USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 329 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 310 THR OG1 : rot 171:sc= 1.12 USER MOD Set 1.2: A 325 HIS : no HE2:sc= 0.91 K(o=2,f=-6.7!) USER MOD Single : A 283 SER OG : rot 40:sc= 0.188 USER MOD Single : A 285 LYS NZ :NH3+ 162:sc= -0.091 (180deg=-0.431) USER MOD Single : A 290 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 296 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 299 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 302 ASN : amide:sc= 0.12 K(o=0.12,f=-5.8!) USER MOD Single : A 314 GLN :FLIP amide:sc= -0.111 F(o=-0.91,f=-0.11) USER MOD Single : A 315 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 321 LYS NZ :NH3+ -170:sc=-0.00329 (180deg=-0.105) USER MOD Single : A 323 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 336 TYR OH : rot 30:sc= -0.0778 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N SER A 283 -10.251 -7.882 -1.455 1.00 0.00 N ATOM 8 CA SER A 283 -9.905 -6.779 -0.579 1.00 0.00 C ATOM 9 C SER A 283 -9.255 -7.316 0.695 1.00 0.00 C ATOM 10 O SER A 283 -9.913 -7.936 1.526 1.00 0.00 O ATOM 11 CB SER A 283 -11.144 -5.928 -0.256 1.00 0.00 C ATOM 12 OG SER A 283 -12.225 -6.734 0.192 1.00 0.00 O ATOM 0 HA SER A 283 -9.189 -6.133 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 283 -10.893 -5.194 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 283 -11.446 -5.372 -1.143 1.00 0.00 H new ATOM 0 HG SER A 283 -11.885 -7.440 0.781 1.00 0.00 H new ATOM 18 N LEU A 284 -7.961 -7.103 0.824 1.00 0.00 N ATOM 19 CA LEU A 284 -7.216 -7.605 1.972 1.00 0.00 C ATOM 20 C LEU A 284 -6.704 -6.452 2.817 1.00 0.00 C ATOM 21 O LEU A 284 -6.735 -5.300 2.390 1.00 0.00 O ATOM 22 CB LEU A 284 -6.033 -8.492 1.528 1.00 0.00 C ATOM 23 CG LEU A 284 -6.378 -9.842 0.861 1.00 0.00 C ATOM 24 CD1 LEU A 284 -7.381 -10.624 1.692 1.00 0.00 C ATOM 25 CD2 LEU A 284 -6.879 -9.648 -0.568 1.00 0.00 C ATOM 0 H LEU A 284 -7.398 -6.585 0.149 1.00 0.00 H new ATOM 0 HA LEU A 284 -7.897 -8.213 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 284 -5.422 -7.917 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 284 -5.415 -8.695 2.403 1.00 0.00 H new ATOM 0 HG LEU A 284 -5.459 -10.426 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 284 -7.605 -11.569 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 284 -6.961 -10.821 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 284 -8.298 -10.044 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 284 -7.112 -10.618 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 284 -7.776 -9.029 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 284 -6.107 -9.158 -1.161 1.00 0.00 H new ATOM 37 N LYS A 285 -6.230 -6.758 4.005 1.00 0.00 N ATOM 38 CA LYS A 285 -5.716 -5.732 4.886 1.00 0.00 C ATOM 39 C LYS A 285 -4.341 -6.114 5.411 1.00 0.00 C ATOM 40 O LYS A 285 -4.070 -7.282 5.691 1.00 0.00 O ATOM 41 CB LYS A 285 -6.681 -5.484 6.057 1.00 0.00 C ATOM 42 CG LYS A 285 -6.708 -6.602 7.097 1.00 0.00 C ATOM 43 CD LYS A 285 -7.744 -6.339 8.182 1.00 0.00 C ATOM 44 CE LYS A 285 -9.160 -6.488 7.650 1.00 0.00 C ATOM 45 NZ LYS A 285 -9.431 -7.868 7.171 1.00 0.00 N ATOM 0 H LYS A 285 -6.190 -7.705 4.382 1.00 0.00 H new ATOM 0 HA LYS A 285 -5.625 -4.810 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 285 -6.404 -4.552 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 285 -7.687 -5.348 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 285 -6.928 -7.550 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 285 -5.722 -6.700 7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 285 -7.590 -7.033 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 285 -7.608 -5.333 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 285 -9.871 -6.230 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 285 -9.317 -5.783 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 285 -10.458 -8.017 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 285 -9.001 -8.001 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 285 -9.024 -8.553 7.839 1.00 0.00 H new ATOM 48 N VAL A 286 -3.478 -5.135 5.515 1.00 0.00 N ATOM 49 CA VAL A 286 -2.152 -5.340 6.051 1.00 0.00 C ATOM 50 C VAL A 286 -1.931 -4.413 7.237 1.00 0.00 C ATOM 51 O VAL A 286 -2.433 -3.286 7.257 1.00 0.00 O ATOM 52 CB VAL A 286 -1.046 -5.114 4.984 1.00 0.00 C ATOM 53 CG1 VAL A 286 -1.133 -6.164 3.886 1.00 0.00 C ATOM 54 CG2 VAL A 286 -1.137 -3.715 4.391 1.00 0.00 C ATOM 0 H VAL A 286 -3.672 -4.175 5.232 1.00 0.00 H new ATOM 0 HA VAL A 286 -2.082 -6.379 6.373 1.00 0.00 H new ATOM 0 HB VAL A 286 -0.080 -5.211 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 286 -0.349 -5.986 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 286 -1.005 -7.156 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 286 -2.107 -6.103 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 286 -0.351 -3.583 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 286 -2.110 -3.583 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 286 -1.015 -2.976 5.183 1.00 0.00 H new ATOM 64 N ARG A 287 -1.205 -4.887 8.221 1.00 0.00 N ATOM 65 CA ARG A 287 -0.947 -4.107 9.417 1.00 0.00 C ATOM 66 C ARG A 287 0.453 -3.529 9.372 1.00 0.00 C ATOM 67 O ARG A 287 1.416 -4.248 9.116 1.00 0.00 O ATOM 68 CB ARG A 287 -1.116 -4.983 10.658 1.00 0.00 C ATOM 69 CG ARG A 287 -2.507 -5.582 10.790 1.00 0.00 C ATOM 70 CD ARG A 287 -2.578 -6.585 11.923 1.00 0.00 C ATOM 71 NE ARG A 287 -3.926 -7.139 12.076 1.00 0.00 N ATOM 72 CZ ARG A 287 -4.230 -8.434 11.942 1.00 0.00 C ATOM 73 NH1 ARG A 287 -3.294 -9.306 11.594 1.00 0.00 N ATOM 74 NH2 ARG A 287 -5.476 -8.849 12.134 1.00 0.00 N ATOM 0 H ARG A 287 -0.779 -5.814 8.221 1.00 0.00 H new ATOM 0 HA ARG A 287 -1.662 -3.286 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 287 -0.383 -5.789 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 287 -0.899 -4.389 11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 287 -3.231 -4.786 10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 287 -2.784 -6.069 9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 287 -1.872 -7.394 11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 287 -2.275 -6.105 12.853 1.00 0.00 H new ATOM 0 HE ARG A 287 -4.683 -6.493 12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 287 -2.339 -8.990 11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 287 -3.529 -10.293 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 287 -6.204 -8.179 