 3.891 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.035 -6.037 1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.668 -5.878 4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.025 -7.503 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.816 -6.182 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.799 -7.234 4.468 1.00 0.00 H new ATOM 717 N THR A 289 -3.594 -7.929 0.825 1.00 0.00 N ATOM 718 CA THR A 289 -2.949 -8.991 0.026 1.00 0.00 C ATOM 719 C THR A 289 -1.780 -9.667 0.741 1.00 0.00 C ATOM 720 O THR A 289 -1.320 -10.716 0.295 1.00 0.00 O ATOM 721 CB THR A 289 -2.501 -8.463 -1.345 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.645 -7.352 -1.198 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.698 -8.038 -2.193 1.00 0.00 C ATOM 0 H THR A 289 -3.166 -7.014 0.681 1.00 0.00 H new ATOM 0 HA THR A 289 -3.713 -9.755 -0.117 1.00 0.00 H new ATOM 0 HB THR A 289 -1.973 -9.277 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.370 -7.032 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.348 -7.669 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.356 -8.893 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.246 -7.248 -1.679 1.00 0.00 H new ATOM 731 N ASP A 290 -1.333 -9.109 1.869 1.00 0.00 N ATOM 732 CA ASP A 290 -0.210 -9.600 2.673 1.00 0.00 C ATOM 733 C ASP A 290 -0.657 -10.005 4.090 1.00 0.00 C ATOM 734 O ASP A 290 -1.146 -9.176 4.860 1.00 0.00 O ATOM 735 CB ASP A 290 0.899 -8.530 2.724 1.00 0.00 C ATOM 736 CG ASP A 290 2.256 -9.089 2.263 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.635 -10.188 2.733 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.930 -8.434 1.434 1.00 0.00 O ATOM 0 H ASP A 290 -1.760 -8.270 2.263 1.00 0.00 H new ATOM 0 HA ASP A 290 0.185 -10.498 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.620 -7.687 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.990 -8.149 3.741 1.00 0.00 H new ATOM 743 N VAL A 291 -0.455 -11.279 4.443 1.00 0.00 N ATOM 744 CA VAL A 291 -0.928 -11.898 5.705 1.00 0.00 C ATOM 745 C VAL A 291 -0.234 -11.349 6.960 1.00 0.00 C ATOM 746 O VAL A 291 -0.744 -11.487 8.069 1.00 0.00 O ATOM 747 CB VAL A 291 -0.786 -13.439 5.700 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.601 -14.053 4.552 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.681 -13.898 5.606 1.00 0.00 C ATOM 0 H VAL A 291 0.055 -11.933 3.849 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.983 -11.628 5.750 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.177 -13.792 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.488 -15.137 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.653 -13.796 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.241 -13.662 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.722 -14.987 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.123 -13.518 4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.238 -13.514 6.460 1.00 0.00 H new ATOM 759 N GLN A 292 0.920 -10.708 6.772 1.00 0.00 N ATOM 760 CA GLN A 292 1.694 -10.046 7.823 1.00 0.00 C ATOM 761 C GLN A 292 1.019 -8.774 8.358 1.00 0.00 C ATOM 762 O GLN A 292 1.351 -8.340 9.459 1.00 0.00 O ATOM 763 CB GLN A 292 3.130 -9.778 7.335 1.00 0.00 C ATOM 764 CG GLN A 292 3.261 -9.415 5.846 1.00 0.00 C ATOM 765 CD GLN A 292 4.632 -8.846 5.472 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.762 -7.723 5.001 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.708 -9.585 5.661 1.00 0.00 N ATOM 0 H GLN A 292 1.356 -10.633 5.853 1.00 0.00 H new ATOM 0 HA GLN A 292 1.738 -10.727 8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.552 -8.967 7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.734 -10.664 7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.070 -10.305 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.492 -8.686 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.620 -10.523 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.628 -9.219 5.416 1.00 0.00 H new ATOM 776 N TYR A 293 0.051 -8.212 7.623 1.00 0.00 N ATOM 777 CA TYR A 293 -0.678 -6.986 7.992 1.00 0.00 C ATOM 778 C TYR A 293 -2.171 -7.035 7.600 1.00 0.00 C ATOM 779 O TYR A 293 -2.798 -6.006 7.345 1.00 0.00 O ATOM 780 CB TYR A 293 0.048 -5.752 7.427 1.00 0.00 C ATOM 781 CG TYR A 293 1.453 -5.546 7.963 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.642 -4.822 9.153 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.563 -6.115 7.312 1.00 0.00 C ATOM 784 CE1 TYR A 293 2.925 -4.684 9.710 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.847 -6.003 7.872 1.00 0.00 C ATOM 786 CZ TYR A 293 4.033 -5.296 9.082 1.00 0.00 C ATOM 787 OH TYR A 293 5.269 -5.225 9.647 1.00 0.00 O ATOM 0 H TYR A 293 -0.256 -8.605 6.733 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.678 -6.908 9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.096 -5.840 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.545 -4.865 7.648 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.794 -4.368 9.644 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.428 -6.640 6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.064 -4.112 10.615 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.693 -6.458 7.377 1.00 0.00 H new ATOM 0 HH TYR A 293 5.914 -5.700 9.083 1.00 0.00 H new ATOM 797 N ASN A 294 -2.757 -8.238 7.555 1.00 0.00 N ATOM 798 CA ASN A 294 -4.140 -8.478 7.117 1.00 0.00 C ATOM 799 C ASN A 294 -5.209 -8.306 8.224 1.00 0.00 C ATOM 800 O ASN A 294 -6.312 -8.849 8.116 1.00 0.00 O ATOM 801 CB ASN A 294 -4.241 -9.835 6.399 1.00 0.00 C ATOM 802 CG ASN A 294 -4.204 -11.050 7.331 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.852 -10.970 8.504 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.578 -12.215 6.834 1.00 0.00 N ATOM 0 H ASN A 294 -2.272 -9.093 7.828 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.380 -7.687 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.168 -9.861 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.422 -9.916 5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.574 -13.046 7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.871 -12.283 5.859 1.00 0.00 H new ATOM 811 N ARG A 295 -4.878 -7.584 9.303 1.00 0.00 N ATOM 812 CA ARG A 295 -5.750 -7.324 10.455 1.00 0.00 C ATOM 813 C ARG A 295 -5.559 -5.917 11.014 1.00 0.00 C ATOM 814 O ARG A 295 -4.434 -5.460 11.208 1.00 0.00 O ATOM 815 CB ARG A 295 -5.443 -8.331 11.570 1.00 0.00 C ATOM 816 CG ARG A 295 -6.300 -9.596 11.483 1.00 0.00 C ATOM 817 CD ARG A 295 -5.868 -10.562 12.589 1.00 0.00 C ATOM 818 NE ARG A 295 -6.766 -11.727 12.672 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.679 -12.725 13.545 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.735 -12.770 14.464 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.556 -13.705 13.506 1.00 0.00 N ATOM 0 H ARG A 295 -3.961 -7.149 9.400 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.779 -7.423 10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.390 -8.608 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.604 -7.855 12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.355 -9.345 11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.183 -10.065 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.849 -10.900 12.400 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.859 -10.040 13.546 