USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 314 HIS : no HD1:sc= -10.3! C(o=-13!,f=-6!) USER MOD Set 1.2: A 318 GLN : amide:sc= -2.89! K(o=-13!,f=-6) USER MOD Single : A 270 GLN : amide:sc= -3.65! C(o=-3.6!,f=-10!) USER MOD Single : A 272 SER OG : rot -89:sc= 1.04 USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 275 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 THR OG1 : rot -53:sc= 1.12 USER MOD Single : A 280 THR OG1 : rot 180:sc= 0 USER MOD Single : A 282 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 283 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 286 ASN : amide:sc= -9.04! C(o=-9!,f=-11!) USER MOD Single : A 289 SER OG : rot 55:sc= 0.978 USER MOD Single : A 298 THR OG1 : rot 180:sc= 0 USER MOD Single : A 305 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 306 SER OG : rot -62:sc= 1.14 USER MOD Single : A 307 THR OG1 : rot -32:sc= 0.632 USER MOD Single : A 309 THR OG1 : rot 180:sc= -0.812 USER MOD Single : A 315 SER OG : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00403) USER MOD Single : A 321 THR OG1 : rot -65:sc= -0.855! USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 336 ASN : amide:sc= -6.36! C(o=-6.4!,f=-11!) USER MOD Single : A 341 GLN : amide:sc= -7.29! K(o=-7.3!,f=-1.9) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 268 6.166 13.036 6.777 1.00 0.00 N ATOM 63 CA ALA A 268 6.507 12.955 5.363 1.00 0.00 C ATOM 64 C ALA A 268 7.213 11.633 5.051 1.00 0.00 C ATOM 65 O ALA A 268 7.170 11.149 3.920 1.00 0.00 O ATOM 66 CB ALA A 268 7.385 14.136 4.963 1.00 0.00 C ATOM 0 HA ALA A 268 5.585 12.994 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 268 7.633 14.063 3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 268 6.849 15.067 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 268 8.302 14.123 5.552 1.00 0.00 H new ATOM 72 N ARG A 269 7.843 11.038 6.070 1.00 0.00 N ATOM 73 CA ARG A 269 8.536 9.763 5.917 1.00 0.00 C ATOM 74 C ARG A 269 7.667 8.755 5.189 1.00 0.00 C ATOM 75 O ARG A 269 8.067 8.180 4.176 1.00 0.00 O ATOM 76 CB ARG A 269 8.903 9.197 7.292 1.00 0.00 C ATOM 77 CG ARG A 269 10.360 8.798 7.411 1.00 0.00 C ATOM 78 CD ARG A 269 11.281 9.982 7.174 1.00 0.00 C ATOM 79 NE ARG A 269 12.110 10.266 8.342 1.00 0.00 N ATOM 80 CZ ARG A 269 13.414 10.527 8.288 1.00 0.00 C ATOM 81 NH1 ARG A 269 14.053 10.556 7.123 1.00 0.00 N ATOM 82 NH2 ARG A 269 14.082 10.763 9.407 1.00 0.00 N ATOM 0 H ARG A 269 7.885 11.425 7.013 1.00 0.00 H new ATOM 0 HA ARG A 269 9.439 9.942 5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 269 8.675 9.941 8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 269 8.278 8.328 7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 269 10.545 8.384 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 269 10.583 8.012 6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 269 11.921 9.779 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 269 10.686 10.862 6.928 1.00 0.00 H new ATOM 0 HE ARG A 269 11.661 10.264 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 269 13.544 10.377 6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 269 15.053 10.757 7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 269 13.597 10.744 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 269 15.081 10.964 9.372 1.00 0.00 H new ATOM 96 N GLN A 270 6.474 8.541 5.723 1.00 0.00 N ATOM 97 CA GLN A 270 5.539 7.600 5.146 1.00 0.00 C ATOM 98 C GLN A 270 5.353 7.860 3.655 1.00 0.00 C ATOM 99 O GLN A 270 5.473 6.944 2.844 1.00 0.00 O ATOM 100 CB GLN A 270 4.209 7.694 5.882 1.00 0.00 C ATOM 101 CG GLN A 270 4.335 7.581 7.393 1.00 0.00 C ATOM 102 CD GLN A 270 5.308 6.510 7.832 1.00 0.00 C ATOM 103 OE1 GLN A 270 6.504 6.592 7.553 1.00 0.00 O ATOM 104 NE2 GLN A 270 4.803 5.504 8.528 1.00 0.00 N ATOM 0 H GLN A 270 6.133 9.012 6.561 1.00 0.00 H new ATOM 0 HA GLN A 270 5.938 6.591 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 270 3.735 8.644 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 270 3.548 6.905 5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 270 4.655 8.541 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 270 3.354 7.368 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 270 3.805 5.478 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 270 5.412 4.755 8.857 1.00 0.00 H new ATOM 113 N LEU A 271 5.071 9.110 3.294 1.00 0.00 N ATOM 114 CA LEU A 271 4.878 9.465 1.890 1.00 0.00 C ATOM 115 C LEU A 271 6.086 9.111 1.064 1.00 0.00 C ATOM 116 O LEU A 271 5.965 8.723 -0.094 1.00 0.00 O ATOM 117 CB LEU A 271 4.538 10.947 1.741 1.00 0.00 C ATOM 118 CG LEU A 271 3.047 11.249 1.617 1.00 0.00 C ATOM 119 CD1 LEU A 271 2.630 11.333 0.159 1.00 0.00 C ATOM 120 CD2 LEU A 271 2.220 10.198 2.334 1.00 0.00 C ATOM 0 H LEU A 271 4.972 9.887 3.947 1.00 0.00 H new ATOM 0 HA LEU A 271 4.035 8.883 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 271 4.934 11.485 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 271 5.048 11.336 0.860 1.00 0.00 H new ATOM 0 HG LEU A 271 2.865 12.215 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 271 1.563 11.549 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 271 3.190 12.127 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 271 2.837 10.383 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 271 1.161 10.436 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 271 2.417 9.219 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 271 2.487 10.183 3.391 1.00 0.00 H new ATOM 132 N SER A 272 7.242 9.207 1.667 1.00 0.00 N ATOM 133 CA SER A 272 8.461 8.850 0.974 1.00 0.00 C ATOM 134 C SER A 272 8.438 7.355 0.710 1.00 0.00 C ATOM 135 O SER A 272 8.830 6.886 -0.359 1.00 0.00 O ATOM 136 CB SER A 272 9.693 9.232 1.796 1.00 0.00 C ATOM 137 OG SER A 272 10.039 8.204 2.709 1.00 0.00 O ATOM 0 H SER A 272 7.370 9.526 2.627 1.00 0.00 H new ATOM 0 HA SER A 272 8.519 9.396 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 272 10.532 9.427 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 272 9.498 10.156 2.341 1.00 0.00 H new ATOM 0 HG SER A 272 9.564 8.344 3.554 1.00 0.00 H new ATOM 143 N LYS A 273 7.966 6.617 1.707 1.00 0.00 N ATOM 144 CA LYS A 273 7.869 5.174 1.627 1.00 0.00 C ATOM 145 C LYS A 273 6.841 4.735 0.589 1.00 0.00 C ATOM 146 O LYS A 273 7.169 4.020 -0.351 1.00 0.00 O ATOM 147 CB LYS A 273 7.491 4.615 3.002 1.00 0.00 C ATOM 148 CG LYS A 273 8.440 3.535 3.491 1.00 0.00 C ATOM 149 CD LYS A 273 8.607 3.565 4.999 1.00 0.00 C ATOM 150 CE LYS A 273 9.400 2.363 5.497 1.00 0.00 C ATOM 151 NZ LYS A 273 9.575 2.382 6.976 1.00 0.00 N ATOM 0 H LYS A 273 7.641 7.007 2.592 1.00 0.00 H new ATOM 0 HA LYS A 273 8.839 4.784 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 273 7.474 5.430 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 273 6.481 4.208 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 273 8.065 2.558 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 273 9.412 3.665 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 273 9.115 4.484 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 273 7.626 3.578 5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 273 8.889 1.446 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 273 10.378 2.350 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 10.120 1.547 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 10.085 3.244 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 8.642 2.368 7.436 1.00 0.00 H new ATOM 165 N LEU A 274 5.594 5.151 0.773 1.00 0.00 N ATOM 166 CA LEU A 274 4.517 4.770 -0.142 1.00 0.00 C ATOM 167 C LEU A 274 4.767 5.271 -1.558 1.00 0.00 C ATOM 168 O LEU A 274 4.735 4.495 -2.512 1.00 0.00 O ATOM 169 CB LEU A 274 3.166 5.295 0.353 1.00 0.00 C ATOM 170 CG LEU A 274 3.057 5.526 1.862 1.00 0.00 C ATOM 171 CD1 LEU A 274 1.618 5.727 2.274 1.00 0.00 C ATOM 172 CD2 LEU A 274 3.648 4.365 2.637 1.00 0.00 C ATOM 0 H LEU A 274 5.301 5.751 1.544 1.00 0.00 H new ATOM 0 HA LEU A 274 4.496 3.680 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 274 2.953 6.235 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 274 2.391 4.589 0.055 1.00 0.00 H new ATOM 0 HG LEU A 274 3.623 6.428 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 274 1.567 5.889 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 274 1.209 6.595 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 274 1.038 4.842 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 274 3.556 4.557 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 274 3.112 3.450 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 274 4.701 4.253 2.377 1.00 0.00 H new ATOM 184 N LYS A 275 4.998 6.570 -1.699 1.00 0.00 N ATOM 185 CA LYS A 275 5.228 7.158 -3.013 1.00 0.00 C ATOM 186 C LYS A 275 6.251 6.362 -3.809 1.00 0.00 C ATOM 187 O LYS A 275 6.075 6.139 -5.004 1.00 0.00 O ATOM 188 CB LYS A 275 5.681 8.608 -2.886 1.00 0.00 C ATOM 189 CG LYS A 275 5.141 9.501 -3.986 1.00 0.00 C ATOM 190 CD LYS A 275 3.656 9.763 -3.801 1.00 0.00 C ATOM 191 CE LYS A 275 2.893 9.598 -5.103 1.00 0.00 C ATOM 192 NZ LYS A 275 1.422 9.703 -4.900 1.00 0.00 N ATOM 0 H LYS A 275 5.031 7.233 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 275 4.281 7.129 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 275 5.361 8.999 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 275 6.770 8.644 -2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 275 5.682 10.447 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 275 5.312 9.033 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 275 3.255 9.077 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 275 3.509 10.773 