12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 287 -5.706 -9.837 12.031 1.00 0.00 H new ATOM 77 N ALA A 288 0.563 -2.236 9.605 1.00 0.00 N ATOM 78 CA ALA A 288 1.852 -1.568 9.565 1.00 0.00 C ATOM 79 C ALA A 288 2.572 -1.685 10.898 1.00 0.00 C ATOM 80 O ALA A 288 2.081 -1.214 11.923 1.00 0.00 O ATOM 81 CB ALA A 288 1.679 -0.107 9.185 1.00 0.00 C ATOM 0 H ALA A 288 -0.224 -1.625 9.824 1.00 0.00 H new ATOM 0 HA ALA A 288 2.462 -2.059 8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 288 2.654 0.380 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 288 1.213 -0.039 8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 288 1.045 0.388 9.921 1.00 0.00 H new ATOM 87 N LEU A 289 3.727 -2.333 10.883 1.00 0.00 N ATOM 88 CA LEU A 289 4.539 -2.466 12.085 1.00 0.00 C ATOM 89 C LEU A 289 5.515 -1.311 12.168 1.00 0.00 C ATOM 90 O LEU A 289 5.992 -0.956 13.243 1.00 0.00 O ATOM 91 CB LEU A 289 5.293 -3.809 12.114 1.00 0.00 C ATOM 92 CG LEU A 289 4.478 -5.052 12.532 1.00 0.00 C ATOM 93 CD1 LEU A 289 3.867 -4.864 13.913 1.00 0.00 C ATOM 94 CD2 LEU A 289 3.402 -5.379 11.508 1.00 0.00 C ATOM 0 H LEU A 289 4.123 -2.775 10.053 1.00 0.00 H new ATOM 0 HA LEU A 289 3.876 -2.445 12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 289 5.704 -3.990 11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 289 6.138 -3.711 12.796 1.00 0.00 H new ATOM 0 HG LEU A 289 5.166 -5.897 12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 289 3.298 -5.754 14.183 1.00 0.00 H new ATOM 0 HD12 LEU A 289 4.660 -4.705 14.643 1.00 0.00 H new ATOM 0 HD13 LEU A 289 3.204 -3.999 13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 289 2.847 -6.259 11.832 1.00 0.00 H new ATOM 0 HD22 LEU A 289 2.720 -4.534 11.414 1.00 0.00 H new ATOM 0 HD23 LEU A 289 3.867 -5.579 10.543 1.00 0.00 H new ATOM 106 N LYS A 290 5.802 -0.727 11.024 1.00 0.00 N ATOM 107 CA LYS A 290 6.671 0.421 10.944 1.00 0.00 C ATOM 108 C LYS A 290 5.880 1.595 10.392 1.00 0.00 C ATOM 109 O LYS A 290 4.985 1.411 9.568 1.00 0.00 O ATOM 110 CB LYS A 290 7.884 0.104 10.047 1.00 0.00 C ATOM 111 CG LYS A 290 8.788 1.292 9.742 1.00 0.00 C ATOM 112 CD LYS A 290 9.485 1.796 10.987 1.00 0.00 C ATOM 113 CE LYS A 290 10.429 2.942 10.668 1.00 0.00 C ATOM 114 NZ LYS A 290 11.126 3.446 11.877 1.00 0.00 N ATOM 0 H LYS A 290 5.437 -1.038 10.124 1.00 0.00 H new ATOM 0 HA LYS A 290 7.046 0.676 11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 290 8.479 -0.672 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 290 7.522 -0.309 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 290 9.532 1.003 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 290 8.197 2.097 9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 290 8.742 2.126 11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 290 10.043 0.981 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 290 11.166 2.610 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 290 9.868 3.756 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 11.760 4.227 11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 10.425 3.787 12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 11.683 2.678 12.302 1.00 0.00 H new ATOM 117 N ASP A 291 6.201 2.787 10.848 1.00 0.00 N ATOM 118 CA ASP A 291 5.506 3.981 10.407 1.00 0.00 C ATOM 119 C ASP A 291 6.040 4.435 9.065 1.00 0.00 C ATOM 120 O ASP A 291 7.256 4.442 8.840 1.00 0.00 O ATOM 121 CB ASP A 291 5.686 5.127 11.418 1.00 0.00 C ATOM 122 CG ASP A 291 5.258 4.771 12.827 1.00 0.00 C ATOM 123 OD1 ASP A 291 6.031 4.085 13.537 1.00 0.00 O ATOM 124 OD2 ASP A 291 4.156 5.191 13.244 1.00 0.00 O ATOM 0 H ASP A 291 6.943 2.957 11.527 1.00 0.00 H new ATOM 0 HA ASP A 291 4.448 3.734 10.324 1.00 0.00 H new ATOM 0 HB2 ASP A 291 6.734 5.426 11.431 1.00 0.00 H new ATOM 0 HB3 ASP A 291 5.112 5.990 11.081 1.00 0.00 H new ATOM 127 N PHE A 292 5.147 4.787 8.170 1.00 0.00 N ATOM 128 CA PHE A 292 5.548 5.355 6.906 1.00 0.00 C ATOM 129 C PHE A 292 5.392 6.852 7.026 1.00 0.00 C ATOM 130 O PHE A 292 4.275 7.364 7.158 1.00 0.00 O ATOM 131 CB PHE A 292 4.705 4.804 5.753 1.00 0.00 C ATOM 132 CG PHE A 292 5.287 5.073 4.385 1.00 0.00 C ATOM 133 CD1 PHE A 292 6.403 4.382 3.942 1.00 0.00 C ATOM 134 CD2 PHE A 292 4.717 6.012 3.545 1.00 0.00 C ATOM 135 CE1 PHE A 292 6.935 4.623 2.691 1.00 0.00 C ATOM 136 CE2 PHE A 292 5.240 6.256 2.294 1.00 0.00 C ATOM 137 CZ PHE A 292 6.353 5.562 1.866 1.00 0.00 C ATOM 0 H PHE A 292 4.139 4.690 8.294 1.00 0.00 H new ATOM 0 HA PHE A 292 6.581 5.091 6.681 1.00 0.00 H new ATOM 0 HB2 PHE A 292 4.589 3.728 5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 292 3.707 5.240 5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 292 6.863 3.645 4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 292 3.848 6.563 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 292 7.806 4.077 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 292 4.779 6.990 1.649 1.00 0.00 H new ATOM 0 HZ PHE A 292 6.767 5.754 0.887 1.00 0.00 H new ATOM 143 N TRP A 293 6.502 7.547 7.005 1.00 0.00 N ATOM 144 CA TRP A 293 6.509 8.966 7.258 1.00 0.00 C ATOM 145 C TRP A 293 6.029 9.776 6.054 1.00 0.00 C ATOM 146 O TRP A 293 5.902 9.258 4.949 1.00 0.00 O ATOM 147 CB TRP A 293 7.906 9.414 7.703 1.00 0.00 C ATOM 148 CG TRP A 293 7.908 10.745 8.382 1.00 0.00 C ATOM 149 CD1 TRP A 293 8.616 11.849 8.019 1.00 0.00 C ATOM 150 CD2 TRP A 293 7.144 11.117 9.532 1.00 0.00 C ATOM 151 NE1 TRP A 293 8.347 12.881 8.879 1.00 0.00 N ATOM 152 CE2 TRP A 293 7.444 12.457 9.816 1.00 0.00 C ATOM 153 CE3 TRP A 293 6.234 10.442 10.352 1.00 0.00 C ATOM 154 CZ2 TRP A 293 6.869 13.137 10.882 1.00 0.00 C ATOM 155 CZ3 TRP A 293 5.666 11.117 11.408 1.00 0.00 C ATOM 156 CH2 TRP A 293 5.982 12.452 11.666 1.00 0.00 C ATOM 0 H TRP A 293 7.421 7.148 6.813 1.00 0.00 H new ATOM 0 HA TRP A 293 5.800 9.160 8.063 1.00 0.00 H new ATOM 0 HB2 TRP A 293 8.322 8.667 8.380 1.00 0.00 H new ATOM 0 HB3 TRP A 293 8.561 9.456 6.833 1.00 0.00 H new ATOM 0 HD1 TRP A 293 9.290 11.904 7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 293 8.754 13.815 8.829 1.00 0.00 H new ATOM 0 HE3 TRP A 293 5.982 9.410 10.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 293 7.113 14.169 11.