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.527 -11.772 11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.042 -12.024 14.520 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.697 -13.551 15.119 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.299 -13.697 12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.493 -14.473 14.174 1.00 0.00 H new ATOM 835 N CYS A 296 -6.670 -5.293 11.391 1.00 0.00 N ATOM 836 CA CYS A 296 -6.740 -3.984 12.040 1.00 0.00 C ATOM 837 C CYS A 296 -6.063 -3.897 13.425 1.00 0.00 C ATOM 838 O CYS A 296 -5.785 -2.802 13.918 1.00 0.00 O ATOM 839 CB CYS A 296 -8.229 -3.645 12.153 1.00 0.00 C ATOM 840 SG CYS A 296 -8.786 -2.786 10.658 1.00 0.00 S ATOM 0 H CYS A 296 -7.592 -5.704 11.246 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.180 -3.273 11.433 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.808 -4.557 12.295 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.402 -3.018 13.028 1.00 0.00 H new ATOM 845 N ASP A 297 -5.773 -5.043 14.042 1.00 0.00 N ATOM 846 CA ASP A 297 -5.120 -5.151 15.347 1.00 0.00 C ATOM 847 C ASP A 297 -3.590 -5.247 15.201 1.00 0.00 C ATOM 848 O ASP A 297 -2.859 -5.300 16.191 1.00 0.00 O ATOM 849 CB ASP A 297 -5.739 -6.352 16.071 1.00 0.00 C ATOM 850 CG ASP A 297 -5.327 -6.450 17.551 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.632 -5.510 18.325 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.743 -7.488 17.945 1.00 0.00 O ATOM 0 H ASP A 297 -5.993 -5.951 13.634 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.287 -4.255 15.944 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.825 -6.285 16.007 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.445 -7.268 15.558 1.00 0.00 H new ATOM 857 N ILE A 298 -3.099 -5.237 13.955 1.00 0.00 N ATOM 858 CA ILE A 298 -1.677 -5.245 13.613 1.00 0.00 C ATOM 859 C ILE A 298 -1.222 -3.800 13.360 1.00 0.00 C ATOM 860 O ILE A 298 -1.883 -3.090 12.589 1.00 0.00 O ATOM 861 CB ILE A 298 -1.388 -6.147 12.393 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.933 -7.564 12.661 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.120 -6.185 12.112 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.669 -8.581 11.544 1.00 0.00 C ATOM 0 H ILE A 298 -3.703 -5.223 13.133 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.112 -5.664 14.446 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.887 -5.741 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.491 -7.938 13.585 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -3.009 -7.498 12.826 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.314 -6.824 11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.477 -5.176 11.904 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.642 -6.582 12.982 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.089 -9.547 11.824 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.135 -8.237 10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.595 -8.683 11.392 1.00 0.00 H new ATOM 876 N PRO A 299 -0.098 -3.371 13.960 1.00 0.00 N ATOM 877 CA PRO A 299 0.437 -2.023 13.819 1.00 0.00 C ATOM 878 C PRO A 299 0.837 -1.707 12.376 1.00 0.00 C ATOM 879 O PRO A 299 1.053 -2.605 11.565 1.00 0.00 O ATOM 880 CB PRO A 299 1.638 -1.975 14.768 1.00 0.00 C ATOM 881 CG PRO A 299 2.091 -3.426 14.894 1.00 0.00 C ATOM 882 CD PRO A 299 0.779 -4.192 14.782 1.00 0.00 C ATOM 0 HA PRO A 299 -0.309 -1.268 14.068 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.433 -1.345 14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.360 -1.561 15.737 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.791 -3.703 14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.591 -3.614 15.844 1.00 0.00 H new ATOM 0 HD2 PRO A 299 0.936 -5.170 14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.343 -4.364 15.766 1.00 0.00 H new ATOM 890 N GLU A 300 0.930 -0.417 12.049 1.00 0.00 N ATOM 891 CA GLU A 300 1.349 0.063 10.741 1.00 0.00 C ATOM 892 C GLU A 300 2.824 -0.304 10.460 1.00 0.00 C ATOM 893 O GLU A 300 3.687 -0.152 11.331 1.00 0.00 O ATOM 894 CB GLU A 300 1.122 1.585 10.698 1.00 0.00 C ATOM 895 CG GLU A 300 0.796 2.017 9.273 1.00 0.00 C ATOM 896 CD GLU A 300 0.807 3.539 9.075 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.782 4.218 9.476 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.169 4.055 8.487 1.00 0.00 O ATOM 0 H GLU A 300 0.711 0.335 12.703 1.00 0.00 H new ATOM 0 HA GLU A 300 0.760 -0.415 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.306 1.860 11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.012 2.105 11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.517 1.565 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.186 1.631 9.001 1.00 0.00 H new ATOM 905 N GLU A 301 3.119 -0.786 9.247 1.00 0.00 N ATOM 906 CA GLU A 301 4.486 -1.098 8.807 1.00 0.00 C ATOM 907 C GLU A 301 5.359 0.171 8.780 1.00 0.00 C ATOM 908 O GLU A 301 4.902 1.251 8.387 1.00 0.00 O ATOM 909 CB GLU A 301 4.443 -1.785 7.426 1.00 0.00 C ATOM 910 CG GLU A 301 5.796 -2.029 6.732 1.00 0.00 C ATOM 911 CD GLU A 301 6.734 -3.003 7.471 1.00 0.00 C ATOM 912 OE1 GLU A 301 7.145 -2.713 8.621 1.00 0.00 O ATOM 913 OE2 GLU A 301 7.114 -4.038 6.875 1.00 0.00 O ATOM 0 H GLU A 301 2.411 -0.972 8.537 1.00 0.00 H new ATOM 0 HA GLU A 301 4.941 -1.785 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.941 -2.746 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.825 -1.179 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 301 5.610 -2.415 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 301 6.306 -1.073 6.615 1.00 0.00 H new ATOM 920 N THR A 302 6.630 0.022 9.170 1.00 0.00 N ATOM 921 CA THR A 302 7.650 1.074 9.105 1.00 0.00 C ATOM 922 C THR A 302 8.108 1.216 7.660 1.00 0.00 C ATOM 923 O THR A 302 8.746 0.318 7.108 1.00 0.00 O ATOM 924 CB THR A 302 8.831 0.757 10.033 1.00 0.00 C ATOM 925 OG1 THR A 302 8.345 0.643 11.356 1.00 0.00 O ATOM 926 CG2 THR A 302 9.883 1.871 10.014 1.00 0.00 C ATOM 0 H THR A 302 6.986 -0.855 9.549 1.00 0.00 H new ATOM 0 HA THR A 302 7.224 2.018 9.446 1.00 0.00 H new ATOM 0 HB THR A 302 9.293 -0.168 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 302 9.088 0.439 11.961 1.00 0.00 H new ATOM 0 HG21 THR A 302 10.702 1.609 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 302 10.267 1.992 9.001 1.00 0.00 H new ATOM 0 HG23 THR A 302 9.429 2.805 10.344 1.00 0.00 H new ATOM 934 N TRP A 303 7.800 2.364 7.058 1.00 0.00 N ATOM 935 CA TRP A 303 8.216 2.750 5.709 1.00 0.00 C ATOM 936 C TRP A 303 9.051 4.043 5.761 1.00 0.00 C ATOM 937 O TRP A 303 8.801 4.926 6.590 1.00 0.00 O ATOM 938 CB TRP A 303 6.975 2.878 4.807 1.00 0.00 C ATOM 939 CG TRP A 303 6.060 4.025 5.118 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.067 4.016 6.034 1.00 0.00 C ATOM 941 CD2 TRP A 303 6.058 5.372 4.548 1.00 0.00 C ATOM 942 NE1 TRP A 303 4.468 5.259 6.091 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.050 6.141 5.205 1.00 0.00 C ATOM 944 CE3 TRP A 303 6.813 6.023 3.547 1.00 0.00 C ATOM 945 CZ2 TRP A 303 4.818 7.491 4.899 1.00 0.00 C ATOM 946 CZ3 TRP A 303 6.586 7.377 3.231 1.00 0.00 C ATOM 947 CH2 TRP A 303 5.599 8.112 3.909 1.00 0.00 C ATOM 0 H TRP A 303 7.232 3.078 7.513 1.00 0.00 H new ATOM 0 HA TRP A 303 8.856 1.981 5.277 1.00 0.00 H new ATOM 0 HB2 TRP A 303 7.308 2.973 3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 303 6.403 1.953 4.874 1.00 0.00 H new ATOM 0 HD1 TRP A 303 4.784 3.163 6.633 1.00 0.00 H new ATOM 0 HE1 TRP A 303 3.693 5.495 6.710 1.00 0.00 H new ATOM 0 HE3 TRP A 303 7.576 5.474 3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.050 8.045 5.