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 275 3.217 10.359 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 275 3.131 8.630 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 275 0.936 9.585 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 275 1.108 8.961 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 275 1.192 10.637 -4.504 1.00 0.00 H new ATOM 206 N ARG A 276 7.318 5.935 -3.147 1.00 0.00 N ATOM 207 CA ARG A 276 8.356 5.164 -3.812 1.00 0.00 C ATOM 208 C ARG A 276 8.002 3.680 -3.833 1.00 0.00 C ATOM 209 O ARG A 276 8.079 3.025 -4.871 1.00 0.00 O ATOM 210 CB ARG A 276 9.705 5.368 -3.118 1.00 0.00 C ATOM 211 CG ARG A 276 10.890 4.920 -3.963 1.00 0.00 C ATOM 212 CD ARG A 276 12.215 5.389 -3.380 1.00 0.00 C ATOM 213 NE ARG A 276 12.852 6.407 -4.217 1.00 0.00 N ATOM 214 CZ ARG A 276 14.170 6.580 -4.312 1.00 0.00 C ATOM 215 NH1 ARG A 276 15.005 5.810 -3.622 1.00 0.00 N ATOM 216 NH2 ARG A 276 14.657 7.531 -5.097 1.00 0.00 N ATOM 0 H ARG A 276 7.486 6.109 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 276 8.430 5.518 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 276 9.822 6.423 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 276 9.709 4.817 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 276 10.891 3.833 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 276 10.781 5.309 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 276 12.049 5.793 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 276 12.886 4.537 -3.272 1.00 0.00 H new ATOM 0 HE ARG A 276 12.249 7.023 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 276 14.639 5.079 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 276 16.012 5.950 -3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 276 14.023 8.129 -5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 276 15.666 7.665 -5.171 1.00 0.00 H new ATOM 230 N PHE A 277 7.641 3.155 -2.671 1.00 0.00 N ATOM 231 CA PHE A 277 7.306 1.745 -2.530 1.00 0.00 C ATOM 232 C PHE A 277 6.239 1.279 -3.518 1.00 0.00 C ATOM 233 O PHE A 277 6.258 0.132 -3.965 1.00 0.00 O ATOM 234 CB PHE A 277 6.845 1.455 -1.104 1.00 0.00 C ATOM 235 CG PHE A 277 6.933 0.010 -0.771 1.00 0.00 C ATOM 236 CD1 PHE A 277 8.167 -0.587 -0.626 1.00 0.00 C ATOM 237 CD2 PHE A 277 5.794 -0.758 -0.642 1.00 0.00 C ATOM 238 CE1 PHE A 277 8.269 -1.928 -0.353 1.00 0.00 C ATOM 239 CE2 PHE A 277 5.887 -2.103 -0.375 1.00 0.00 C ATOM 240 CZ PHE A 277 7.122 -2.689 -0.232 1.00 0.00 C ATOM 0 H PHE A 277 7.572 3.690 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 277 8.215 1.187 -2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 277 7.454 2.026 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 277 5.816 1.793 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 277 9.063 0.007 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 277 4.823 -0.299 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 277 9.240 -2.386 -0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 277 4.991 -2.698 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 277 7.196 -3.746 -0.025 1.00 0.00 H new ATOM 250 N LEU A 278 5.305 2.154 -3.839 1.00 0.00 N ATOM 251 CA LEU A 278 4.218 1.810 -4.756 1.00 0.00 C ATOM 252 C LEU A 278 4.682 1.797 -6.215 1.00 0.00 C ATOM 253 O LEU A 278 4.093 1.114 -7.054 1.00 0.00 O ATOM 254 CB LEU A 278 3.057 2.791 -4.583 1.00 0.00 C ATOM 255 CG LEU A 278 2.554 2.952 -3.148 1.00 0.00 C ATOM 256 CD1 LEU A 278 1.894 4.309 -2.959 1.00 0.00 C ATOM 257 CD2 LEU A 278 1.588 1.837 -2.793 1.00 0.00 C ATOM 0 H LEU A 278 5.271 3.109 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 278 3.885 0.802 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 278 3.368 3.767 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 278 2.227 2.462 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 278 3.411 2.892 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 278 1.543 4.403 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 278 2.617 5.097 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 278 1.048 4.400 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 278 1.241 1.969 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 278 0.735 1.865 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 278 2.093 0.875 -2.884 1.00 0.00 H new ATOM 269 N THR A 279 5.716 2.577 -6.516 1.00 0.00 N ATOM 270 CA THR A 279 6.240 2.688 -7.880 1.00 0.00 C ATOM 271 C THR A 279 6.514 1.333 -8.524 1.00 0.00 C ATOM 272 O THR A 279 6.180 1.118 -9.689 1.00 0.00 O ATOM 273 CB THR A 279 7.525 3.513 -7.891 1.00 0.00 C ATOM 274 OG1 THR A 279 8.597 2.777 -7.331 1.00 0.00 O ATOM 275 CG2 THR A 279 7.408 4.807 -7.125 1.00 0.00 C ATOM 0 H THR A 279 6.213 3.146 -5.831 1.00 0.00 H new ATOM 0 HA THR A 279 5.465 3.183 -8.465 1.00 0.00 H new ATOM 0 HB THR A 279 7.711 3.746 -8.939 1.00 0.00 H new ATOM 0 HG1 THR A 279 8.339 2.446 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 279 8.355 5.345 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 279 6.620 5.420 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 279 7.164 4.593 -6.084 1.00 0.00 H new ATOM 283 N THR A 280 7.140 0.428 -7.783 1.00 0.00 N ATOM 284 CA THR A 280 7.466 -0.886 -8.324 1.00 0.00 C ATOM 285 C THR A 280 6.276 -1.826 -8.259 1.00 0.00 C ATOM 286 O THR A 280 6.082 -2.654 -9.145 1.00 0.00 O ATOM 287 CB THR A 280 8.622 -1.495 -7.547 1.00 0.00 C ATOM 288 OG1 THR A 280 9.066 -2.694 -8.152 1.00 0.00 O ATOM 289 CG2 THR A 280 8.265 -1.807 -6.117 1.00 0.00 C ATOM 0 H THR A 280 7.430 0.576 -6.816 1.00 0.00 H new ATOM 0 HA THR A 280 7.745 -0.752 -9.369 1.00 0.00 H new ATOM 0 HB THR A 280 9.409 -0.741 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 280 9.811 -3.065 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 280 9.129 -2.239 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 280 7.969 -0.890 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 280 7.439 -2.518 -6.095 1.00 0.00 H new ATOM 297 N LEU A 281 5.494 -1.704 -7.196 1.00 0.00 N ATOM 298 CA LEU A 281 4.336 -2.555 -6.996 1.00 0.00 C ATOM 299 C LEU A 281 3.396 -2.496 -8.194 1.00 0.00 C ATOM 300 O LEU A 281 2.900 -3.522 -8.655 1.00 0.00 O ATOM 301 CB LEU A 281 3.612 -2.144 -5.708 1.00 0.00 C ATOM 302 CG LEU A 281 4.322 -2.549 -4.413 1.00 0.00 C ATOM 303 CD1 LEU A 281 3.542 -2.071 -3.200 1.00 0.00 C ATOM 304 CD2 LEU A 281 4.528 -4.060 -4.354 1.00 0.00 C ATOM 0 H LEU A 281 5.644 -1.018 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 281 4.672 -3.587 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 281 3.482 -1.062 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 281 2.615 -2.585 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 281 5.302 -2.071 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 281 4.064 -2.369 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 281 3.455 -0.985 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 281 2.547 -2.515 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 281 5.034 -4.322 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 281 3.561 -4.561 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 281 5.137 -4.378 -5.201 1.00 0.00 H new ATOM 316 N GLN A 282 3.161 -1.292 -8.696 1.00 0.00 N ATOM 317 CA GLN A 282 2.281 -1.099 -9.843 1.00 0.00 C ATOM 318 C GLN A 282 2.816 -1.808 -11.083 1.00 0.00 C ATOM 319 O GLN A 282 2.077 -2.515 -11.768 1.00 0.00 O ATOM 320 CB GLN A 282 2.110 0.395 -10.124 1.00 0.00 C ATOM 321 CG GLN A 282 0.939 0.719 -11.039 1.00 0.00 C ATOM 322 CD GLN A 282 0.885 2.188 -11.411 1.00 0.00 C ATOM 323 OE1 GLN A 282 1.619 3.007 -10.859 1.00 0.00 O ATOM 324 NE2 GLN A 282 0.012 2.529 -12.352 1.00 0.00 N ATOM 0 H GLN A 282 3.567 -0.432 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 282 1.312 -1.536 -9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 282 1.976 0.920 -9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 282 3.026 0.778 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 282 1.014 0.120 -11.946 1.00 0.00 H new ATOM 0 HG3 GLN A 282 0.008 0.437 -10.547 1.00 0.00 H new ATOM 0 HE21 GLN A 282 -0.577 1.817 -12.783 1.00 0.00 H new ATOM 0 HE22 GLN A 282 -0.069 3.503 -12.643 1.00 0.00 H new ATOM 333 N GLN A 283 4.096 -1.613 -11.369 1.00 0.00 N ATOM 334 CA GLN A 283 4.721 -2.230 -12.535 1.00 0.00 C ATOM 335 C GLN A 283 5.030 -3.703 -12.295 1.00 0.00 C ATOM 336 O GLN A 283 5.108 -4.486 -13.243 1.00 0.00 O ATOM 337 CB GLN A 283 6.000 -1.481 -12.919 1.00 0.00 C ATOM 338 CG GLN A 283 5.758 -0.326 -13.877 1.00 0.00 C ATOM 339 CD GLN A 283 7.041 0.266 -14.425 1.00 0.00 C ATOM 340 OE1 GLN A 283 7.350 0.118 -15.606 1.00 0.00 O ATOM 341 NE2 GLN A 283 7.795 0.943 -13.567 1.00 0.00 N ATOM 0 H GLN A 283 4.723 -1.033 -10.811 1.00 0.00 H new ATOM 0 HA GLN A 283 4.009 -2.166 -13.358 1.00 0.00 H new ATOM 0 HB2 GLN A 283 6.475 -1.100 -12.015 1.00 0.00 H new ATOM 0 HB3 GLN A 283 6.699 -2.181 -13.375 1.00 0.00 H new ATOM 0 HG2 GLN A 283 5.141 -0.672 -14.706 1.00 0.00 H new ATOM 0 HG3 GLN A 283 5.195 0.453 -13.363 1.00 0.00 H new ATOM 0 HE21 GLN A 283 7.500 1.041 -12.596 1.00 0.00 H new ATOM 0 HE22 GLN A 283 8.669 1.365 -13.879 1.00 0.00 H new ATOM 350 N PHE A 284 5.200 -4.082 -11.034 1.00 0.00 N ATOM 351 CA PHE A 284 5.491 -5.465 -10.699 1.00 0.00 C ATOM 352 C PHE A 284 4.363 -6.371 -11.176 1.00 0.00 C ATOM 353 O PHE A 284 4.581 -7.536 -11.506 1.00 0.00 O ATOM 354 CB PHE A 284 5.692 -5.613 -9.190 1.00 0.00 C ATOM 355 CG PHE A 284 6.783 -6.580 -8.826 1.00 0.00 C ATOM 356 CD1 PHE A 284 6.803 -7.859 -9.357 1.00 0.00 C ATOM 357 CD2 PHE A 284 7.793 -6.203 -7.956 1.00 0.00 C ATOM 358 CE1 PHE A 284 7.810 -8.745 -9.025 1.00 0.00 C ATOM 359 CE2 PHE A 284 8.801 -7.086 -7.622 1.00 