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 293 4.963 10.605 12.049 1.00 0.00 H new ATOM 0 HH2 TRP A 293 5.517 12.954 12.501 1.00 0.00 H new ATOM 162 N ASN A 294 5.762 11.048 6.300 1.00 0.00 N ATOM 163 CA ASN A 294 5.287 11.974 5.287 1.00 0.00 C ATOM 164 C ASN A 294 6.414 12.386 4.341 1.00 0.00 C ATOM 165 O ASN A 294 7.518 12.715 4.781 1.00 0.00 O ATOM 166 CB ASN A 294 4.699 13.218 5.971 1.00 0.00 C ATOM 167 CG ASN A 294 4.352 14.336 5.000 1.00 0.00 C ATOM 168 OD1 ASN A 294 5.186 15.191 4.695 1.00 0.00 O ATOM 169 ND2 ASN A 294 3.122 14.349 4.533 1.00 0.00 N ATOM 0 H ASN A 294 5.871 11.471 7.222 1.00 0.00 H new ATOM 0 HA ASN A 294 4.518 11.476 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 294 3.801 12.932 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 294 5.414 13.592 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 294 2.827 15.086 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 294 2.463 13.622 4.811 1.00 0.00 H new ATOM 176 N LEU A 295 6.132 12.357 3.048 1.00 0.00 N ATOM 177 CA LEU A 295 7.089 12.778 2.038 1.00 0.00 C ATOM 178 C LEU A 295 6.637 14.089 1.414 1.00 0.00 C ATOM 179 O LEU A 295 5.567 14.599 1.738 1.00 0.00 O ATOM 180 CB LEU A 295 7.270 11.710 0.942 1.00 0.00 C ATOM 181 CG LEU A 295 8.110 10.478 1.314 1.00 0.00 C ATOM 182 CD1 LEU A 295 7.360 9.556 2.256 1.00 0.00 C ATOM 183 CD2 LEU A 295 8.532 9.730 0.065 1.00 0.00 C ATOM 0 H LEU A 295 5.238 12.043 2.671 1.00 0.00 H new ATOM 0 HA LEU A 295 8.052 12.917 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 295 6.282 11.368 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 295 7.728 12.186 0.075 1.00 0.00 H new ATOM 0 HG LEU A 295 9.002 10.828 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 295 7.985 8.696 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 295 7.113 10.094 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 295 6.442 9.215 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 295 9.126 8.860 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 295 7.646 9.404 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 295 9.127 10.387 -0.569 1.00 0.00 H new ATOM 195 N HIS A 296 7.438 14.622 0.508 1.00 0.00 N ATOM 196 CA HIS A 296 7.132 15.900 -0.142 1.00 0.00 C ATOM 197 C HIS A 296 6.162 15.729 -1.314 1.00 0.00 C ATOM 198 O HIS A 296 6.355 16.314 -2.380 1.00 0.00 O ATOM 199 CB HIS A 296 8.418 16.578 -0.620 1.00 0.00 C ATOM 200 CG HIS A 296 9.228 17.193 0.479 1.00 0.00 C ATOM 201 ND1 HIS A 296 9.548 18.531 0.516 1.00 0.00 N ATOM 202 CD2 HIS A 296 9.796 16.648 1.579 1.00 0.00 C ATOM 203 CE1 HIS A 296 10.274 18.780 1.584 1.00 0.00 C ATOM 204 NE2 HIS A 296 10.437 17.656 2.246 1.00 0.00 N ATOM 0 H HIS A 296 8.311 14.193 0.200 1.00 0.00 H new ATOM 0 HA HIS A 296 6.646 16.532 0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 296 9.031 15.843 -1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 296 8.161 17.351 -1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 296 9.752 15.610 1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 296 10.669 19.744 1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 296 10.958 17.552 3.117 1.00 0.00 H new ATOM 209 N ASP A 297 5.116 14.950 -1.103 1.00 0.00 N ATOM 210 CA ASP A 297 4.106 14.715 -2.127 1.00 0.00 C ATOM 211 C ASP A 297 2.832 14.175 -1.481 1.00 0.00 C ATOM 212 O ASP A 297 2.902 13.343 -0.581 1.00 0.00 O ATOM 213 CB ASP A 297 4.627 13.733 -3.191 1.00 0.00 C ATOM 214 CG ASP A 297 3.657 13.553 -4.344 1.00 0.00 C ATOM 215 OD1 ASP A 297 3.735 14.321 -5.326 1.00 0.00 O ATOM 216 OD2 ASP A 297 2.810 12.653 -4.275 1.00 0.00 O ATOM 0 H ASP A 297 4.941 14.464 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 297 3.881 15.660 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.581 14.093 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 297 4.816 12.766 -2.726 1.00 0.00 H new ATOM 219 N PRO A 298 1.652 14.657 -1.922 1.00 0.00 N ATOM 220 CA PRO A 298 0.348 14.239 -1.368 1.00 0.00 C ATOM 221 C PRO A 298 0.081 12.728 -1.478 1.00 0.00 C ATOM 222 O PRO A 298 -0.767 12.193 -0.761 1.00 0.00 O ATOM 223 CB PRO A 298 -0.671 15.022 -2.213 1.00 0.00 C ATOM 224 CG PRO A 298 0.085 15.444 -3.428 1.00 0.00 C ATOM 225 CD PRO A 298 1.490 15.663 -2.978 1.00 0.00 C ATOM 0 HA PRO A 298 0.298 14.443 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 298 -1.527 14.401 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 298 -1.057 15.884 -1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 298 0.038 14.679 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 298 -0.336 16.355 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 298 2.203 15.516 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 298 1.641 16.674 -2.600 1.00 0.00 H new ATOM 233 N THR A 299 0.809 12.045 -2.356 1.00 0.00 N ATOM 234 CA THR A 299 0.623 10.611 -2.542 1.00 0.00 C ATOM 235 C THR A 299 1.352 9.816 -1.442 1.00 0.00 C ATOM 236 O THR A 299 1.341 8.581 -1.432 1.00 0.00 O ATOM 237 CB THR A 299 1.126 10.161 -3.930 1.00 0.00 C ATOM 238 OG1 THR A 299 0.779 11.153 -4.905 1.00 0.00 O ATOM 239 CG2 THR A 299 0.500 8.832 -4.332 1.00 0.00 C ATOM 0 H THR A 299 1.530 12.459 -2.947 1.00 0.00 H new ATOM 0 HA THR A 299 -0.446 10.408 -2.475 1.00 0.00 H new ATOM 0 HB THR A 299 2.208 10.038 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 299 1.550 11.735 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 299 0.871 8.537 -5.314 1.00 0.00 H new ATOM 0 HG22 THR A 299 0.765 8.069 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 299 -0.584 8.937 -4.370 1.00 0.00 H new ATOM 246 N ALA A 300 1.989 10.536 -0.521 1.00 0.00 N ATOM 247 CA ALA A 300 2.670 9.908 0.593 1.00 0.00 C ATOM 248 C ALA A 300 1.659 9.250 1.514 1.00 0.00 C ATOM 249 O ALA A 300 0.718 9.898 1.991 1.00 0.00 O ATOM 250 CB ALA A 300 3.501 10.925 1.357 1.00 0.00 C ATOM 0 H ALA A 300 2.044 11.554 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 300 3.343 9.144 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.004 10.432 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 300 4.245 11.361 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 300 2.851 11.712 1.740 1.00 0.00 H new ATOM 256 N LEU A 301 1.841 7.974 1.755 1.00 0.00 N ATOM 257 CA LEU A 301 0.923 7.230 2.577 1.00 0.00 C ATOM 258 C LEU A 301 1.334 7.305 4.039 1.00 0.00 C ATOM 259 O LEU A 301 2.058 6.452 4.534 1.00 0.00 O ATOM 260 CB LEU A 301 0.884 5.775 2.113 1.00 0.00 C ATOM 261 CG LEU A 301 -0.241 4.925 2.674 1.00 0.00 C ATOM 262 CD1 LEU A 301 -1.584 5.390 2.130 1.00 0.00 C ATOM 263 CD2 LEU A 301 -0.004 3.464 2.348 1.00 0.00 C ATOM 0 H LEU A 301 2.622 7.428 1.390 1.00 0.00 H new ATOM 0 HA LEU A 301 -0.072 7.665 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 301 0.813 5.764 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 