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 7.175 7.854 2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 303 5.441 9.153 3.670 1.00 0.00 H new ATOM 958 N THR A 304 10.050 4.142 4.875 1.00 0.00 N ATOM 959 CA THR A 304 11.067 5.207 4.881 1.00 0.00 C ATOM 960 C THR A 304 11.060 5.929 3.539 1.00 0.00 C ATOM 961 O THR A 304 11.400 5.341 2.511 1.00 0.00 O ATOM 962 CB THR A 304 12.449 4.619 5.204 1.00 0.00 C ATOM 963 OG1 THR A 304 12.368 3.928 6.433 1.00 0.00 O ATOM 964 CG2 THR A 304 13.517 5.706 5.351 1.00 0.00 C ATOM 0 H THR A 304 10.179 3.471 4.117 1.00 0.00 H new ATOM 0 HA THR A 304 10.832 5.935 5.658 1.00 0.00 H new ATOM 0 HB THR A 304 12.731 3.962 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 304 13.243 3.545 6.651 1.00 0.00 H new ATOM 0 HG21 THR A 304 14.477 5.244 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 304 13.596 6.267 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 304 13.239 6.382 6.159 1.00 0.00 H new ATOM 972 N GLY A 305 10.665 7.204 3.562 1.00 0.00 N ATOM 973 CA GLY A 305 10.707 8.118 2.414 1.00 0.00 C ATOM 974 C GLY A 305 12.020 8.903 2.332 1.00 0.00 C ATOM 975 O GLY A 305 12.991 8.605 3.033 1.00 0.00 O ATOM 0 H GLY A 305 10.296 7.644 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 305 10.571 7.547 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 305 9.874 8.817 2.481 1.00 0.00 H new ATOM 979 N LEU A 306 12.042 9.927 1.473 1.00 0.00 N ATOM 980 CA LEU A 306 13.197 10.792 1.217 1.00 0.00 C ATOM 981 C LEU A 306 12.697 12.203 0.857 1.00 0.00 C ATOM 982 O LEU A 306 11.920 12.369 -0.086 1.00 0.00 O ATOM 983 CB LEU A 306 14.039 10.128 0.103 1.00 0.00 C ATOM 984 CG LEU A 306 15.531 10.503 0.016 1.00 0.00 C ATOM 985 CD1 LEU A 306 15.780 11.990 -0.260 1.00 0.00 C ATOM 986 CD2 LEU A 306 16.312 10.060 1.264 1.00 0.00 C ATOM 0 H LEU A 306 11.227 10.185 0.917 1.00 0.00 H new ATOM 0 HA LEU A 306 13.835 10.908 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 306 13.971 9.048 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 306 13.576 10.366 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 306 15.905 9.953 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 306 16.853 12.177 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 306 15.322 12.266 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 306 15.343 12.587 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 306 17.359 10.345 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 306 15.892 10.542 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 306 16.240 8.978 1.373 1.00 0.00 H new ATOM 998 N GLU A 307 13.097 13.209 1.642 1.00 0.00 N ATOM 999 CA GLU A 307 12.632 14.609 1.538 1.00 0.00 C ATOM 1000 C GLU A 307 13.260 15.390 0.365 1.00 0.00 C ATOM 1001 O GLU A 307 12.491 15.958 -0.446 1.00 0.00 O ATOM 1002 CB GLU A 307 12.870 15.347 2.869 1.00 0.00 C ATOM 1003 CG GLU A 307 12.056 14.772 4.040 1.00 0.00 C ATOM 1004 CD GLU A 307 12.267 15.598 5.329 1.00 0.00 C ATOM 1005 OE1 GLU A 307 13.215 15.308 6.103 1.00 0.00 O ATOM 1006 OE2 GLU A 307 11.482 16.545 5.591 1.00 0.00 O ATOM 1007 OXT GLU A 307 14.507 15.457 0.266 1.00 0.00 O ATOM 0 H GLU A 307 13.774 13.074 2.393 1.00 0.00 H new ATOM 0 HA GLU A 307 11.564 14.562 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 307 13.931 15.302 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 307 12.617 16.400 