0.00 C ATOM 360 CZ PHE A 284 8.810 -8.358 -8.157 1.00 0.00 C ATOM 0 H PHE A 284 5.141 -3.453 -10.233 1.00 0.00 H new ATOM 0 HA PHE A 284 6.411 -5.761 -11.202 1.00 0.00 H new ATOM 0 HB2 PHE A 284 5.925 -4.637 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 284 4.757 -5.944 -8.737 1.00 0.00 H new ATOM 0 HD1 PHE A 284 6.023 -8.167 -10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 284 7.792 -5.209 -7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 284 7.814 -9.740 -9.445 1.00 0.00 H new ATOM 0 HE2 PHE A 284 9.582 -6.781 -6.942 1.00 0.00 H new ATOM 0 HZ PHE A 284 9.598 -9.049 -7.897 1.00 0.00 H new ATOM 370 N GLY A 285 3.155 -5.819 -11.217 1.00 0.00 N ATOM 371 CA GLY A 285 2.007 -6.580 -11.660 1.00 0.00 C ATOM 372 C GLY A 285 1.439 -6.072 -12.969 1.00 0.00 C ATOM 373 O GLY A 285 0.344 -6.466 -13.369 1.00 0.00 O ATOM 0 H GLY A 285 2.953 -4.856 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 285 2.291 -7.626 -11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 285 1.233 -6.542 -10.894 1.00 0.00 H new ATOM 377 N ASN A 286 2.179 -5.196 -13.643 1.00 0.00 N ATOM 378 CA ASN A 286 1.729 -4.640 -14.914 1.00 0.00 C ATOM 379 C ASN A 286 1.873 -5.653 -16.050 1.00 0.00 C ATOM 380 O ASN A 286 2.125 -5.277 -17.194 1.00 0.00 O ATOM 381 CB ASN A 286 2.514 -3.370 -15.245 1.00 0.00 C ATOM 382 CG ASN A 286 1.829 -2.127 -14.714 1.00 0.00 C ATOM 383 OD1 ASN A 286 0.639 -2.147 -14.424 1.00 0.00 O ATOM 384 ND2 ASN A 286 2.574 -1.040 -14.583 1.00 0.00 N ATOM 0 H ASN A 286 3.089 -4.857 -13.331 1.00 0.00 H new ATOM 0 HA ASN A 286 0.672 -4.394 -14.812 1.00 0.00 H new ATOM 0 HB2 ASN A 286 3.516 -3.442 -14.821 1.00 0.00 H new ATOM 0 HB3 ASN A 286 2.631 -3.287 -16.326 1.00 0.00 H new ATOM 0 HD21 ASN A 286 2.160 -0.178 -14.229 1.00 0.00 H new ATOM 0 HD22 ASN A 286 3.562 -1.065 -14.836 1.00 0.00 H new ATOM 391 N ASP A 287 1.718 -6.938 -15.732 1.00 0.00 N ATOM 392 CA ASP A 287 1.840 -7.986 -16.738 1.00 0.00 C ATOM 393 C ASP A 287 0.873 -9.147 -16.482 1.00 0.00 C ATOM 394 O ASP A 287 0.884 -10.133 -17.219 1.00 0.00 O ATOM 395 CB ASP A 287 3.278 -8.507 -16.776 1.00 0.00 C ATOM 396 CG ASP A 287 3.842 -8.549 -18.182 1.00 0.00 C ATOM 397 OD1 ASP A 287 4.202 -7.475 -18.710 1.00 0.00 O ATOM 398 OD2 ASP A 287 3.925 -9.656 -18.755 1.00 0.00 O ATOM 0 H ASP A 287 1.509 -7.274 -14.792 1.00 0.00 H new ATOM 0 HA ASP A 287 1.579 -7.547 -17.701 1.00 0.00 H new ATOM 0 HB2 ASP A 287 3.908 -7.871 -16.154 1.00 0.00 H new ATOM 0 HB3 ASP A 287 3.310 -9.508 -16.345 1.00 0.00 H new ATOM 403 N ILE A 288 0.033 -9.035 -15.451 1.00 0.00 N ATOM 404 CA ILE A 288 -0.922 -10.085 -15.146 1.00 0.00 C ATOM 405 C ILE A 288 -2.132 -9.976 -16.074 1.00 0.00 C ATOM 406 O ILE A 288 -2.710 -10.984 -16.481 1.00 0.00 O ATOM 407 CB ILE A 288 -1.365 -10.014 -13.671 1.00 0.00 C ATOM 408 CG1 ILE A 288 -0.251 -10.486 -12.747 1.00 0.00 C ATOM 409 CG2 ILE A 288 -2.632 -10.817 -13.445 1.00 0.00 C ATOM 410 CD1 ILE A 288 -0.485 -10.114 -11.297 1.00 0.00 C ATOM 0 H ILE A 288 -0.001 -8.233 -14.822 1.00 0.00 H new ATOM 0 HA ILE A 288 -0.439 -11.049 -15.306 1.00 0.00 H new ATOM 0 HB ILE A 288 -1.581 -8.972 -13.435 1.00 0.00 H new ATOM 0 HG12 ILE A 288 -0.155 -11.569 -12.827 1.00 0.00 H new ATOM 0 HG13 ILE A 288 0.694 -10.056 -13.078 1.00 0.00 H new ATOM 0 HG21 ILE A 288 -2.923 -10.750 -12.397 1.00 0.00 H new ATOM 0 HG22 ILE A 288 -3.432 -10.419 -14.070 1.00 0.00 H new ATOM 0 HG23 ILE A 288 -2.453 -11.860 -13.706 1.00 0.00 H new ATOM 0 HD11 ILE A 288 0.344 -10.478 -10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 288 -0.553 -9.030 -11.206 1.00 0.00 H new ATOM 0 HD13 ILE A 288 -1.415 -10.566 -10.951 1.00 0.00 H new ATOM 422 N SER A 289 -2.496 -8.739 -16.411 1.00 0.00 N ATOM 423 CA SER A 289 -3.625 -8.477 -17.305 1.00 0.00 C ATOM 424 C SER A 289 -3.799 -6.973 -17.519 1.00 0.00 C ATOM 425 O SER A 289 -3.301 -6.168 -16.734 1.00 0.00 O ATOM 426 CB SER A 289 -4.917 -9.076 -16.740 1.00 0.00 C ATOM 427 OG SER A 289 -5.190 -10.341 -17.319 1.00 0.00 O ATOM 0 H SER A 289 -2.024 -7.899 -16.077 1.00 0.00 H new ATOM 0 HA SER A 289 -3.413 -8.949 -18.264 1.00 0.00 H new ATOM 0 HB2 SER A 289 -4.831 -9.179 -15.658 1.00 0.00 H new ATOM 0 HB3 SER A 289 -5.749 -8.398 -16.931 1.00 0.00 H new ATOM 0 HG SER A 289 -4.415 -10.929 -17.200 1.00 0.00 H new ATOM 433 N PRO A 290 -4.512 -6.568 -18.585 1.00 0.00 N ATOM 434 CA PRO A 290 -4.743 -5.150 -18.882 1.00 0.00 C ATOM 435 C PRO A 290 -5.404 -4.409 -17.719 1.00 0.00 C ATOM 436 O PRO A 290 -5.430 -3.179 -17.694 1.00 0.00 O ATOM 437 CB PRO A 290 -5.678 -5.171 -20.102 1.00 0.00 C ATOM 438 CG PRO A 290 -6.204 -6.565 -20.179 1.00 0.00 C ATOM 439 CD PRO A 290 -5.145 -7.446 -19.582 1.00 0.00 C ATOM 0 HA PRO A 290 -3.806 -4.624 -19.062 1.00 0.00 H new ATOM 0 HB2 PRO A 290 -6.489 -4.452 -19.987 1.00 0.00 H new ATOM 0 HB3 PRO A 290 -5.141 -4.904 -21.012 1.00 0.00 H new ATOM 0 HG2 PRO A 290 -7.142 -6.658 -19.631 1.00 0.00 H new ATOM 0 HG3 PRO A 290 -6.409 -6.847 -21.212 1.00 0.00 H new ATOM 0 HD2 PRO A 290 -5.572 -8.337 -19.122 1.00 0.00 H new ATOM 0 HD3 PRO A 290 -4.431 -7.786 -20.333 1.00 0.00 H new ATOM 447 N GLU A 291 -5.943 -5.163 -16.763 1.00 0.00 N ATOM 448 CA GLU A 291 -6.609 -4.580 -15.603 1.00 0.00 C ATOM 449 C GLU A 291 -5.628 -4.314 -14.472 1.00 0.00 C ATOM 450 O GLU A 291 -5.654 -3.257 -13.849 1.00 0.00 O ATOM 451 CB GLU A 291 -7.706 -5.523 -15.118 1.00 0.00 C ATOM 452 CG GLU A 291 -9.091 -5.051 -15.493 1.00 0.00 C ATOM 453 CD GLU A 291 -10.181 -5.796 -14.753 1.00 0.00 C ATOM 454 OE1 GLU A 291 -9.990 -6.090 -13.555 1.00 0.00 O ATOM 455 OE2 GLU A 291 -11.225 -6.087 -15.373 1.00 0.00 O ATOM 0 H GLU A 291 -5.931 -6.183 -16.770 1.00 0.00 H new ATOM 0 HA GLU A 291 -7.042 -3.626 -15.905 1.00 0.00 H new ATOM 0 HB2 GLU A 291 -7.539 -6.515 -15.539 1.00 0.00 H new ATOM 0 HB3 GLU A 291 -7.642 -5.621 -14.034 1.00 0.00 H new ATOM 0 HG2 GLU A 291 -9.177 -3.985 -15.282 1.00 0.00 H new ATOM 0 HG3 GLU A 291 -9.235 -5.176 -16.566 1.00 0.00 H new ATOM 462 N ILE A 292 -4.788 -5.299 -14.206 1.00 0.00 N ATOM 463 CA ILE A 292 -3.792 -5.204 -13.132 1.00 0.00 C ATOM 464 C ILE A 292 -3.137 -3.839 -13.120 1.00 0.00 C ATOM 465 O ILE A 292 -3.032 -3.199 -12.073 1.00 0.00 O ATOM 466 CB ILE A 292 -2.704 -6.282 -13.237 1.00 0.00 C ATOM 467 CG1 ILE A 292 -3.279 -7.532 -13.886 1.00 0.00 C ATOM 468 CG2 ILE A 292 -2.148 -6.599 -11.846 1.00 0.00 C ATOM 469 CD1 ILE A 292 -4.501 -8.050 -13.180 1.00 0.00 C ATOM 0 H ILE A 292 -4.769 -6.181 -14.717 1.00 0.00 H new ATOM 0 HA ILE A 292 -4.336 -5.362 -12.201 1.00 0.00 H new ATOM 0 HB ILE A 292 -1.887 -5.914 -13.858 1.00 0.00 H new ATOM 0 HG12 ILE A 292 -3.531 -7.313 -14.924 1.00 0.00 H new ATOM 0 HG13 ILE A 292 -2.517 -8.311 -13.900 1.00 0.00 H new ATOM 0 HG21 ILE A 292 -1.377 -7.365 -11.928 1.00 0.00 H new ATOM 0 HG22 ILE A 292 -1.718 -5.696 -11.411 1.00 0.00 H new ATOM 0 HG23 ILE A 292 -2.953 -6.962 -11.207 1.00 0.00 H new ATOM 0 HD11 ILE A 292 -4.865 -8.942 -13.690 1.00 0.00 H new ATOM 0 HD12 ILE A 292 -4.248 -8.299 -12.149 1.00 0.00 H new ATOM 0 HD13 ILE A 292 -5.278 -7.285 -13.189 1.00 0.00 H new ATOM 481 N GLY A 293 -2.729 -3.380 -14.296 1.00 0.00 N ATOM 482 CA GLY A 293 -2.128 -2.063 -14.384 1.00 0.00 C ATOM 483 C GLY A 293 -3.032 -1.034 -13.745 1.00 0.00 C ATOM 484 O GLY A 293 -2.573 -0.082 -13.116 1.00 0.00 O ATOM 0 H GLY A 293 -2.801 -3.887 -15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 293 -1.158 -2.064 -13.887 1.00 0.00 H new ATOM 0 HA3 GLY A 293 -1.951 -1.805 -15.428 1.00 0.00 H new ATOM 488 N GLU A 294 -4.331 -1.271 -13.883 1.00 0.00 N ATOM 489 CA GLU A 294 -5.345 -0.415 -13.296 1.00 0.00 C ATOM 490 C GLU A 294 -5.638 -0.856 -11.861 1.00 0.00 C ATOM 491 O GLU A 294 -6.012 -0.044 -11.016 1.00 0.00 O ATOM 492 CB GLU A 294 -6.629 -0.460 -14.134 1.00 0.00 C ATOM 493 CG GLU A 294 -7.713 0.475 -13.628 1.00 0.00 C ATOM 494 CD GLU A 294 -9.092 -0.154 -13.673 1.00 0.00 C ATOM 495 OE1 GLU A 294 -9.430 -0.907 -12.736 1.00 0.00 O ATOM 496 OE2 GLU A 294 -9.833 0.106 -14.644 1.00 0.00 O ATOM 0 H GLU A 294 -4.707 -2.062 -14.405 1.00 0.00 H new ATOM 0 HA GLU A 294 -4.973 0.609 -13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 294 -6.390 -0.202 -15.166 1.00 0.00 H new ATOM 0 HB3 GLU A 294 -7.014 -1.480 -14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 294 -7.485 0.769 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 294 -7.713 1.385 -14.228 1.00 0.00 H new ATOM 503 N ARG A 295 -5.470 -2.156 -11.591 1.00 0.00 N ATOM 504 CA ARG A 295 -5.723 -2.700 -10.262 1.00 0.00 C ATOM 505 C ARG A 295 -4.786 -2.093 -9.225 1.00 0.00 C ATOM 506 O ARG A 295 -5.233 -1.506 -8.247 1.00 0.00 O ATOM 507 CB ARG A 295 -5.563 -4.221 -10.267 1.00 0.00 C ATOM 508 CG ARG A 295 -6.584 -4.940 -11.137 1.00 0.00 C ATOM 509 CD ARG A 295 -6.864 -6.345 -10.624 1.00 0.00 C ATOM 510 NE ARG A 295 -8.152 -6.854 -11.094 1.00 0.00 N ATOM 511 CZ ARG A 295 -8.877 -7.763 -10.442 1.00 0.00 C ATOM 512 NH1 ARG A 295 -8.443 -8.275 -9.298 1.00 0.00 N ATOM 513 NH2 ARG A 295 -10.039 -8.163 -10.938 1.00 0.00 N ATOM 0 H ARG A 295 -5.161 -2.845 -12.277 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.748 -2.444 -9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.561 -4.471 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.646 -4.590 -9.245 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.512 -4.368 -11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.217 -4.992 -12.162 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -6.069 -7.015 -10.950 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -6.851 -6.342 -9.534 1.00 0.00 H new ATOM 0 HE ARG A 295 -8.518 -6.491 -11.974 