301 1.832 5.306 2.375 1.00 0.00 H new ATOM 0 HG LEU A 301 -0.258 5.038 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -2.379 4.769 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -1.751 6.429 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -1.585 5.305 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -0.817 2.864 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 301 0.036 3.334 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 301 0.940 3.142 2.787 1.00 0.00 H new ATOM 275 N ASN A 302 0.872 8.329 4.722 1.00 0.00 N ATOM 276 CA ASN A 302 1.208 8.509 6.123 1.00 0.00 C ATOM 277 C ASN A 302 0.443 7.528 7.001 1.00 0.00 C ATOM 278 O ASN A 302 -0.726 7.737 7.334 1.00 0.00 O ATOM 279 CB ASN A 302 0.983 9.970 6.589 1.00 0.00 C ATOM 280 CG ASN A 302 -0.432 10.491 6.348 1.00 0.00 C ATOM 281 OD1 ASN A 302 -1.083 10.143 5.364 1.00 0.00 O ATOM 282 ND2 ASN A 302 -0.914 11.323 7.248 1.00 0.00 N ATOM 0 H ASN A 302 0.264 9.050 4.334 1.00 0.00 H new ATOM 0 HA ASN A 302 2.272 8.298 6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 302 1.208 10.039 7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 302 1.690 10.618 6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 302 -1.856 11.700 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 302 -0.346 11.590 8.052 1.00 0.00 H new ATOM 289 N VAL A 303 1.099 6.444 7.346 1.00 0.00 N ATOM 290 CA VAL A 303 0.508 5.436 8.187 1.00 0.00 C ATOM 291 C VAL A 303 1.378 5.210 9.411 1.00 0.00 C ATOM 292 O VAL A 303 2.608 5.214 9.322 1.00 0.00 O ATOM 293 CB VAL A 303 0.276 4.099 7.425 1.00 0.00 C ATOM 294 CG1 VAL A 303 1.585 3.489 6.946 1.00 0.00 C ATOM 295 CG2 VAL A 303 -0.500 3.112 8.285 1.00 0.00 C ATOM 0 H VAL A 303 2.054 6.239 7.051 1.00 0.00 H new ATOM 0 HA VAL A 303 -0.471 5.797 8.501 1.00 0.00 H new ATOM 0 HB VAL A 303 -0.320 4.326 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 303 1.381 2.557 6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 303 2.086 4.185 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 303 2.228 3.288 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -0.650 2.186 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 303 0.061 2.903 9.196 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.468 3.539 8.545 1.00 0.00 H new ATOM 305 N ARG A 304 0.746 5.040 10.547 1.00 0.00 N ATOM 306 CA ARG A 304 1.453 4.855 11.792 1.00 0.00 C ATOM 307 C ARG A 304 1.504 3.385 12.152 1.00 0.00 C ATOM 308 O ARG A 304 0.676 2.593 11.687 1.00 0.00 O ATOM 309 CB ARG A 304 0.752 5.627 12.904 1.00 0.00 C ATOM 310 CG ARG A 304 0.508 7.090 12.577 1.00 0.00 C ATOM 311 CD ARG A 304 -0.573 7.672 13.461 1.00 0.00 C ATOM 312 NE ARG A 304 -1.842 6.953 13.303 1.00 0.00 N ATOM 313 CZ ARG A 304 -3.020 7.386 13.742 1.00 0.00 C ATOM 314 NH1 ARG A 304 -3.115 8.559 14.359 1.00 0.00 N ATOM 315 NH2 ARG A 304 -4.108 6.643 13.556 1.00 0.00 N ATOM 0 H ARG A 304 -0.270 5.026 10.635 1.00 0.00 H new ATOM 0 HA ARG A 304 2.470 5.228 11.676 1.00 0.00 H new ATOM 0 HB2 ARG A 304 -0.203 5.148 13.119 1.00 0.00 H new ATOM 0 HB3 ARG A 304 1.352 5.563 13.812 1.00 0.00 H new ATOM 0 HG2 ARG A 304 1.432 7.654 12.707 1.00 0.00 H new ATOM 0 HG3 ARG A 304 0.219 7.189 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 304 -0.256 7.627 14.503 1.00 0.00 H new ATOM 0 HD3 ARG A 304 -0.717 8.724 13.216 1.00 0.00 H new ATOM 0 HE ARG A 304 -1.819 6.055 12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 304 -2.282 9.131 14.498 1.00 0.00 H new ATOM 0 HH12 ARG A 304 -4.021 8.887 14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 304 -4.037 5.745 13.078 1.00 0.00 H new ATOM 0 HH22 ARG A 304 -5.013 6.972 13.891 1.00 0.00 H new ATOM 318 N ALA A 305 2.475 3.020 12.964 1.00 0.00 N ATOM 319 CA ALA A 305 2.598 1.656 13.426 1.00 0.00 C ATOM 320 C ALA A 305 1.366 1.273 14.230 1.00 0.00 C ATOM 321 O ALA A 305 1.037 1.917 15.235 1.00 0.00 O ATOM 322 CB ALA A 305 3.859 1.481 14.257 1.00 0.00 C ATOM 0 H ALA A 305 3.192 3.653 13.318 1.00 0.00 H new ATOM 0 HA ALA A 305 2.674 0.996 12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 305 3.932 0.447 14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 305 4.731 1.727 13.651 1.00 0.00 H new ATOM 0 HB3 ALA A 305 3.820 2.143 15.122 1.00 0.00 H new ATOM 328 N GLY A 306 0.690 0.237 13.786 1.00 0.00 N ATOM 329 CA GLY A 306 -0.518 -0.192 14.437 1.00 0.00 C ATOM 330 C GLY A 306 -1.749 0.047 13.582 1.00 0.00 C ATOM 331 O GLY A 306 -2.810 -0.530 13.835 1.00 0.00 O ATOM 0 H GLY A 306 0.960 -0.321 12.976 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -0.443 -1.253 14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -0.627 0.339 15.383 1.00 0.00 H new ATOM 335 N ASP A 307 -1.621 0.893 12.565 1.00 0.00 N ATOM 336 CA ASP A 307 -2.739 1.166 11.665 1.00 0.00 C ATOM 337 C ASP A 307 -2.796 0.128 10.556 1.00 0.00 C ATOM 338 O ASP A 307 -1.816 -0.589 10.311 1.00 0.00 O ATOM 339 CB ASP A 307 -2.668 2.584 11.072 1.00 0.00 C ATOM 340 CG ASP A 307 -2.984 3.669 12.087 1.00 0.00 C ATOM 341 OD1 ASP A 307 -4.162 3.779 12.514 1.00 0.00 O ATOM 342 OD2 ASP A 307 -2.066 4.415 12.473 1.00 0.00 O ATOM 0 H ASP A 307 -0.763 1.398 12.343 1.00 0.00 H new ATOM 0 HA ASP A 307 -3.654 1.105 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 307 -1.670 2.753 10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 307 -3.367 2.659 10.239 1.00 0.00 H new ATOM 345 N VAL A 308 -3.935 0.042 9.892 1.00 0.00 N ATOM 346 CA VAL A 308 -4.129 -0.950 8.846 1.00 0.00 C ATOM 347 C VAL A 308 -4.306 -0.311 7.470 1.00 0.00 C ATOM 348 O VAL A 308 -4.886 0.771 7.335 1.00 0.00 O ATOM 349 CB VAL A 308 -5.346 -1.861 9.142 1.00 0.00 C ATOM 350 CG1 VAL A 308 -5.095 -2.693 10.386 1.00 0.00 C ATOM 351 CG2 VAL A 308 -6.621 -1.038 9.299 1.00 0.00 C ATOM 0 H VAL A 308 -4.740 0.646 10.057 1.00 0.00 H new ATOM 0 HA VAL A 308 -3.222 -1.555 8.835 1.00 0.00 H new ATOM 0 HB VAL A 308 -5.480 -2.533 8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 308 -5.960 -3.328 10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 308 -4.214 -3.317 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 308 -4.931 -2.033 11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 308 -7.460 -1.703 9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 308 -6.502 -0.336 10.124 1.00 0.00 H new ATOM 0 HG23 VAL A 308 -6.814 -0.487 8.379 1.00 0.00 H new ATOM 361 N ILE A 309 -3.794 -0.989 6.460 1.00 0.00 N ATOM 362 CA ILE A 309 -3.918 -0.547 5.082 1.00 0.00 C ATOM 363 C ILE A 309 -4.698 -1.594 4.298 