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 307 10.997 14.763 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 307 12.350 13.737 4.216 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.278 4.862 1.161 1.00 0.00 N ATOM 1016 CA ALA B 1 -10.909 4.301 1.282 1.00 0.00 C ATOM 1017 C ALA B 1 -9.932 5.141 0.455 1.00 0.00 C ATOM 1018 O ALA B 1 -10.057 5.184 -0.771 1.00 0.00 O ATOM 1019 CB ALA B 1 -10.863 2.821 0.842 1.00 0.00 C ATOM 0 H1 ALA B 1 -12.976 4.095 1.239 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.438 5.554 1.921 1.00 0.00 H new ATOM 0 H3 ALA B 1 -12.381 5.331 0.239 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.615 4.337 2.331 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -9.846 2.443 0.944 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.533 2.234 1.470 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.178 2.741 -0.198 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.966 5.821 1.094 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.892 6.518 0.365 1.00 0.00 C ATOM 1029 C ARG B 2 -6.883 5.529 -0.227 1.00 0.00 C ATOM 1030 O ARG B 2 -6.649 4.442 0.311 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.156 7.550 1.236 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.949 8.852 1.404 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.107 9.907 2.134 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.795 11.211 2.184 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.715 12.190 1.287 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.995 12.082 0.188 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.374 13.311 1.486 1.00 0.00 N ATOM 0 H ARG B 2 -8.906 5.903 2.109 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.383 7.056 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.961 7.118 2.218 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.188 7.774 0.788 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.248 9.230 0.427 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.864 8.657 1.964 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.896 9.567 3.148 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.147 10.020 1.630 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.395 11.380 2.991 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.474 11.225 0.002 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.959 12.855 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.943 13.426 2.325 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.316 14.065 0.801 1.00 0.00 H new ATOM 1051 N THR B 3 -6.254 5.964 -1.316 1.00 0.00 N ATOM 1052 CA THR B 3 -5.245 5.246 -2.103 1.00 0.00 C ATOM 1053 C THR B 3 -4.173 6.222 -2.551 1.00 0.00 C ATOM 1054 O THR B 3 -4.457 7.393 -2.808 1.00 0.00 O ATOM 1055 CB THR B 3 -5.867 4.560 -3.328 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.785 5.418 -3.974 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.596 3.277 -2.936 1.00 0.00 C ATOM 0 H THR B 3 -6.446 6.889 -1.701 1.00 0.00 H new ATOM 0 HA THR B 3 -4.808 4.471 -1.474 1.00 0.00 H new ATOM 0 HB THR B 3 -5.048 4.318 -4.005 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.283 4.914 -4.651 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.025 2.816 -3.826 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.892 2.586 -2.472 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.392 3.512 -2.230 1.00 0.00 H new HETATM 1065 N M3L B 4 -2.947 5.719 -2.663 1.00 0.00 N HETATM 1066 CA M3L B 4 -1.781 6.464 -3.158 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.089 7.210 -1.990 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.236 6.284 -1.108 1.00 0.00 C HETATM 1069 CD M3L B 