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -7.549 -7.974 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -9.004 -8.970 -8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -10.378 -7.775 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -10.594 -8.859 -10.439 1.00 0.00 H new ATOM 527 N VAL A 296 -3.485 -2.217 -9.440 1.00 0.00 N ATOM 528 CA VAL A 296 -2.525 -1.655 -8.500 1.00 0.00 C ATOM 529 C VAL A 296 -2.798 -0.175 -8.282 1.00 0.00 C ATOM 530 O VAL A 296 -2.732 0.320 -7.157 1.00 0.00 O ATOM 531 CB VAL A 296 -1.075 -1.832 -8.971 1.00 0.00 C ATOM 532 CG1 VAL A 296 -0.115 -1.494 -7.837 1.00 0.00 C ATOM 533 CG2 VAL A 296 -0.850 -3.248 -9.484 1.00 0.00 C ATOM 0 H VAL A 296 -3.074 -2.693 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 296 -2.648 -2.201 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 296 -0.882 -1.147 -9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 296 0.912 -1.622 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 296 -0.268 -0.460 -7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 296 -0.301 -2.158 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 296 0.183 -3.356 -9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 296 -1.052 -3.961 -8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 296 -1.520 -3.442 -10.321 1.00 0.00 H new ATOM 543 N ARG A 297 -3.113 0.522 -9.365 1.00 0.00 N ATOM 544 CA ARG A 297 -3.405 1.943 -9.291 1.00 0.00 C ATOM 545 C ARG A 297 -4.684 2.189 -8.495 1.00 0.00 C ATOM 546 O ARG A 297 -4.710 3.024 -7.593 1.00 0.00 O ATOM 547 CB ARG A 297 -3.533 2.533 -10.696 1.00 0.00 C ATOM 548 CG ARG A 297 -3.678 4.046 -10.700 1.00 0.00 C ATOM 549 CD ARG A 297 -4.962 4.489 -11.387 1.00 0.00 C ATOM 550 NE ARG A 297 -5.012 4.069 -12.787 1.00 0.00 N ATOM 551 CZ ARG A 297 -6.136 4.007 -13.501 1.00 0.00 C ATOM 552 NH1 ARG A 297 -7.296 4.345 -12.955 1.00 0.00 N ATOM 553 NH2 ARG A 297 -6.099 3.607 -14.766 1.00 0.00 N ATOM 0 H ARG A 297 -3.172 0.126 -10.303 1.00 0.00 H new ATOM 0 HA ARG A 297 -2.580 2.437 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -2.655 2.257 -11.280 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -4.397 2.090 -11.191 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -3.669 4.415 -9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -2.822 4.492 -11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -5.818 4.075 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -5.046 5.574 -11.332 1.00 0.00 H new ATOM 0 HE ARG A 297 -4.137 3.809 -13.243 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -7.332 4.654 -11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -8.153 4.296 -13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -5.210 3.347 -15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -6.960 3.560 -15.311 1.00 0.00 H new ATOM 567 N THR A 298 -5.739 1.440 -8.814 1.00 0.00 N ATOM 568 CA THR A 298 -7.008 1.581 -8.108 1.00 0.00 C ATOM 569 C THR A 298 -6.862 1.191 -6.639 1.00 0.00 C ATOM 570 O THR A 298 -7.485 1.794 -5.767 1.00 0.00 O ATOM 571 CB THR A 298 -8.108 0.742 -8.773 1.00 0.00 C ATOM 572 OG1 THR A 298 -9.380 1.068 -8.239 1.00 0.00 O ATOM 573 CG2 THR A 298 -7.922 -0.751 -8.614 1.00 0.00 C ATOM 0 H THR A 298 -5.739 0.735 -9.551 1.00 0.00 H new ATOM 0 HA THR A 298 -7.298 2.630 -8.161 1.00 0.00 H new ATOM 0 HB THR A 298 -8.041 0.986 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 298 -10.068 0.524 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 298 -8.739 -1.274 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 298 -6.974 -1.049 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 298 -7.919 -1.006 -7.554 1.00 0.00 H new ATOM 581 N LEU A 299 -6.031 0.185 -6.364 1.00 0.00 N ATOM 582 CA LEU A 299 -5.814 -0.259 -4.995 1.00 0.00 C ATOM 583 C LEU A 299 -5.345 0.904 -4.122 1.00 0.00 C ATOM 584 O LEU A 299 -5.893 1.148 -3.048 1.00 0.00 O ATOM 585 CB LEU A 299 -4.783 -1.394 -4.953 1.00 0.00 C ATOM 586 CG LEU A 299 -5.149 -2.649 -5.750 1.00 0.00 C ATOM 587 CD1 LEU A 299 -3.957 -3.591 -5.850 1.00 0.00 C ATOM 588 CD2 LEU A 299 -6.337 -3.348 -5.115 1.00 0.00 C ATOM 0 H LEU A 299 -5.503 -0.331 -7.068 1.00 0.00 H new ATOM 0 HA LEU A 299 -6.761 -0.631 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -3.833 -1.012 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -4.625 -1.679 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 299 -5.426 -2.349 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -4.239 -4.476 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -3.133 -3.083 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -3.644 -3.889 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -6.586 -4.239 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -6.087 -3.636 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -7.192 -2.673 -5.102 1.00 0.00 H new ATOM 600 N VAL A 300 -4.325 1.620 -4.595 1.00 0.00 N ATOM 601 CA VAL A 300 -3.781 2.760 -3.856 1.00 0.00 C ATOM 602 C VAL A 300 -4.808 3.879 -3.734 1.00 0.00 C ATOM 603 O VAL A 300 -5.068 4.374 -2.636 1.00 0.00 O ATOM 604 CB VAL A 300 -2.503 3.309 -4.519 1.00 0.00 C ATOM 605 CG1 VAL A 300 -1.904 4.434 -3.686 1.00 0.00 C ATOM 606 CG2 VAL A 300 -1.490 2.192 -4.715 1.00 0.00 C ATOM 0 H VAL A 300 -3.860 1.432 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 300 -3.529 2.397 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 300 -2.768 3.714 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -1.003 4.807 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -2.628 5.244 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -1.652 4.058 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.592 2.594 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -1.232 1.761 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -1.919 1.420 -5.354 1.00 0.00 H new ATOM 616 N LEU A 301 -5.396 4.274 -4.859 1.00 0.00 N ATOM 617 CA LEU A 301 -6.399 5.332 -4.861 1.00 0.00 C ATOM 618 C LEU A 301 -7.590 4.936 -3.997 1.00 0.00 C ATOM 619 O LEU A 301 -8.248 5.786 -3.395 1.00 0.00 O ATOM 620 CB LEU A 301 -6.856 5.627 -6.289 1.00 0.00 C ATOM 621 CG LEU A 301 -5.966 6.607 -7.061 1.00 0.00 C ATOM 622 CD1 LEU A 301 -5.166 5.880 -8.128 1.00 0.00 C ATOM 623 CD2 LEU A 301 -6.802 7.715 -7.680 1.00 0.00 C ATOM 0 H LEU A 301 -5.196 3.879 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 301 -5.952 6.234 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -6.903 4.688 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -7.869 6.028 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 301 -5.265 7.058 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -4.541 6.594 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -4.534 5.126 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -5.848 5.397 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -6.152 8.401 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 301 -7.529 7.282 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 301 -7.326 8.258 -6.893 1.00 0.00 H new ATOM 635 N GLY A 302 -7.851 3.636 -3.929 1.00 0.00 N ATOM 636 CA GLY A 302 -8.953 3.149 -3.123 1.00 0.00 C ATOM 637 C GLY A 302 -8.658 3.259 -1.640 1.00 0.00 C ATOM 638 O GLY A 302 -9.474 3.763 -0.869 1.00 0.00 O ATOM 0 H GLY A 302 -7.321 2.913 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -9.853 3.717 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -9.157 2.109 -3.377 1.00 0.00 H new ATOM 642 N LEU A 303 -7.483 2.784 -1.249 1.00 0.00 N ATOM 643 CA LEU A 303 -7.043 2.808 0.139 1.00 0.00 C ATOM 644 C LEU A 303 -7.022 4.229 0.693 1.00 0.00 C ATOM 645 O LEU A 303 -7.279 4.448 1.875 1.00 0.00 O ATOM 646 CB LEU A 303 -5.656 2.178 0.220 1.00 0.00 C ATOM 647 CG LEU A 303 -4.947 2.288 1.568 1.00 0.00 C ATOM 648 CD1 LEU A 303 -4.701 0.902 2.143 1.00 0.00 C ATOM 649 CD2 LEU A 303 -3.636 3.045 1.412 1.00 0.00 C ATOM 0 H LEU A 303 -6.805 2.369 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 303 -7.746 2.239 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 303 -5.743 1.122 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 303 -5.024 2.640 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 303 -5.583 2.841 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 303 -4.195 0.991 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 303 -5.654 0.391 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 303 -4.078 0.329 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 303 -3.140 3.117 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 303 -2.991 2.514 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 303 -3.837 4.047 1.032 1.00 0.00 H new ATOM 661 N VAL A 304 -6.720 5.188 -0.171 1.00 0.00 N ATOM 662 CA VAL A 304 -6.670 6.587 0.229 1.00 0.00 C ATOM 663 C VAL A 304 -8.069 7.188 0.278 1.00 0.00 C ATOM 664 O VAL A 304 -8.348 8.074 1.086 1.00 0.00 O ATOM 665 CB VAL A 304 -5.798 7.408 -0.734 1.00 0.00 C ATOM 666 CG1 VAL A 304 -4.362 6.919 -0.689 1.00 0.00 C ATOM 667 CG2 VAL A 304 -6.348 7.323 -2.145 1.00 0.00 C ATOM 0 H VAL A 304 -6.506 5.022 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 304 -6.229 6.624 1.225 1.00 0.00 H new ATOM 0 HB VAL A 304 -5.817 8.452 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 304 -3.755 7.509 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 304 -3.973 7.026 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 304 -4.326 5.870 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 304 -5.720 7.909 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 304 -6.355 6.283 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 304 -7.365 7.716 -2.164 1.00 0.00 H new ATOM 677 N ASN A 305 -8.948 6.693 -0.590 1.00 0.00 N ATOM 678 CA ASN A 305 -10.325 7.172 -0.649 1.00 0.00 C ATOM 679 C ASN A 305 -11.148 6.655 0.534 1.00 0.00 C ATOM 680 O ASN A 305 -12.368 6.813 0.561 1.00 0.00 O ATOM 681 CB ASN A 305 -10.979 6.740 -1.967 1.00 0.00 C ATOM 682 CG ASN A 305 -11.319 7.919 -2.859 1.00 0.00 C ATOM 683 OD1 ASN A 305 -12.484 8.148 -3.186 1.00 0.00 O ATOM 684 ND2 ASN A 305 -10.303 8.674 -3.257 1.00 0.00 N ATOM 0 H ASN A 305 -8.730 5.959 -1.263 1.00 0.00 H new ATOM 0 HA ASN A 305 -10.302 8.260 -0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 305 -10.307 6.067 -2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 305 -11.887 6.178 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 305 -10.472 9.481 -3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 305 -9.353 8.448 -2.962 1.00 0.00 H new ATOM 691 N SER A 306 -10.479 6.030 1.507 1.00 0.00 N ATOM 692 CA SER A 306 -11.155 5.488 2.682 1.00 0.00 C ATOM 693 C SER A 306 -12.148 4.394 2.294 1.00 0.00 C ATOM 694 O SER A 306 -12.987 3.997 3.101 1.00 0.00 O ATOM 695 CB SER A 306 -11.872 6.602 3.444 1.00 0.00 C ATOM 696 OG SER A 306 -13.150 6.860 2.891 1.00 0.00 O ATOM 0 H SER A 306 -9.469 5.888 1.501 1.00 0.00 H new ATOM 0 HA SER A 306 -10.398 5.045 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 306 -11.976 6.321 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 306 -11.271 7.511 3.416 1.00 0.00 H new ATOM 0 HG SER A 306 -13.050 7.171 1.967 1.00 0.00 H new ATOM 702 N THR A 307 -12.048 3.911 1.058 1.00 0.00 N ATOM 703 CA THR A 307 -12.936 2.864 0.570 1.00 0.00 C ATOM 704 C THR A 307 -12.267 1.490 0.628 1.00 0.00 C ATOM 705 O THR A 307 -12.883 0.476 0.300 1.00 0.00 O ATOM 706 CB THR A 307 -13.366 3.170 -0.865 1.00 0.00 C ATOM 707 OG1 THR A 307 -14.264 2.183 -1.337 1.00 0.00 O ATOM 708 CG2 THR A 307 -12.207 3.243 -1.838 1.00 0.00 C ATOM 0 H THR A 307 -11.359 4.230 0.377 1.00 0.00 H new ATOM 0 HA THR A 307 -13.812 2.841 1.218 1.00 0.00 H new ATOM 0 HB THR A 307 -13.841 4.150 -0.822 1.00 0.00 H new ATOM 0 HG1 THR A 307 -14.043 1.319 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 307 -12.584 3.463 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 307 -11.520 4.030 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 307 -11.682 2.288 -1.851 1.00 0.00 H new ATOM 716 N LEU A 308 -11.003 1.457 1.040 1.00 0.00 N ATOM 717 CA LEU A 308 -10.263 0.207 1.130 1.00 0.00 C ATOM 718 C LEU A 308 -9.898 -0.098 2.581 1.00 0.00 C ATOM 719 O LEU A 308 -10.502 0.434 3.514 1.00 0.00 O ATOM 720 CB LEU A 308 -9.001 0.281 0.256 1.00 0.00 C ATOM 721 CG LEU A 308 -8.838 -0.845 -0.772 1.00 0.00 C ATOM 722 CD1 LEU A 308 -8.120 -0.336 -2.015 1.00 0.00 C ATOM 723 CD2 LEU A 308 -8.077 -2.015 -0.174 1.00 0.00 C ATOM 0 H LEU A 308 -10.472 2.283 1.316 1.00 0.00 H new ATOM 0 HA LEU A 308 -10.895 -0.603 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -9.003 1.234 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -8.128 0.281 0.909 1.00 0.00 H new ATOM 0 HG LEU A 308 -9.833 -1.187 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -8.014 -1.150 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -8.698 0.471 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -7.133 0.035 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -7.973 -2.802 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 308 -7.088 -1.682 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 308 -8.622 -2.402 0.687 1.00 0.00 H new ATOM 735 N THR A 309 -8.910 -0.957 2.755 1.00 0.00 N ATOM 736 CA THR A 309 -8.440 -1.355 4.064 1.00 0.00 C ATOM 737 C THR A 309 -7.089 -2.026 3.930 1.00 0.00 C ATOM 738 O THR A 309 -6.732 -2.530 2.869 1.00 0.00 O ATOM 739 CB THR A 309 -9.434 -2.303 4.732 1.00 0.00 C ATOM 740 OG1 THR A 309 -10.717 -2.187 4.143 1.00 0.00 O ATOM 741 CG2 THR A 309 -9.583 -2.057 6.217 1.00 0.00 C ATOM 0 H THR A 309 -8.409 -1.400 1.984 1.00 0.00 H new ATOM 0 HA THR A 309 -8.346 -0.467 4.690 1.00 0.00 H new ATOM 0 HB THR A 309 -9.026 -3.303 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 309 -11.337 -2.804 4.585 1.00 0.00 H new ATOM 0 HG21 THR A 309 -10.303 -2.762 6.632 1.00 0.00 H new ATOM 0 HG22 THR A 309 -8.619 -2.192 6.707 1.00 0.00 H new ATOM 0 HG23 THR A 309 -9.935 -1.039 6.384 1.00 0.00 H new ATOM 749 N ILE A 310 -6.347 -2.022 5.009 1.00 0.00 N ATOM 750 CA ILE A 310 -5.032 -2.615 5.039 1.00 0.00 C ATOM 751 C ILE A 310 -5.086 -4.080 4.649 1.00 0.00 C ATOM 752 O ILE A 310 -4.373 -4.533 3.753 1.00 0.00 O ATOM 753 CB ILE A 310 -4.454 -2.451 6.451 1.00 0.00 C ATOM 754 CG1 ILE A 310 -3.496 -1.271 6.479 1.00 0.00 C ATOM 755 CG2 ILE A 310 -3.785 -3.721 6.946 1.00 0.00 C ATOM 756 CD1 ILE A 310 -3.870 -0.258 7.529 1.00 0.00 C ATOM 0 H ILE A 310 -6.638 -1.607 5.894 1.00 0.00 H new ATOM 0 HA ILE A 310 -4.390 -2.111 4.316 1.00 0.00 H new ATOM 0 HB ILE A 310 -5.279 -2.252 7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 310 -2.485 -1.631 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 310 -3.486 -0.791 5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 310 -3.391 -3.557 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 310 -4.514 -4.531 6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 310 -2.969 -3.988 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 310 -3.156 0.566 7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 310 -4.871 0.124 7.326 1.00 0.00 H new ATOM 0 HD13 ILE A 310 -3.854 -0.730 8.512 1.00 0.00 H new ATOM 768 N GLU A 311 -5.935 -4.810 5.344 1.00 0.00 N ATOM 769 CA GLU A 311 -6.102 -6.232 5.098 1.00 0.00 C ATOM 770 C GLU A 311 -6.471 -6.492 3.645 1.00 0.00 C ATOM 771 O GLU A 311 -6.042 -7.479 3.064 1.00 0.00 O ATOM 772 CB GLU A 311 -7.173 -6.810 6.021 1.00 0.00 C ATOM 773 CG GLU A 311 -6.942 -6.497 7.489 1.00 0.00 C ATOM 774 CD GLU A 311 -8.011 -7.085 8.389 1.00 0.00 C ATOM 775 OE1 GLU A 311 -8.183 -8.322 8.377 1.00 0.00 O ATOM 776 OE2 GLU A 311 -8.677 -6.308 9.105 1.00 0.00 O ATOM 0 H GLU A 311 -6.525 -4.440 6.089 1.00 0.00 H new ATOM 0 HA GLU A 311 -5.152 -6.724 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 311 -8.146 -6.420 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 311 -7.209 -7.891 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 311 -5.968 -6.883 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 311 -6.913 -5.416 7.625 1.00 0.00 H new ATOM 783 N GLU A 312 -7.268 -5.596 3.068 1.00 0.00 N ATOM 784 CA GLU A 312 -7.702 -5.720 1.677 1.00 0.00 C ATOM 785 C GLU A 312 -6.622 -5.244 0.706 1.00 0.00 C ATOM 786 O GLU A 312 -6.245 -5.958 -0.222 1.00 0.00 O ATOM 787 CB GLU A 312 -8.976 -4.906 1.456 1.00 0.00 C ATOM 788 CG GLU A 312 -10.216 -5.533 2.068 1.00 0.00 C ATOM 789 CD GLU A 312 -10.964 -6.418 1.092 1.00 0.00 C ATOM 790 OE1 GLU A 312 -10.302 -7.161 0.336 1.00 0.00 O ATOM 791 OE2 GLU A 312 -12.211 -6.369 1.081 1.00 0.00 O ATOM 0 H GLU A 312 -7.629 -4.770 3.546 1.00 0.00 H new ATOM 0 HA GLU A 312 -7.895 -6.775 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 312 -8.838 -3.910 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 312 -9.135 -4.780 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 312 -9.929 -6.121 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 312 -10.881 -4.745 2.421 1.00 0.00 H new ATOM 798 N PHE A 313 -6.144 -4.024 0.925 1.00 0.00 N ATOM 799 CA PHE A 313 -5.119 -3.417 0.077 1.00 0.00 C ATOM 800 C PHE A 313 -3.921 -4.339 -0.092 1.00 0.00 C ATOM 801 O PHE A 313 -3.592 -4.743 -1.206 1.00 0.00 O ATOM 802 CB PHE A 313 -4.671 -2.096 0.703 1.00 0.00 C ATOM 803 CG PHE A 313 -3.660 -1.332 -0.102 1.00 0.00 C ATOM 804 CD1 PHE A 313 -4.040 -0.642 -1.240 1.00 0.00 C ATOM 805 CD2 PHE A 313 -2.331 -1.289 0.289 1.00 0.00 C ATOM 806 CE1 PHE A 313 -3.114 0.071 -1.972 1.00 0.00 C ATOM 807 CE2 PHE A 313 -1.401 -0.574 -0.442 1.00 0.00 C ATOM 808 CZ PHE A 313 -1.795 0.106 -1.574 1.00 0.00 C ATOM 0 H PHE A 313 -6.454 -3.428 1.692 1.00 0.00 H new ATOM 0 HA PHE A 313 -5.546 -3.240 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 313 -5.547 -1.465 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 313 -4.252 -2.300 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 313 -5.072 -0.662 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 313 -2.018 -1.821 1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 313 -3.423 0.603 -2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 313 -0.368 -0.548 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 313 -1.071 0.665 -2.148 1.00 0.00 H new ATOM 818 N HIS A 314 -3.273 -4.669 1.017 1.00 0.00 N ATOM 819 CA HIS A 314 -2.111 -5.540 0.978 1.00 0.00 C ATOM 820 C HIS A 314 -2.469 -6.872 0.346 1.00 0.00 C ATOM 821 O HIS A 314 -1.673 -7.462 -0.381 1.00 0.00 O ATOM 822 CB HIS A 314 -1.550 -5.760 2.379 1.00 0.00 C ATOM 823 CG HIS A 314 -0.347 -6.646 2.399 1.00 0.00 C ATOM 824 ND1 HIS A 314 0.910 -6.219 2.032 1.00 0.00 N ATOM 825 CD2 HIS A 314 -0.218 -7.947 2.736 1.00 0.00 C ATOM 826 CE1 HIS A 314 1.759 -7.225 2.142 1.00 0.00 C ATOM 827 NE2 HIS A 314 1.100 -8.283 2.570 1.00 0.00 N ATOM 0 H HIS A 314 -3.532 -4.347 1.950 1.00 0.00 H new ATOM 0 HA HIS A 314 -1.345 -5.056 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 314 -1.290 -4.795 2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 314 -2.325 -6.196 3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 314 -1.008 -8.602 3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 314 2.815 -7.187 1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 314 1.505 -9.202 2.749 1.00 0.00 H new ATOM 836 N SER A 315 -3.676 -7.331 0.634 1.00 0.00 N ATOM 837 CA SER A 315 -4.175 -8.597 0.101 1.00 0.00 C ATOM 838 C SER A 315 -4.362 -8.533 -1.413 1.00 0.00 C ATOM 839 O SER A 315 -3.984 -9.455 -2.136 1.00 0.00 O