1.00 0.00 C ATOM 364 O ILE A 309 -4.395 -2.784 4.382 1.00 0.00 O ATOM 365 CB ILE A 309 -2.530 -0.346 4.388 1.00 0.00 C ATOM 366 CG1 ILE A 309 -1.612 0.580 5.199 1.00 0.00 C ATOM 367 CG2 ILE A 309 -2.708 0.201 2.981 1.00 0.00 C ATOM 368 CD1 ILE A 309 -0.839 -0.122 6.299 1.00 0.00 C ATOM 0 H ILE A 309 -3.280 -1.863 6.571 1.00 0.00 H new ATOM 0 HA ILE A 309 -4.431 0.415 5.093 1.00 0.00 H new ATOM 0 HB ILE A 309 -2.053 -1.325 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -0.905 1.058 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -2.214 1.373 5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -1.731 0.334 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -3.299 -0.499 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.222 1.161 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -0.215 0.601 6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -1.538 -0.576 7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -0.208 -0.897 5.863 1.00 0.00 H new ATOM 379 N THR A 310 -5.695 -1.169 3.561 1.00 0.00 N ATOM 380 CA THR A 310 -6.484 -2.087 2.776 1.00 0.00 C ATOM 381 C THR A 310 -5.995 -2.123 1.335 1.00 0.00 C ATOM 382 O THR A 310 -5.963 -1.099 0.648 1.00 0.00 O ATOM 383 CB THR A 310 -7.980 -1.714 2.815 1.00 0.00 C ATOM 384 OG1 THR A 310 -8.438 -1.723 4.175 1.00 0.00 O ATOM 385 CG2 THR A 310 -8.812 -2.699 2.000 1.00 0.00 C ATOM 0 H THR A 310 -5.980 -0.192 3.488 1.00 0.00 H new ATOM 0 HA THR A 310 -6.366 -3.078 3.214 1.00 0.00 H new ATOM 0 HB THR A 310 -8.097 -0.720 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 310 -9.345 -1.355 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 310 -9.863 -2.412 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 310 -8.477 -2.688 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 310 -8.692 -3.702 2.409 1.00 0.00 H new ATOM 392 N VAL A 311 -5.594 -3.294 0.896 1.00 0.00 N ATOM 393 CA VAL A 311 -5.138 -3.480 -0.457 1.00 0.00 C ATOM 394 C VAL A 311 -6.204 -4.201 -1.257 1.00 0.00 C ATOM 395 O VAL A 311 -6.948 -5.020 -0.714 1.00 0.00 O ATOM 396 CB VAL A 311 -3.804 -4.269 -0.521 1.00 0.00 C ATOM 397 CG1 VAL A 311 -2.685 -3.475 0.140 1.00 0.00 C ATOM 398 CG2 VAL A 311 -3.947 -5.638 0.137 1.00 0.00 C ATOM 0 H VAL A 311 -5.576 -4.140 1.466 1.00 0.00 H new ATOM 0 HA VAL A 311 -4.953 -2.494 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 311 -3.551 -4.422 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -1.756 -4.042 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -2.559 -2.524 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 311 -2.938 -3.290 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -2.998 -6.171 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 311 -4.228 -5.512 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -4.717 -6.211 -0.379 1.00 0.00 H new ATOM 408 N LEU A 312 -6.299 -3.885 -2.529 1.00 0.00 N ATOM 409 CA LEU A 312 -7.303 -4.494 -3.382 1.00 0.00 C ATOM 410 C LEU A 312 -7.003 -5.973 -3.596 1.00 0.00 C ATOM 411 O LEU A 312 -7.599 -6.831 -2.954 1.00 0.00 O ATOM 412 CB LEU A 312 -7.399 -3.758 -4.735 1.00 0.00 C ATOM 413 CG LEU A 312 -8.032 -2.348 -4.710 1.00 0.00 C ATOM 414 CD1 LEU A 312 -7.169 -1.358 -3.940 1.00 0.00 C ATOM 415 CD2 LEU A 312 -8.270 -1.849 -6.124 1.00 0.00 C ATOM 0 H LEU A 312 -5.695 -3.210 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 312 -8.267 -4.408 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -6.394 -3.674 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -7.976 -4.379 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 312 -8.989 -2.426 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -7.647 -0.378 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -7.052 -1.700 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -6.189 -1.286 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -8.716 -0.855 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -7.321 -1.802 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -8.944 -2.531 -6.642 1.00 0.00 H new ATOM 427 N GLU A 313 -6.061 -6.262 -4.470 1.00 0.00 N ATOM 428 CA GLU A 313 -5.681 -7.633 -4.750 1.00 0.00 C ATOM 429 C GLU A 313 -4.353 -7.685 -5.484 1.00 0.00 C ATOM 430 O GLU A 313 -4.279 -7.469 -6.696 1.00 0.00 O ATOM 431 CB GLU A 313 -6.796 -8.366 -5.523 1.00 0.00 C ATOM 432 CG GLU A 313 -7.363 -7.581 -6.697 1.00 0.00 C ATOM 433 CD GLU A 313 -8.690 -8.126 -7.170 1.00 0.00 C ATOM 434 OE1 GLU A 313 -8.699 -9.036 -8.023 1.00 0.00 O ATOM 435 OE2 GLU A 313 -9.741 -7.642 -6.690 1.00 0.00 O ATOM 0 H GLU A 313 -5.542 -5.563 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 313 -5.549 -8.155 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 313 -6.404 -9.315 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 313 -7.606 -8.601 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 313 -7.485 -6.537 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 313 -6.651 -7.602 -7.522 1.00 0.00 H new ATOM 438 N GLN A 314 -3.303 -7.941 -4.734 1.00 0.00 N ATOM 439 CA GLN A 314 -1.963 -8.002 -5.268 1.00 0.00 C ATOM 440 C GLN A 314 -1.047 -8.679 -4.256 1.00 0.00 C ATOM 441 O GLN A 314 -1.330 -8.670 -3.060 1.00 0.00 O ATOM 442 CB GLN A 314 -1.458 -6.579 -5.581 1.00 0.00 C ATOM 443 CG GLN A 314 -0.093 -6.531 -6.250 1.00 0.00 C ATOM 444 CD GLN A 314 -0.058 -7.263 -7.581 1.00 0.00 C ATOM 445 OE1 GLN A 314 -1.165 -7.248 -8.304 1.00 0.00 O flip ATOM 446 NE2 GLN A 314 0.969 -7.821 -7.962 1.00 0.00 N flip ATOM 0 H GLN A 314 -3.357 -8.114 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 314 -1.964 -8.581 -6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 314 -2.183 -6.083 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 314 -1.415 -6.009 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 314 0.193 -5.491 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 314 0.649 -6.968 -5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 314 1.803 -7.810 -7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 314 0.987 -8.295 -8.865 1.00 0.00 H new ATOM 455 N HIS A 315 0.021 -9.290 -4.733 1.00 0.00 N ATOM 456 CA HIS A 315 0.982 -9.928 -3.849 1.00 0.00 C ATOM 457 C HIS A 315 2.079 -8.936 -3.458 1.00 0.00 C ATOM 458 O HIS A 315 2.478 -8.100 -4.270 1.00 0.00 O ATOM 459 CB HIS A 315 1.595 -11.178 -4.503 1.00 0.00 C ATOM 460 CG HIS A 315 0.740 -12.410 -4.399 1.00 0.00 C ATOM 461 ND1 HIS A 315 1.260 -13.684 -4.307 1.00 0.00 N ATOM 462 CD2 HIS A 315 -0.606 -12.559 -4.393 1.00 0.00 C ATOM 463 CE1 HIS A 315 0.273 -14.559 -4.254 