4 0.500 7.011 0.022 1.00 0.00 C HETATM 1070 CE M3L B 4 1.613 6.073 0.546 1.00 0.00 C HETATM 1071 NZ M3L B 4 2.345 6.544 1.735 1.00 0.00 N HETATM 1072 C M3L B 4 -0.808 5.571 -3.934 1.00 0.00 C HETATM 1073 O M3L B 4 -0.916 4.345 -3.937 1.00 0.00 O HETATM 1074 CM1 M3L B 4 1.469 6.647 2.899 1.00 0.00 C HETATM 1075 CM2 M3L B 4 2.986 7.836 1.505 1.00 0.00 C HETATM 1076 CM3 M3L B 4 3.382 5.563 2.044 1.00 0.00 C HETATM 0 HM33 M3L B 4 2.920 4.596 2.245 1.00 0.00 H new HETATM 0 HM32 M3L B 4 4.061 5.472 1.196 1.00 0.00 H new HETATM 0 HM31 M3L B 4 3.940 5.888 2.922 1.00 0.00 H new HETATM 0 HM23 M3L B 4 3.694 7.749 0.681 1.00 0.00 H new HETATM 0 HM22 M3L B 4 2.228 8.579 1.255 1.00 0.00 H new HETATM 0 HM21 M3L B 4 3.514 8.146 2.407 1.00 0.00 H new HETATM 0 HM13 M3L B 4 0.665 7.352 2.688 1.00 0.00 H new HETATM 0 HM12 M3L B 4 1.044 5.668 3.122 1.00 0.00 H new HETATM 0 HM11 M3L B 4 2.043 6.997 3.757 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -0.878 5.517 -0.676 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.495 5.773 -1.735 1.00 0.00 H new HETATM 0 HE3 M3L B 4 1.167 5.106 0.777 1.00 0.00 H new HETATM 0 HE2 M3L B 4 2.331 5.909 -0.257 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.928 7.945 -0.341 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.192 7.268 0.824 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.457 8.001 -2.395 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -1.848 7.692 -1.374 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.134 7.208 -3.872 1.00 0.00 H new ATOM 1096 N GLN B 5 0.193 6.217 -4.515 1.00 0.00 N ATOM 1097 CA GLN B 5 1.366 5.598 -5.123 1.00 0.00 C ATOM 1098 C GLN B 5 2.615 6.327 -4.611 1.00 0.00 C ATOM 1099 O GLN B 5 2.564 7.528 -4.323 1.00 0.00 O ATOM 1100 CB GLN B 5 1.270 5.672 -6.658 1.00 0.00 C ATOM 1101 CG GLN B 5 0.135 4.803 -7.225 1.00 0.00 C ATOM 1102 CD GLN B 5 0.024 4.900 -8.750 1.00 0.00 C ATOM 1103 OE1 GLN B 5 0.015 5.973 -9.340 1.00 0.00 O ATOM 1104 NE2 GLN B 5 -0.075 3.790 -9.455 1.00 0.00 N ATOM 0 H GLN B 5 0.212 7.235 -4.579 1.00 0.00 H new ATOM 0 HA GLN B 5 1.424 4.545 -4.849 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.113 6.708 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.217 5.354 -7.093 1.00 0.00 H new ATOM 0 HG2 GLN B 5 0.302 3.764 -6.942 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -0.810 5.108 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -0.070 2.885 -8.985 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -0.157 3.837 -10.471 1.00 0.00 H new ATOM 1113 N THR B 6 3.735 5.607 -4.499 1.00 0.00 N ATOM 1114 CA THR B 6 5.028 6.143 -4.043 1.00 0.00 C ATOM 1115 C THR B 6 6.182 5.432 -4.763 1.00 0.00 C ATOM 1116 O THR B 6 5.947 4.688 -5.717 1.00 0.00 O ATOM 1117 CB THR B 6 5.098 6.127 -2.507 1.00 0.00 C ATOM 1118 OG1 THR B 6 6.155 6.955 -2.075 1.00 0.00 O ATOM 1119 CG2 THR B 6 5.309 4.735 -1.919 1.00 0.00 C ATOM 0 H THR B 6 3.773 4.613 -4.727 1.00 0.00 H new ATOM 0 HA THR B 6 5.129 7.193 -4.319 1.00 0.00 H new ATOM 0 HB THR B 6 4.132 6.488 -2.155 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.198 6.946 -1.096 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.348 4.801 -0.832 1.00 0.00 H new ATOM 0 HG22 THR B 6 4.484 4.087 -2.213 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.246 4.321 -2.291 1.00 0.00 H new ATOM 1127 N ALA B 7 7.425 5.659 -4.338 1.00 0.00 N ATOM 1128 CA ALA B 7 8.634 5.082 -4.933 1.00 0.00 C ATOM 1129 C ALA B 7 9.788 4.997 -3.919 1.00 0.00 C ATOM 1130 O ALA B 7 9.995 5.913 -3.119 1.00 0.00 O ATOM 1131 CB ALA B 7 9.025 5.910 -6.167 1.00 0.00 C ATOM 0 H ALA B 7 7.626 6.269 -3.545 1.00 0.00 H new ATOM 0 HA ALA B 7 8.424 4.057 