ATOM 840 CB SER A 315 -5.502 -8.943 0.760 1.00 0.00 C ATOM 841 OG SER A 315 -5.386 -10.113 1.553 1.00 0.00 O ATOM 0 H SER A 315 -4.337 -6.844 1.239 1.00 0.00 H new ATOM 0 HA SER A 315 -3.436 -9.367 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 315 -5.832 -8.110 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 315 -6.264 -9.092 -0.005 1.00 0.00 H new ATOM 0 HG SER A 315 -6.251 -10.314 1.968 1.00 0.00 H new ATOM 847 N LYS A 316 -4.958 -7.449 -1.890 1.00 0.00 N ATOM 848 CA LYS A 316 -5.198 -7.279 -3.316 1.00 0.00 C ATOM 849 C LYS A 316 -3.910 -6.874 -4.032 1.00 0.00 C ATOM 850 O LYS A 316 -3.571 -7.428 -5.078 1.00 0.00 O ATOM 851 CB LYS A 316 -6.285 -6.231 -3.542 1.00 0.00 C ATOM 852 CG LYS A 316 -7.654 -6.656 -3.036 1.00 0.00 C ATOM 853 CD LYS A 316 -8.701 -5.584 -3.298 1.00 0.00 C ATOM 854 CE LYS A 316 -9.954 -5.811 -2.469 1.00 0.00 C ATOM 855 NZ LYS A 316 -10.637 -7.083 -2.825 1.00 0.00 N ATOM 0 H LYS A 316 -5.284 -6.675 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 316 -5.535 -8.230 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -5.995 -5.305 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -6.352 -6.013 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -7.952 -7.584 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -7.601 -6.861 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -8.284 -4.604 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -8.960 -5.579 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -9.691 -5.825 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -10.641 -4.978 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -11.504 -7.181 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -10.882 -7.075 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -10.003 -7.884 -2.629 1.00 0.00 H new ATOM 869 N LEU A 317 -3.194 -5.907 -3.457 1.00 0.00 N ATOM 870 CA LEU A 317 -1.941 -5.430 -4.035 1.00 0.00 C ATOM 871 C LEU A 317 -0.907 -6.548 -4.100 1.00 0.00 C ATOM 872 O LEU A 317 -0.172 -6.667 -5.081 1.00 0.00 O ATOM 873 CB LEU A 317 -1.385 -4.261 -3.218 1.00 0.00 C ATOM 874 CG LEU A 317 -0.861 -3.092 -4.053 1.00 0.00 C ATOM 875 CD1 LEU A 317 -1.804 -1.915 -3.958 1.00 0.00 C ATOM 876 CD2 LEU A 317 0.535 -2.688 -3.607 1.00 0.00 C ATOM 0 H LEU A 317 -3.462 -5.440 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 317 -2.151 -5.091 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -2.168 -3.894 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -0.577 -4.629 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 317 -0.805 -3.415 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -1.418 -1.090 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -2.787 -2.205 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -1.888 -1.599 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 317 0.885 -1.855 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 317 0.509 -2.386 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 317 1.213 -3.533 -3.724 1.00 0.00 H new ATOM 888 N GLN A 318 -0.851 -7.368 -3.056 1.00 0.00 N ATOM 889 CA GLN A 318 0.099 -8.470 -3.023 1.00 0.00 C ATOM 890 C GLN A 318 -0.179 -9.429 -4.166 1.00 0.00 C ATOM 891 O GLN A 318 0.734 -10.029 -4.723 1.00 0.00 O ATOM 892 CB GLN A 318 0.044 -9.212 -1.684 1.00 0.00 C ATOM 893 CG GLN A 318 -1.254 -9.963 -1.452 1.00 0.00 C ATOM 894 CD GLN A 318 -1.243 -10.768 -0.167 1.00 0.00 C ATOM 895 OE1 GLN A 318 -1.517 -11.966 -0.165 1.00 0.00 O ATOM 896 NE2 GLN A 318 -0.928 -10.106 0.937 1.00 0.00 N ATOM 0 H GLN A 318 -1.446 -7.291 -2.231 1.00 0.00 H new ATOM 0 HA GLN A 318 1.101 -8.057 -3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 318 0.874 -9.917 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 318 0.187 -8.495 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 318 -2.080 -9.252 -1.424 1.00 0.00 H new ATOM 0 HG3 GLN A 318 -1.437 -10.632 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 318 -0.707 -9.111 0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 318 -0.906 -10.591 1.834 1.00 0.00 H new ATOM 905 N GLU A 319 -1.449 -9.560 -4.516 1.00 0.00 N ATOM 906 CA GLU A 319 -1.842 -10.440 -5.600 1.00 0.00 C ATOM 907 C GLU A 319 -1.550 -9.819 -6.959 1.00 0.00 C ATOM 908 O GLU A 319 -1.205 -10.522 -7.908 1.00 0.00 O ATOM 909 CB GLU A 319 -3.323 -10.796 -5.503 1.00 0.00 C ATOM 910 CG GLU A 319 -3.746 -11.877 -6.484 1.00 0.00 C ATOM 911 CD GLU A 319 -5.179 -12.323 -6.281 1.00 0.00 C ATOM 912 OE1 GLU A 319 -6.089 -11.480 -6.430 1.00 0.00 O ATOM 913 OE2 GLU A 319 -5.394 -13.513 -5.972 1.00 0.00 O ATOM 0 H GLU A 319 -2.221 -9.069 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 319 -1.250 -11.351 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -3.544 -11.129 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -3.918 -9.900 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -3.626 -11.505 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -3.084 -12.737 -6.379 1.00 0.00 H new ATOM 920 N ALA A 320 -1.720 -8.506 -7.059 1.00 0.00 N ATOM 921 CA ALA A 320 -1.502 -7.810 -8.318 1.00 0.00 C ATOM 922 C ALA A 320 -0.031 -7.473 -8.556 1.00 0.00 C ATOM 923 O ALA A 320 0.498 -7.716 -9.636 1.00 0.00 O ATOM 924 CB ALA A 320 -2.338 -6.536 -8.351 1.00 0.00 C ATOM 0 H ALA A 320 -2.007 -7.905 -6.286 1.00 0.00 H new ATOM 0 HA ALA A 320 -1.810 -8.483 -9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -2.173 -6.017 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -3.394 -6.791 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -2.046 -5.888 -7.525 1.00 0.00 H new ATOM 930 N THR A 321 0.615 -6.886 -7.556 1.00 0.00 N ATOM 931 CA THR A 321 2.015 -6.475 -7.680 1.00 0.00 C ATOM 932 C THR A 321 2.987 -7.641 -7.517 1.00 0.00 C ATOM 933 O THR A 321 4.047 -7.651 -8.136 1.00 0.00 O ATOM 934 CB THR A 321 2.297 -5.408 -6.629 1.00 0.00 C ATOM 935 OG1 THR A 321 2.416 -5.990 -5.341 1.00 0.00 O ATOM 936 CG2 THR A 321 1.204 -4.361 -6.559 1.00 0.00 C ATOM 0 H THR A 321 0.195 -6.682 -6.649 1.00 0.00 H new ATOM 0 HA THR A 321 2.168 -6.082 -8.685 1.00 0.00 H new ATOM 0 HB THR A 321 3.230 -4.932 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 321 1.554 -6.372 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 321 1.454 -3.625 -5.795 1.00 0.00 H new ATOM 0 HG22 THR A 321 1.113 -3.865 -7.525 1.00 0.00 H new ATOM 0 HG23 THR A 321 0.258 -4.839 -6.306 1.00 0.00 H new ATOM 1049 N PHE A 328 5.028 -9.539 4.663 1.00 0.00 N ATOM 1050 CA PHE A 328 5.038 -8.797 5.920 1.00 0.00 C ATOM 1051 C PHE A 328 4.906 -7.293 5.679 1.00 0.00 C ATOM 1052 O PHE A 328 5.171 -6.493 6.575 1.00 0.00 O ATOM 1053 CB PHE A 328 6.316 -9.091 6.707 1.00 0.00 C ATOM 1054 CG PHE A 328 7.572 -8.834 5.930 1.00 0.00 C ATOM 1055 CD1 PHE A 328 8.127 -7.566 5.889 1.00 0.00 C ATOM 1056 CD2 PHE A 328 8.196 -9.858 5.242 1.00 0.00 C ATOM 1057 CE1 PHE A 328 9.283 -7.327 5.175 1.00 0.00 C ATOM 1058 CE2 PHE A 328 9.353 -9.626 4.524 1.00 0.00 C ATOM 1059 CZ PHE A 328 9.898 -8.358 4.490 1.00 0.00 C ATOM 0 HA PHE A 328 4.178 -9.125 6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 328 6.326 -8.480 7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 328 6.304 -10.133 7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 328 7.650 -6.756 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 328 7.774 -10.852 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 328 9.707 -6.334 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 328 9.830 -10.435 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 328 10.802 -8.172 3.930 1.00 0.00 H new ATOM 1069 N VAL A 329 4.520 -6.912 4.458 1.00 0.00 N ATOM 1070 CA VAL A 329 4.368 -5.501 4.098 1.00 0.00 C ATOM 1071 C VAL A 329 3.075 -4.901 4.657 1.00 0.00 C ATOM 1072 O VAL A 329 3.011 -3.702 4.929 1.00 0.00 O ATOM 1073 CB VAL A 329 4.374 -5.290 2.570 1.00 0.00 C ATOM 1074 CG1 VAL A 329 4.536 -3.821 2.237 1.00 0.00 C ATOM 1075 CG2 VAL A 329 5.454 -6.125 1.902 1.00 0.00 C ATOM 0 H VAL A 329 4.307 -7.563 3.702 1.00 0.00 H new ATOM 0 HA VAL A 329 5.226 -4.994 4.540 1.00 0.00 H new ATOM 0 HB VAL A 329 3.413 -5.625 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 329 4.538 -3.691 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 329 3.709 -3.257 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 329 5.478 -3.456 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 329 5.432 -5.954 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 329 6.430 -5.840 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 329 5.275 -7.181 2.105 1.00 0.00 H new ATOM 1085 N ILE A 330 2.036 -5.730 4.808 1.00 0.00 N ATOM 1086 CA ILE A 330 0.746 -5.253 5.315 1.00 0.00 C ATOM 1087 C ILE A 330 0.882 -4.383 6.575 1.00 0.00 C ATOM 1088 O ILE A 330 0.164 -3.395 6.705 1.00 0.00 O ATOM 1089 CB ILE A 330 -0.256 -6.416 5.569 1.00 0.00 C ATOM 1090 CG1 ILE A 330 -1.700 -5.915 5.517 1.00 0.00 C ATOM 1091 CG2 ILE A 330 -0.009 -7.116 6.893 1.00 0.00 C ATOM 1092 CD1 ILE A 330 -2.712 -7.033 5.425 1.00 0.00 C ATOM 0 H ILE A 330 2.063 -6.726 4.588 1.00 0.00 H new ATOM 0 HA ILE A 330 0.342 -4.623 4.523 1.00 0.00 H new ATOM 0 HB ILE A 330 -0.094 -7.141 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 330 -1.904 -5.320 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 330 -1.818 -5.254 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 330 -0.735 -7.919 7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 330 0.998 -7.533 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -0.113 -6.400 7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -3.717 -6.612 5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -2.531 -7.614 4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -2.619 -7.681 6.297 1.00 0.00 H new ATOM 1104 N PRO A 331 1.791 -4.712 7.526 1.00 0.00 N ATOM 1105 CA PRO A 331 1.957 -3.913 8.749 1.00 0.00 C ATOM 1106 C PRO A 331 2.518 -2.527 8.471 1.00 0.00 C ATOM 1107 O PRO A 331 2.015 -1.530 8.989 1.00 0.00 O ATOM 1108 CB PRO A 331 2.944 -4.728 9.584 1.00 0.00 C ATOM 1109 CG PRO A 331 3.701 -5.526 8.589 1.00 0.00 C ATOM 1110 CD PRO A 331 2.719 -5.858 7.505 1.00 0.00 C ATOM 0 HA PRO A 331 1.002 -3.738 9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 331 3.605 -4.081 10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 331 2.426 -5.370 10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 331 4.545 -4.961 8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 331 4.107 -6.431 9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 331 3.208 -5.962 6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 331 2.203 -6.797 7.703 1.00 0.00 H new ATOM 1118 N PHE A 332 3.559 -2.466 7.654 1.00 0.00 N ATOM 1119 CA PHE A 332 4.181 -1.196 7.315 1.00 0.00 C ATOM 1120 C PHE A 332 3.151 -0.238 6.713 1.00 0.00 C ATOM 1121 O PHE A 332 3.077 0.929 7.096 1.00 0.00 O ATOM 1122 CB PHE A 332 5.367 -1.440 6.369 1.00 0.00 C ATOM 1123 CG PHE A 332 5.345 -0.619 5.113 1.00 0.00 C ATOM 1124 CD1 PHE A 332 4.708 -1.081 3.977 1.00 0.00 C ATOM 1125 CD2 PHE A 332 5.957 0.617 5.078 1.00 0.00 C ATOM 1126 CE1 PHE A 332 4.683 -0.320 2.824 1.00 0.00 C ATOM 1127 CE2 PHE A 332 5.933 1.384 3.933 1.00 0.00 C ATOM 1128 CZ PHE A 332 5.297 0.917 2.803 1.00 0.00 C ATOM 0 H PHE A 332 3.990 -3.280 7.215 1.00 0.00 H new ATOM 0 HA PHE A 332 4.564 -0.723 8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 332 6.292 -1.232 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 332 5.386 -2.495 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 332 4.225 -2.047 3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 332 6.461 0.988 5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 332 4.184 -0.692 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 332 6.413 2.351 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 332 5.279 1.516 1.905 1.00 0.00 H new ATOM 1138 N LEU A 333 2.351 -0.745 5.780 1.00 0.00 N ATOM 1139 CA LEU A 333 1.315 0.058 5.137 1.00 0.00 C ATOM 1140 C LEU A 333 0.374 0.659 6.185 1.00 0.00 C ATOM 1141 O LEU A 333 -0.103 1.780 6.034 1.00 0.00 O ATOM 1142 CB LEU A 333 0.526 -0.803 4.136 1.00 0.00 C ATOM 1143 CG LEU A 333 -0.439 -0.051 3.203 1.00 0.00 C ATOM 1144 CD1 LEU A 333 -1.758 0.229 3.903 1.00 0.00 C ATOM 1145 CD2 LEU A 333 0.184 1.244 2.692 1.00 0.00 C ATOM 0 H LEU A 333 2.400 -1.709 5.452 1.00 0.00 H new ATOM 0 HA LEU A 333 1.791 0.876 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 333 1.239 -1.352 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -0.046 -1.542 4.697 1.00 0.00 H new ATOM 0 HG LEU A 333 -0.636 -0.691 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -2.424 0.761 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.219 -0.713 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -1.578 0.840 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -0.522 1.753 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 333 0.425 1.890 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 333 1.095 1.016 2.139 1.00 0.00 H new ATOM 1157 N LYS A 334 0.111 -0.108 7.246 1.00 0.00 N ATOM 1158 CA LYS A 334 -0.786 0.333 8.320 1.00 0.00 C ATOM 1159 C LYS A 334 -0.242 1.545 9.065 1.00 0.00 C ATOM 1160 O LYS A 334 -1.002 2.420 9.483 1.00 0.00 O ATOM 1161 CB LYS A 334 -1.054 -0.799 9.325 1.00 0.00 C ATOM 1162 CG LYS A 334 -1.499 -2.107 8.686 1.00 0.00 C ATOM 1163 CD LYS A 334 -1.074 -3.318 9.498 1.00 0.00 C ATOM 1164 CE LYS A 334 -2.264 -4.057 10.084 1.00 0.00 C ATOM 1165 NZ LYS A 334 -1.898 -4.838 11.301 1.00 0.00 N ATOM 0 H LYS A 334 0.506 -1.038 7.385 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.721 0.617 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -0.147 -0.980 9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -1.820 -0.472 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -2.584 -2.106 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -1.080 -2.180 7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -0.502 -3.996 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -0.412 -3.000 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -3.046 -3.341 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -2.677 -4.730 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -2.741 -5.326 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -1.170 -5.540 11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -1.528 -4.194 12.029 1.00 0.00 H new ATOM 1179 N ALA A 335 1.065 1.584 9.246 1.00 0.00 N ATOM 1180 CA ALA A 335 1.701 2.681 9.961 1.00 0.00 C ATOM 1181 C ALA A 335 1.672 3.979 9.155 1.00 0.00 C ATOM 1182 O ALA A 335 1.500 5.064 9.709 1.00 0.00 O ATOM 1183 CB ALA A 335 3.131 2.297 10.310 1.00 0.00 C ATOM 0 H ALA A 335 1.710 0.869 8.908 1.00 0.00 H new ATOM 0 HA ALA A 335 1.139 2.863 10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 335 3.608 3.118 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 335 3.125 1.408 10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 335 3.686 2.090 9.395 1.00 0.00 H new ATOM 1189 N ASN A 336 1.871 3.857 7.852 1.00 0.00 N ATOM 1190 CA ASN A 336 1.899 5.016 6.954 1.00 0.00 C ATOM 1191 C ASN A 336 0.563 5.235 6.241 1.00 0.00 C ATOM 1192 O ASN A 336 0.360 6.274 5.611 1.00 0.00 O ATOM 1193 CB ASN A 336 3.011 4.835 5.922 1.00 0.00 C ATOM 1194 CG ASN A 336 3.308 3.385 5.646 1.00 0.00 C ATOM 1195 OD1 ASN A 336 2.489 2.674 5.073 1.00 0.00 O ATOM 1196 ND2 ASN A 336 4.482 2.940 6.057 1.00 0.00 N ATOM 0 H ASN A 336 2.017 2.963 7.384 1.00 0.00 H new ATOM 0 HA ASN A 336 2.089 5.899 7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 336 2.724 5.327 4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 336 3.916 5.327 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 336 4.741 1.966 5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 336 5.130 3.571 6.529 1.00 0.00 H new ATOM 1203 N LEU A 337 -0.344 4.262 6.326 1.00 0.00 N ATOM 1204 CA LEU A 337 -1.646 4.385 5.670 1.00 0.00 C ATOM 1205 C LEU A 337 -2.356 5.663 6.091 1.00 0.00 C ATOM 1206 O LEU A 337 -2.917 6.372 5.257 1.00 0.00 O ATOM 1207 CB LEU A 337 -2.555 3.189 5.979 1.00 0.00 C ATOM 1208 CG LEU A 337 -3.895 3.189 5.227 1.00 0.00 C ATOM 1209 CD1 LEU A 337 -4.507 1.801 5.222 1.00 0.00 C ATOM 1210 CD2 LEU A 337 -4.877 4.188 5.832 1.00 0.00 C ATOM 0 H LEU A 337 -0.204 3.390 6.836 1.00 0.00 H new ATOM 0 HA LEU A 337 -1.450 4.413 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 337 -2.019 2.271 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 337 -2.755 3.170 7.050 1.00 0.00 H new ATOM 0 HG LEU A 337 -3.691 3.492 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 337 -5.455 1.823 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 337 -3.827 1.105 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 337 -4.679 1.476 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 337 -5.813 4.161 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 337 -5.066 3.927 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 337 -4.453 5.191 5.781 1.00 0.00 H new ATOM 1222 N PRO A 338 -2.358 5.977 7.397 1.00 0.00 N ATOM 1223 CA PRO A 338 -3.017 7.173 7.905 1.00 0.00 C ATOM 1224 C PRO A 338 -2.252 8.430 7.535 1.00 0.00 C ATOM 1225 O PRO A 338 -2.780 9.537 7.628 1.00 0.00 O ATOM 1226 CB PRO A 338 -3.020 6.985 9.431 1.00 0.00 C ATOM 1227 CG PRO A 338 -2.572 5.579 9.666 1.00 0.00 C ATOM 1228 CD PRO A 338 -1.730 5.207 8.480 1.00 0.00 C ATOM 0 HA PRO A 338 -4.016 7.293 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 338 -2.349 7.696 9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 338 -4.014 7.153 9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 338 -1.999 5.502 10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 338 -3.426 4.909 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 338 -0.685 5.482 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 338 -1.754 4.135 8.284 1.00 0.00 H new ATOM 1236 N LEU A 339 -0.998 8.264 7.132 1.00 0.00 N ATOM 1237 CA LEU A 339 -0.181 9.406 6.780 1.00 0.00 C ATOM 1238 C LEU A 339 -0.449 9.915 5.374 1.00 0.00 C ATOM 1239 O LEU A 339 -0.632 11.114 5.156 1.00 0.00 O ATOM 1240 CB LEU A 339 1.291 9.085 6.915 1.00 0.00 C ATOM 1241 CG LEU A 339 2.109 10.339 7.074 1.00 0.00 C ATOM 1242 CD1 LEU A 339 3.058 10.232 8.249 1.00 0.00 C ATOM 1243 CD2 LEU A 339 2.833 10.680 5.783 1.00 0.00 C ATOM 0 H LEU A 339 -0.534 7.360 7.043 1.00 0.00 H new ATOM 0 HA LEU A 339 -0.456 10.194 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 339 1.447 8.434 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 339 1.629 8.536 6.036 1.00 0.00 H new ATOM 0 HG LEU A 339 1.429 11.163 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 339 3.634 11.153 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 339 2.488 10.072 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 339 3.737 9.393 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 339 3.417 11.590 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 339 3.498 9.860 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 339 2.104 10.835 4.987 1.00 0.00 H new ATOM 1255 N LEU A 340 -0.448 8.998 4.427 1.00 0.00 N ATOM 1256 CA LEU A 340 -0.671 9.339 3.023 1.00 0.00 C ATOM 1257 C LEU A 340 -1.868 10.259 2.864 1.00 0.00 C ATOM 1258 O LEU A 340 -1.855 11.178 2.046 1.00 0.00 O ATOM 1259 CB LEU A 340 -0.874 8.080 2.173 1.00 0.00 C ATOM 1260 CG LEU A 340 -1.728 6.993 2.817 1.00 0.00 C ATOM 1261 CD1 LEU A 340 -3.192 7.303 2.594 1.00 