1.00 0.00 C ATOM 464 NE2 HIS A 315 -0.871 -13.903 -4.304 1.00 0.00 N ATOM 0 H HIS A 315 0.246 -9.359 -5.725 1.00 0.00 H new ATOM 0 HA HIS A 315 0.456 -10.246 -2.949 1.00 0.00 H new ATOM 0 HB2 HIS A 315 1.783 -10.968 -5.556 1.00 0.00 H new ATOM 0 HB3 HIS A 315 2.561 -11.380 -4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 315 -1.337 -11.766 -4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 315 0.383 -15.631 -4.182 1.00 0.00 H new ATOM 0 HE2 HIS A 315 -1.799 -14.325 -4.280 1.00 0.00 H new ATOM 469 N PRO A 316 2.581 -9.012 -2.207 1.00 0.00 N ATOM 470 CA PRO A 316 3.622 -8.100 -1.699 1.00 0.00 C ATOM 471 C PRO A 316 5.016 -8.423 -2.258 1.00 0.00 C ATOM 472 O PRO A 316 5.990 -8.508 -1.512 1.00 0.00 O ATOM 473 CB PRO A 316 3.599 -8.346 -0.172 1.00 0.00 C ATOM 474 CG PRO A 316 2.421 -9.230 0.084 1.00 0.00 C ATOM 475 CD PRO A 316 2.180 -9.980 -1.184 1.00 0.00 C ATOM 0 HA PRO A 316 3.427 -7.068 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 316 4.522 -8.820 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 316 3.508 -7.407 0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 316 2.620 -9.914 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 316 1.546 -8.642 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.774 -10.893 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 316 1.135 -10.273 -1.290 1.00 0.00 H new ATOM 483 N ASP A 317 5.107 -8.575 -3.563 1.00 0.00 N ATOM 484 CA ASP A 317 6.374 -8.901 -4.216 1.00 0.00 C ATOM 485 C ASP A 317 6.985 -7.661 -4.857 1.00 0.00 C ATOM 486 O ASP A 317 7.457 -7.699 -5.998 1.00 0.00 O ATOM 487 CB ASP A 317 6.173 -10.002 -5.266 1.00 0.00 C ATOM 488 CG ASP A 317 5.728 -11.313 -4.657 1.00 0.00 C ATOM 489 OD1 ASP A 317 6.488 -11.888 -3.849 1.00 0.00 O ATOM 490 OD2 ASP A 317 4.609 -11.772 -4.967 1.00 0.00 O ATOM 0 H ASP A 317 4.318 -8.479 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 317 7.063 -9.270 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 317 5.431 -9.674 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 317 7.106 -10.156 -5.809 1.00 0.00 H new ATOM 493 N GLY A 318 6.976 -6.571 -4.115 1.00 0.00 N ATOM 494 CA GLY A 318 7.508 -5.315 -4.598 1.00 0.00 C ATOM 495 C GLY A 318 6.770 -4.154 -3.980 1.00 0.00 C ATOM 496 O GLY A 318 5.755 -4.365 -3.309 1.00 0.00 O ATOM 0 H GLY A 318 6.602 -6.532 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 318 8.569 -5.247 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 318 7.422 -5.271 -5.684 1.00 0.00 H new ATOM 500 N ARG A 319 7.273 -2.933 -4.166 1.00 0.00 N ATOM 501 CA ARG A 319 6.591 -1.763 -3.626 1.00 0.00 C ATOM 502 C ARG A 319 5.219 -1.630 -4.269 1.00 0.00 C ATOM 503 O ARG A 319 5.075 -1.775 -5.488 1.00 0.00 O ATOM 504 CB ARG A 319 7.414 -0.458 -3.797 1.00 0.00 C ATOM 505 CG ARG A 319 7.480 0.103 -5.219 1.00 0.00 C ATOM 506 CD ARG A 319 8.446 -0.666 -6.104 1.00 0.00 C ATOM 507 NE ARG A 319 8.406 -0.187 -7.487 1.00 0.00 N ATOM 508 CZ ARG A 319 9.254 -0.558 -8.448 1.00 0.00 C ATOM 509 NH1 ARG A 319 10.260 -1.383 -8.173 1.00 0.00 N ATOM 510 NH2 ARG A 319 9.101 -0.089 -9.683 1.00 0.00 N ATOM 0 H ARG A 319 8.133 -2.733 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 319 6.477 -1.912 -2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 319 6.990 0.305 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 319 8.431 -0.644 -3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 319 6.485 0.076 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 319 7.783 1.149 -5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 319 9.458 -0.565 -5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 319 8.198 -1.727 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 319 7.675 0.480 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 319 10.386 -1.735 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 319 10.906 -1.664 -8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 319 8.337 0.553 -9.894 1.00 0.00 H new ATOM 0 HH22 ARG A 319 9.748 -0.371 -10.419 1.00 0.00 H new ATOM 513 N TRP A 320 4.222 -1.371 -3.462 1.00 0.00 N ATOM 514 CA TRP A 320 2.858 -1.298 -3.947 1.00 0.00 C ATOM 515 C TRP A 320 2.108 -0.160 -3.291 1.00 0.00 C ATOM 516 O TRP A 320 2.667 0.567 -2.477 1.00 0.00 O ATOM 517 CB TRP A 320 2.124 -2.647 -3.739 1.00 0.00 C ATOM 518 CG TRP A 320 2.103 -3.169 -2.310 1.00 0.00 C ATOM 519 CD1 TRP A 320 2.839 -2.726 -1.246 1.00 0.00 C ATOM 520 CD2 TRP A 320 1.305 -4.251 -1.812 1.00 0.00 C ATOM 521 NE1 TRP A 320 2.546 -3.460 -0.128 1.00 0.00 N ATOM 522 CE2 TRP A 320 1.607 -4.401 -0.446 1.00 0.00 C ATOM 523 CE3 TRP A 320 0.362 -5.106 -2.390 1.00 0.00 C ATOM 524 CZ2 TRP A 320 1.002 -5.368 0.351 1.00 0.00 C ATOM 525 CZ3 TRP A 320 -0.237 -6.065 -1.598 1.00 0.00 C ATOM 526 CH2 TRP A 320 0.084 -6.189 -0.241 1.00 0.00 C ATOM 0 H TRP A 320 4.325 -1.206 -2.461 1.00 0.00 H new ATOM 0 HA TRP A 320 2.892 -1.098 -5.018 1.00 0.00 H new ATOM 0 HB2 TRP A 320 1.095 -2.537 -4.082 1.00 0.00 H new ATOM 0 HB3 TRP A 320 2.594 -3.398 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 320 3.550 -1.914 -1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 320 2.962 -3.326 0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 320 0.107 -5.018 -3.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 320 1.249 -5.466 1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 320 -0.967 -6.732 -2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 320 -0.404 -6.950 0.350 1.00 0.00 H new ATOM 532 N LYS A 321 0.853 0.000 -3.649 1.00 0.00 N ATOM 533 CA LYS A 321 0.046 1.062 -3.095 1.00 0.00 C ATOM 534 C LYS A 321 -1.201 0.504 -2.434 1.00 0.00 C ATOM 535 O LYS A 321 -1.769 -0.491 -2.893 1.00 0.00 O ATOM 536 CB LYS A 321 -0.319 2.086 -4.178 1.00 0.00 C ATOM 537 CG LYS A 321 -1.094 1.509 -5.348 1.00 0.00 C ATOM 538 CD LYS A 321 -1.347 2.566 -6.411 1.00 0.00 C ATOM 539 CE LYS A 321 -2.170 2.012 -7.561 1.00 0.00 C ATOM 540 NZ LYS A 321 -1.462 0.926 -8.288 1.00 0.00 N ATOM 0 H LYS A 321 0.369 -0.594 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 321 0.632 1.572 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -0.909 2.882 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 321 0.597 2.542 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -0.538 0.678 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -2.044 1.108 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -1.867 3.414 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -0.395 2.938 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -3.117 