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA B 7 9.924 5.489 -6.618 1.00 0.00 H new ATOM 0 HB2 ALA B 7 8.211 5.889 -6.892 1.00 0.00 H new ATOM 0 HB3 ALA B 7 9.217 6.940 -5.868 1.00 0.00 H new ATOM 1137 N ARG B 8 10.548 3.895 -3.977 1.00 0.00 N ATOM 1138 CA ARG B 8 11.683 3.604 -3.078 1.00 0.00 C ATOM 1139 C ARG B 8 13.043 4.080 -3.633 1.00 0.00 C ATOM 1140 O ARG B 8 14.060 3.975 -2.945 1.00 0.00 O ATOM 1141 CB ARG B 8 11.700 2.099 -2.741 1.00 0.00 C ATOM 1142 CG ARG B 8 10.427 1.657 -1.996 1.00 0.00 C ATOM 1143 CD ARG B 8 10.445 0.164 -1.635 1.00 0.00 C ATOM 1144 NE ARG B 8 11.394 -0.136 -0.544 1.00 0.00 N ATOM 1145 CZ ARG B 8 11.144 -0.096 0.761 1.00 0.00 C ATOM 1146 NH1 ARG B 8 9.972 0.263 1.243 1.00 0.00 N ATOM 1147 NH2 ARG B 8 12.089 -0.425 1.615 1.00 0.00 N ATOM 0 H ARG B 8 10.390 3.160 -4.666 1.00 0.00 H new ATOM 0 HA ARG B 8 11.533 4.178 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG B 8 11.799 1.523 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG B 8 12.574 1.875 -2.129 1.00 0.00 H new ATOM 0 HG2 ARG B 8 10.320 2.246 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG B 8 9.556 1.867 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG B 8 9.444 -0.148 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG B 8 10.713 -0.418 -2.517 1.00 0.00 H new ATOM 0 HE ARG B 8 12.339 -0.401 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG B 8 9.217 0.523 0.608 1.00 0.00 H new ATOM 0 HH12 ARG B 8 9.819 0.281 2.251 1.00 0.00 H new ATOM 0 HH21 ARG B 8 13.008 -0.709 1.275 1.00 0.00 H new ATOM 0 HH22 ARG B 8 11.903 -0.396 2.617 1.00 0.00 H new ATOM 1161 N LYS B 9 13.066 4.617 -4.859 1.00 0.00 N ATOM 1162 CA LYS B 9 14.227 5.203 -5.555 1.00 0.00 C ATOM 1163 C LYS B 9 13.796 6.093 -6.746 1.00 0.00 C ATOM 1164 O LYS B 9 12.614 6.118 -7.110 1.00 0.00 O ATOM 1165 CB LYS B 9 15.233 4.106 -5.977 1.00 0.00 C ATOM 1166 CG LYS B 9 14.695 3.062 -6.977 1.00 0.00 C ATOM 1167 CD LYS B 9 14.244 1.733 -6.344 1.00 0.00 C ATOM 1168 CE LYS B 9 15.349 0.958 -5.600 1.00 0.00 C ATOM 1169 NZ LYS B 9 16.527 0.665 -6.463 1.00 0.00 N ATOM 0 H LYS B 9 12.223 4.658 -5.431 1.00 0.00 H new ATOM 0 HA LYS B 9 14.739 5.859 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.107 4.588 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS B 9 15.573 3.585 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.852 3.496 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS B 9 15.470 2.852 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.432 1.937 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.838 1.094 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.673 1.536 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.939 0.021 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 17.034 -0.162 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.206 0.466 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 17.164 1.487 -6.471 1.00 0.00 H new ATOM 1183 N SER B 10 14.758 6.793 -7.364 1.00 0.00 N ATOM 1184 CA SER B 10 14.565 7.775 -8.455 1.00 0.00 C ATOM 1185 C SER B 10 15.697 7.731 -9.487 1.00 0.00 C ATOM 1186 O SER B 10 15.399 7.865 -10.695 1.00 0.00 O ATOM 1187 CB SER B 10 14.472 9.198 -7.889 1.00 0.00 C ATOM 1188 OG SER B 10 13.405 9.298 -6.957 1.00 0.00 O ATOM 1189 OXT SER B 10 16.873 7.569 -9.088 1.00 0.00 O ATOM 0 H SER B 10 15.740 6.689 -7.109 1.00 0.00 H new ATOM 0 HA SER B 10 13.634 7.504 -8.953 1.00 0.00 H new ATOM 0 HB2 SER B 10 15.411 9.464 -7.404 1.00 0.00 H new ATOM 0 HB3 SER B 10 14.320 9.909 -8.701 1.00 0.00 H new ATOM 0 HG SER B 10 13.362 10.212 -6.606 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.488 -1.242 9.718 1.00 0.00 ZN