0.00 C ATOM 1262 CD2 LEU A 340 -1.390 5.617 2.259 1.00 0.00 C ATOM 0 H LEU A 340 -0.295 8.004 4.599 1.00 0.00 H new ATOM 0 HA LEU A 340 0.221 9.860 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 340 -1.334 8.369 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 340 0.103 7.659 1.936 1.00 0.00 H new ATOM 0 HG LEU A 340 -1.516 6.977 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 340 -3.803 6.526 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 340 -3.432 8.267 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 340 -3.397 7.340 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 340 -2.017 4.866 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 340 -1.570 5.606 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 340 -0.341 5.393 2.454 1.00 0.00 H new ATOM 1274 N GLN A 341 -2.895 10.012 3.653 1.00 0.00 N ATOM 1275 CA GLN A 341 -4.096 10.821 3.600 1.00 0.00 C ATOM 1276 C GLN A 341 -3.939 12.101 4.415 1.00 0.00 C ATOM 1277 O GLN A 341 -4.266 13.186 3.945 1.00 0.00 O ATOM 1278 CB GLN A 341 -5.296 10.023 4.112 1.00 0.00 C ATOM 1279 CG GLN A 341 -6.088 9.354 3.003 1.00 0.00 C ATOM 1280 CD GLN A 341 -6.847 8.134 3.482 1.00 0.00 C ATOM 1281 OE1 GLN A 341 -8.012 8.223 3.863 1.00 0.00 O ATOM 1282 NE2 GLN A 341 -6.183 6.988 3.461 1.00 0.00 N ATOM 0 H GLN A 341 -2.922 9.257 4.339 1.00 0.00 H new ATOM 0 HA GLN A 341 -4.265 11.098 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 341 -4.947 9.262 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 341 -5.955 10.688 4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 341 -6.791 10.072 2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 341 -5.409 9.063 2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 341 -5.216 6.964 3.136 1.00 0.00 H new ATOM 0 HE22 GLN A 341 -6.638 6.129 3.770 1.00 0.00 H new ATOM 1291 N ARG A 342 -3.482 11.947 5.656 1.00 0.00 N ATOM 1292 CA ARG A 342 -3.330 13.069 6.585 1.00 0.00 C ATOM 1293 C ARG A 342 -2.237 14.072 6.193 1.00 0.00 C ATOM 1294 O ARG A 342 -2.523 15.257 6.013 1.00 0.00 O ATOM 1295 CB ARG A 342 -3.042 12.521 7.980 1.00 0.00 C ATOM 1296 CG ARG A 342 -4.266 11.936 8.667 1.00 0.00 C ATOM 1297 CD ARG A 342 -4.210 12.127 10.175 1.00 0.00 C ATOM 1298 NE ARG A 342 -5.151 13.147 10.632 1.00 0.00 N ATOM 1299 CZ ARG A 342 -4.896 14.456 10.631 1.00 0.00 C ATOM 1300 NH1 ARG A 342 -3.710 14.912 10.245 1.00 0.00 N ATOM 1301 NH2 ARG A 342 -5.827 15.313 11.027 1.00 0.00 N ATOM 0 H ARG A 342 -3.207 11.046 6.046 1.00 0.00 H new ATOM 0 HA ARG A 342 -4.268 13.624 6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 342 -2.273 11.752 7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -2.635 13.321 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -5.165 12.410 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 342 -4.339 10.873 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 342 -4.432 11.181 10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -3.199 12.409 10.468 1.00 0.00 H new ATOM 0 HE ARG A 342 -6.061 12.838 10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 342 -2.985 14.259 9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 342 -3.524 15.915 10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 342 -6.738 14.971 11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 342 -5.632 16.314 11.026 1.00 0.00 H new ATOM 1315 N GLU A 343 -0.986 13.621 6.091 1.00 0.00 N ATOM 1316 CA GLU A 343 0.120 14.525 5.755 1.00 0.00 C ATOM 1317 C GLU A 343 -0.052 15.121 4.360 1.00 0.00 C ATOM 1318 O GLU A 343 0.189 16.310 4.158 1.00 0.00 O ATOM 1319 CB GLU A 343 1.474 13.810 5.862 1.00 0.00 C ATOM 1320 CG GLU A 343 1.811 13.345 7.269 1.00 0.00 C ATOM 1321 CD GLU A 343 2.306 14.461 8.162 1.00 0.00 C ATOM 1322 OE1 GLU A 343 3.126 15.278 7.693 1.00 0.00 O ATOM 1323 OE2 GLU A 343 1.884 14.509 9.336 1.00 0.00 O ATOM 0 H GLU A 343 -0.713 12.649 6.234 1.00 0.00 H new ATOM 0 HA GLU A 343 0.101 15.339 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 343 1.473 12.948 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 343 2.258 14.482 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 343 0.926 12.895 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 343 2.572 12.567 7.215 1.00 0.00 H new ATOM 1746 N GLU B 16 14.119 1.360 1.229 1.00 0.00 N ATOM 1747 CA GLU B 16 12.692 1.582 1.419 1.00 0.00 C ATOM 1748 C GLU B 16 11.863 0.549 0.657 1.00 0.00 C ATOM 1749 O GLU B 16 10.798 0.135 1.116 1.00 0.00 O ATOM 1750 CB GLU B 16 12.320 2.988 0.955 1.00 0.00 C ATOM 1751 CG GLU B 16 11.414 3.717 1.922 1.00 0.00 C ATOM 1752 CD GLU B 16 12.085 4.012 3.250 1.00 0.00 C ATOM 1753 OE1 GLU B 16 12.957 3.221 3.664 1.00 0.00 O ATOM 1754 OE2 GLU B 16 11.738 5.035 3.878 1.00 0.00 O ATOM 0 HA GLU B 16 12.472 1.477 2.481 1.00 0.00 H new ATOM 0 HB2 GLU B 16 13.231 3.569 0.813 1.00 0.00 H new ATOM 0 HB3 GLU B 16 11.828 2.925 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU B 16 11.087 4.653 1.470 1.00 0.00 H new ATOM 0 HG3 GLU B 16 10.520 3.118 2.097 1.00 0.00 H new ATOM 1761 N LEU B 17 12.356 0.142 -0.510 1.00 0.00 N ATOM 1762 CA LEU B 17 11.658 -0.838 -1.333 1.00 0.00 C ATOM 1763 C LEU B 17 12.108 -2.257 -0.992 1.00 0.00 C ATOM 1764 O LEU B 17 11.336 -3.207 -1.107 1.00 0.00 O ATOM 1765 CB LEU B 17 11.904 -0.545 -2.815 1.00 0.00 C ATOM 1766 CG LEU B 17 10.790 0.237 -3.505 1.00 0.00 C ATOM 1767 CD1 LEU B 17 9.524 -0.588 -3.549 1.00 0.00 C ATOM 1768 CD2 LEU B 17 10.527 1.554 -2.800 1.00 0.00 C ATOM 0 H LEU B 17 13.235 0.476 -0.905 1.00 0.00 H new ATOM 0 HA LEU B 17 10.590 -0.763 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU B 17 12.835 0.014 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU B 17 12.044 -1.490 -3.340 1.00 0.00 H new ATOM 0 HG LEU B 17 11.112 0.455 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.736 -0.020 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.709 -1.509 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.213 -0.831 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.729 2.089 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.230 1.362 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.434 2.159 -2.809 1.00 0.00 H new ATOM 1780 N SER B 18 13.361 -2.387 -0.575 1.00 0.00 N ATOM 1781 CA SER B 18 13.926 -3.689 -0.218 1.00 0.00 C ATOM 1782 C SER B 18 13.466 -4.129 1.161 1.00 0.00 C ATOM 1783 O SER B 18 13.435 -5.321 1.463 1.00 0.00 O ATOM 1784 CB SER B 18 15.458 -3.643 -0.239 1.00 0.00 C ATOM 1785 OG SER B 18 16.003 -4.910 -0.572 1.00 0.00 O ATOM 0 H SER B 18 14.010 -1.606 -0.474 1.00 0.00 H new ATOM 0 HA SER B 18 13.572 -4.406 -0.959 1.00 0.00 H new ATOM 0 HB2 SER B 18 15.793 -2.899 -0.962 1.00 0.00 H new ATOM 0 HB3 SER B 18 15.829 -3.329 0.737 1.00 0.00 H new ATOM 0 HG SER B 18 16.981 -4.853 -0.580 1.00 0.00 H new ATOM 1791 N ASP B 19 13.121 -3.164 2.001 1.00 0.00 N ATOM 1792 CA ASP B 19 12.680 -3.468 3.352 1.00 0.00 C ATOM 1793 C ASP B 19 11.463 -4.373 3.329 1.00 0.00 C ATOM 1794 O ASP B 19 11.275 -5.190 4.228 1.00 0.00 O ATOM 1795 CB ASP B 19 12.344 -2.187 4.113 1.00 0.00 C ATOM 1796 CG ASP B 19 12.878 -2.207 5.529 1.00 0.00 C ATOM 1797 OD1 ASP B 19 14.031 -1.776 5.734 1.00 0.00 O ATOM 1798 OD2 ASP B 19 12.145 -2.659 6.433 1.00 0.00 O ATOM 0 H ASP B 19 13.138 -2.170 1.772 1.00 0.00 H new ATOM 0 HA ASP B 19 13.497 -3.981 3.860 1.00 0.00 H new ATOM 0 HB2 ASP B 19 12.760 -1.331 3.582 1.00 0.00 H new ATOM 0 HB3 ASP B 19 11.263 -2.053 4.136 1.00 0.00 H new ATOM 1803 N LEU B 20 10.628 -4.213 2.310 1.00 0.00 N ATOM 1804 CA LEU B 20 9.422 -5.012 2.206 1.00 0.00 C ATOM 1805 C LEU B 20 9.359 -5.780 0.883 1.00 0.00 C ATOM 1806 O LEU B 20 8.546 -6.689 0.732 1.00 0.00 O ATOM 1807 CB LEU B 20 8.182 -4.127 2.365 1.00 0.00 C ATOM 1808 CG LEU B 20 8.332 -2.919 3.296 1.00 0.00 C ATOM 1809 CD1 LEU B 20 7.899 -1.638 2.596 1.00 0.00 C ATOM 1810 CD2 LEU B 20 7.518 -3.123 4.567 1.00 0.00 C ATOM 0 H LEU B 20 10.765 -3.543 1.553 1.00 0.00 H new ATOM 0 HA LEU B 20 9.444 -5.746 3.012 1.00 0.00 H new ATOM 0 HB2 LEU B 20 7.889 -3.766 1.379 1.00 0.00 H new ATOM 0 HB3 LEU B 20 7.364 -4.745 2.734 1.00 0.00 H new ATOM 0 HG LEU B 20 9.385 -2.826 3.563 1.00 0.00 H new ATOM 0 HD11 LEU B 20 8.014 -0.795 3.277 1.00 0.00 H new ATOM 0 HD12 LEU B 20 8.518 -1.479 1.713 1.00 0.00 H new ATOM 0 HD13 LEU B 20 6.854 -1.722 2.297 1.00 0.00 H new ATOM 0 HD21 LEU B 20 7.635 -2.256 5.217 1.00 0.00 H new ATOM 0 HD22 LEU B 20 6.466 -3.244 4.310 1.00 0.00 H new ATOM 0 HD23 LEU B 20 7.870 -4.015 5.085 1.00 0.00 H new ATOM 1822 N LEU B 21 10.223 -5.429 -0.072 1.00 0.00 N ATOM 1823 CA LEU B 21 10.244 -6.125 -1.363 1.00 0.00 C ATOM 1824 C LEU B 21 11.640 -6.689 -1.649 1.00 0.00 C ATOM 1825 O LEU B 21 12.525 -6.636 -0.795 1.00 0.00 O ATOM 1826 CB LEU B 21 9.803 -5.194 -2.506 1.00 0.00 C ATOM 1827 CG LEU B 21 8.505 -4.409 -2.271 1.00 0.00 C ATOM 1828 CD1 LEU B 21 8.221 -3.449 -3.424 1.00 0.00 C ATOM 1829 CD2 LEU B 21 7.322 -5.343 -2.071 1.00 0.00 C ATOM 0 H LEU B 21 10.908 -4.679 0.020 1.00 0.00 H new ATOM 0 HA LEU B 21 9.536 -6.951 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU B 21 10.605 -4.482 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU B 21 9.684 -5.792 -3.410 1.00 0.00 H new ATOM 0 HG LEU B 21 8.644 -3.826 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.295 -2.908 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU B 21 9.043 -2.739 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU B 21 8.122 -4.013 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.418 -4.756 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.195 -5.964 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU B 21 7.503 -5.979 -1.205 1.00 0.00 H new