1.632 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -2.407 2.817 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -1.981 0.696 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -0.501 1.240 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -1.408 0.081 -7.684 1.00 0.00 H new ATOM 543 N GLY A 322 -1.616 1.139 -1.359 1.00 0.00 N ATOM 544 CA GLY A 322 -2.772 0.684 -0.633 1.00 0.00 C ATOM 545 C GLY A 322 -3.715 1.808 -0.295 1.00 0.00 C ATOM 546 O GLY A 322 -3.356 2.990 -0.396 1.00 0.00 O ATOM 0 H GLY A 322 -1.168 1.970 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -3.299 -0.063 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -2.451 0.194 0.286 1.00 0.00 H new ATOM 550 N HIS A 323 -4.915 1.448 0.112 1.00 0.00 N ATOM 551 CA HIS A 323 -5.942 2.408 0.454 1.00 0.00 C ATOM 552 C HIS A 323 -6.188 2.394 1.964 1.00 0.00 C ATOM 553 O HIS A 323 -6.523 1.358 2.539 1.00 0.00 O ATOM 554 CB HIS A 323 -7.225 2.065 -0.312 1.00 0.00 C ATOM 555 CG HIS A 323 -8.360 3.011 -0.091 1.00 0.00 C ATOM 556 ND1 HIS A 323 -9.591 2.609 0.371 1.00 0.00 N ATOM 557 CD2 HIS A 323 -8.459 4.343 -0.296 1.00 0.00 C ATOM 558 CE1 HIS A 323 -10.393 3.644 0.440 1.00 0.00 C ATOM 559 NE2 HIS A 323 -9.733 4.708 0.043 1.00 0.00 N ATOM 0 H HIS A 323 -5.206 0.476 0.215 1.00 0.00 H new ATOM 0 HA HIS A 323 -5.620 3.411 0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 323 -6.998 2.035 -1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 323 -7.545 1.063 -0.026 1.00 0.00 H new ATOM 0 HD2 HIS A 323 -7.679 4.996 -0.659 1.00 0.00 H new ATOM 0 HE1 HIS A 323 -11.422 3.625 0.768 1.00 0.00 H new ATOM 0 HE2 HIS A 323 -10.110 5.655 -0.005 1.00 0.00 H new ATOM 564 N ILE A 324 -6.027 3.536 2.595 1.00 0.00 N ATOM 565 CA ILE A 324 -6.194 3.639 4.029 1.00 0.00 C ATOM 566 C ILE A 324 -7.521 4.279 4.407 1.00 0.00 C ATOM 567 O ILE A 324 -7.965 5.250 3.789 1.00 0.00 O ATOM 568 CB ILE A 324 -5.022 4.422 4.693 1.00 0.00 C ATOM 569 CG1 ILE A 324 -3.732 3.607 4.611 1.00 0.00 C ATOM 570 CG2 ILE A 324 -5.339 4.775 6.150 1.00 0.00 C ATOM 571 CD1 ILE A 324 -2.551 4.267 5.284 1.00 0.00 C ATOM 0 H ILE A 324 -5.779 4.412 2.135 1.00 0.00 H new ATOM 0 HA ILE A 324 -6.188 2.617 4.408 1.00 0.00 H new ATOM 0 HB ILE A 324 -4.889 5.356 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 324 -3.900 2.631 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 324 -3.490 3.432 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 324 -4.501 5.321 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 324 -6.234 5.396 6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 324 -5.508 3.860 6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 324 -1.672 3.630 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 324 -2.356 5.230 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 324 -2.772 4.418 6.341 1.00 0.00 H new ATOM 582 N HIS A 325 -8.146 3.695 5.409 1.00 0.00 N ATOM 583 CA HIS A 325 -9.371 4.191 5.995 1.00 0.00 C ATOM 584 C HIS A 325 -9.349 3.860 7.480 1.00 0.00 C ATOM 585 O HIS A 325 -9.533 2.704 7.877 1.00 0.00 O ATOM 586 CB HIS A 325 -10.626 3.603 5.295 1.00 0.00 C ATOM 587 CG HIS A 325 -10.671 2.101 5.227 1.00 0.00 C ATOM 588 ND1 HIS A 325 -11.492 1.329 6.018 1.00 0.00 N ATOM 589 CD2 HIS A 325 -9.992 1.234 4.444 1.00 0.00 C ATOM 590 CE1 HIS A 325 -11.313 0.058 5.725 1.00 0.00 C ATOM 591 NE2 HIS A 325 -10.407 -0.026 4.773 1.00 0.00 N ATOM 0 H HIS A 325 -7.806 2.840 5.849 1.00 0.00 H new ATOM 0 HA HIS A 325 -9.433 5.271 5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -11.514 3.955 5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -10.677 3.999 4.281 1.00 0.00 H new ATOM 0 HD1 HIS A 325 -12.138 1.686 6.722 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -9.256 1.490 3.696 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -11.823 -0.775 6.187 1.00 0.00 H new ATOM 678 N ARG A 333 -7.396 7.777 1.702 1.00 0.00 N ATOM 679 CA ARG A 333 -6.097 8.062 1.107 1.00 0.00 C ATOM 680 C ARG A 333 -5.497 6.810 0.479 1.00 0.00 C ATOM 681 O ARG A 333 -5.614 5.713 1.026 1.00 0.00 O ATOM 682 CB ARG A 333 -5.120 8.633 2.145 1.00 0.00 C ATOM 683 CG ARG A 333 -3.763 9.000 1.554 1.00 0.00 C ATOM 684 CD ARG A 333 -2.785 9.473 2.612 1.00 0.00 C ATOM 685 NE ARG A 333 -3.266 10.658 3.320 1.00 0.00 N ATOM 686 CZ ARG A 333 -2.882 11.907 3.048 1.00 0.00 C ATOM 687 NH1 ARG A 333 -2.012 12.148 2.068 1.00 0.00 N ATOM 688 NH2 ARG A 333 -3.361 12.914 3.763 1.00 0.00 N ATOM 0 HA ARG A 333 -6.257 8.809 0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 333 -5.562 9.519 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 333 -4.977 7.902 2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 333 -3.347 8.134 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 333 -3.894 9.783 0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 333 -2.611 8.670 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 333 -1.826 9.696 2.144 1.00 0.00 H new ATOM 0 HE ARG A 333 -3.941 10.521 4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 333 -1.635 11.375 1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 333 -1.723 13.105 1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 333 -4.021 12.734 4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 333 -3.069 13.870 3.557 1.00 0.00 H new ATOM 691 N ILE A 334 -4.881 6.981 -0.675 1.00 0.00 N ATOM 692 CA ILE A 334 -4.188 5.903 -1.349 1.00 0.00 C ATOM 693 C ILE A 334 -2.746 6.327 -1.618 1.00 0.00 C ATOM 694 O ILE A 334 -2.498 7.434 -2.109 1.00 0.00 O ATOM 695 CB ILE A 334 -4.891 5.492 -2.680 1.00 0.00 C ATOM 696 CG1 ILE A 334 -4.135 4.336 -3.354 1.00 0.00 C ATOM 697 CG2 ILE A 334 -5.017 6.683 -3.630 1.00 0.00 C ATOM 698 CD1 ILE A 334 -4.808 3.806 -4.604 1.00 0.00 C ATOM 0 H ILE A 334 -4.848 7.872 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 334 -4.206 5.028 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 334 -5.898 5.152 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 334 -3.130 4.672 -3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 334 -4.026 3.521 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 334 -5.511 6.365 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 334 -5.606 7.467 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 334 -4.024 7.067 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 334 -4.214 2.993 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 334 -5.802 3.437 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 334 -4.893 4.607 -5.339 1.00 0.00 H new ATOM 709 N GLY A 335 -1.803 5.479 -1.270 1.00 0.00 N ATOM 710 CA GLY A 335 -0.415 5.829 -1.462 1.00 0.00 C ATOM 711 C GLY A 335 0.477 4.620 -1.560 1.00 0.00 C ATOM 712 O GLY A 335 0.049 3.506 -1.258 1.00 0.00 O ATOM 0 H GLY A 335 -1.968 4.559 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -0.316 6.424 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -0.084 6.455 -0.633 1.00 0.00 H new ATOM 716 N TYR A 336 1.715 4.841 -1.966 1.00 0.00 N ATOM 717 CA TYR A 336 2.676 3.763 -2.143 1.00 0.00 C ATOM 718 C TYR A 336 3.438 3.484 -0.853 1.00 0.00 C ATOM 719 O TYR A 336 3.699 4.397 -0.067 1.00 0.00 O ATOM 720 CB TYR A 336 3.657 4.093 -3.283 1.00 0.00 C ATOM 721 CG TYR A 336 4.412 5.401 -3.103 1.00 0.00 C ATOM 722 CD1 TYR A 336 3.869 6.604 -3.536 1.00 0.00 C ATOM 723 CD2 TYR A 336 5.668 5.427 -2.504 1.00 0.00 C ATOM 724 CE1 TYR A 336 4.551 7.793 -3.378 1.00 0.00 C ATOM 725 CE2 TYR A 336 6.356 6.614 -2.343 1.00 0.00 C ATOM 726 CZ TYR A 336 5.793 7.793 -2.780 1.00 0.00 C ATOM 727 OH TYR A 336 6.475 8.979 -2.623 1.00 0.00 O ATOM 0 H TYR A 336 2.083 5.768 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 336 2.121 2.863 -2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 336 4.378 3.281 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 336 3.104 4.133 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 336 2.896 6.609 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 336 6.112 4.505 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 336 4.114 8.719 -3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 336 7.330 6.618 -1.877 1.00 0.00 H new ATOM 0 HH TYR A 336 5.834 9.714 -2.522 1.00 0.00 H new ATOM 733 N PHE A 337 3.784 2.224 -0.644 1.00 0.00 N ATOM 734 CA PHE A 337 4.518 1.809 0.536 1.00 0.00 C ATOM 735 C PHE A 337 5.207 0.459 0.293 1.00 0.00 C ATOM 736 O PHE A 337 4.758 -0.339 -0.546 1.00 0.00 O ATOM 737 CB PHE A 337 3.577 1.722 1.757 1.00 0.00 C ATOM 738 CG PHE A 337 2.537 0.629 1.676 1.00 0.00 C ATOM 739 CD1 PHE A 337 1.470 0.725 0.798 1.00 0.00 C ATOM 740 CD2 PHE A 337 2.628 -0.487 2.489 1.00 0.00 C ATOM 741 CE1 PHE A 337 0.516 -0.270 0.734 1.00 0.00 C ATOM 742 CE2 PHE A 337 1.677 -1.484 2.427 1.00 0.00 C ATOM 743 CZ PHE A 337 0.620 -1.375 1.549 1.00 0.00 C ATOM 0 H PHE A 337 3.564 1.463 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 337 5.284 2.556 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 337 4.179 1.566 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 337 3.070 2.679 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 337 1.384 1.589 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 337 3.453 -0.578 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -0.311 -0.182 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 337 1.761 -2.350 3.067 1.00 0.00 H new ATOM 0 HZ PHE A 337 -0.125 -2.155 1.500 1.00 0.00 H new ATOM 749 N PRO A 338 6.323 0.200 0.992 1.00 0.00 N ATOM 750 CA PRO A 338 7.035 -1.067 0.890 1.00 0.00 C ATOM 751 C PRO A 338 6.361 -2.166 1.723 1.00 0.00 C ATOM 752 O PRO A 338 6.018 -1.958 2.892 1.00 0.00 O ATOM 753 CB PRO A 338 8.415 -0.737 1.452 1.00 0.00 C ATOM 754 CG PRO A 338 8.170 0.356 2.435 1.00 0.00 C ATOM 755 CD PRO A 338 6.993 1.139 1.916 1.00 0.00 C ATOM 0 HA PRO A 338 7.060 -1.451 -0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 338 8.866 -1.606 1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 338 9.097 -0.416 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 338 7.960 -0.051 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 338 9.048 0.994 2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 338 6.329 1.446 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 338 7.311 2.046 1.403 1.00 0.00 H new ATOM 763 N PRO A 339 6.182 -3.360 1.139 1.00 0.00 N ATOM 764 CA PRO A 339 5.518 -4.488 1.815 1.00 0.00 C ATOM 765 C PRO A 339 6.288 -4.977 3.045 1.00 0.00 C ATOM 766 O PRO A 339 5.752 -5.706 3.875 1.00 0.00 O ATOM 767 CB PRO A 339 5.488 -5.580 0.741 1.00 0.00 C ATOM 768 CG PRO A 339 6.576 -5.213 -0.204 1.00 0.00 C ATOM 769 CD PRO A 339 6.612 -3.715 -0.222 1.00 0.00 C ATOM 0 HA PRO A 339 4.534 -4.207 2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 339 5.656 -6.566 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 339 4.522 -5.614 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 339 7.532 -5.623 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 339 6.380 -5.612 -1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 339 7.611 -3.337 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 339 5.942 -3.304 -0.977 1.00 0.00 H new ATOM 777 N GLY A 340 7.536 -4.561 3.152 1.00 0.00 N ATOM 778 CA GLY A 340 8.371 -4.967 4.261 1.00 0.00 C ATOM 779 C GLY A 340 7.993 -4.314 5.575 1.00 0.00 C ATOM 780 O GLY A 340 8.368 -4.804 6.639 1.00 0.00 O ATOM 0 H GLY A 340 7.992 -3.941 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 340 8.312 -6.050 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 340 9.409 -4.727 4.031 1.00 0.00 H new ATOM 784 N ILE A 341 7.252 -3.209 5.521 1.00 0.00 N ATOM 785 CA ILE A 341 6.883 -2.507 6.751 1.00 0.00 C ATOM 786 C ILE A 341 5.525 -2.963 7.268 1.00 0.00 C ATOM 787 O ILE A 341 5.084 -2.543 8.343 1.00 0.00 O ATOM 788 CB ILE A 341 6.869 -0.968 6.574 1.00 0.00 C ATOM 789 CG1 ILE A 341 5.806 -0.540 5.557 1.00 0.00 C ATOM 790 CG2 ILE A 341 8.247 -0.468 6.162 1.00 0.00 C ATOM 791 CD1 ILE A 341 5.628 0.961 5.456 1.00 0.00 C ATOM 0 H ILE A 341 6.902 -2.787 4.661 1.00 0.00 H new ATOM 0 HA ILE A 341 7.652 -2.761 7.480 1.00 0.00 H new ATOM 0 HB ILE A 341 6.612 -0.517 7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 341 6.076 -0.932 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 341 4.852 -0.992 5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 341 8.220 0.615 6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 341 8.974 -0.730 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 341 8.535 -0.931 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 341 4.860 1.187 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 341 5.327 1.358 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 341 6.569 1.419 5.153 1.00 0.00 H new ATOM 802 N VAL A 342 4.872 -3.834 6.516 1.00 0.00 N ATOM 803 CA VAL A 342 3.565 -4.330 6.899 1.00 0.00 C ATOM 804 C VAL A 342 3.575 -5.844 7.048 1.00 0.00 C ATOM 805 O VAL A 342 4.496 -6.523 6.582 1.00 0.00 O ATOM 806 CB VAL A 342 2.462 -3.928 5.887 1.00 0.00 C ATOM 807 CG1 VAL A 342 2.319 -2.418 5.814 1.00 0.00 C ATOM 808 CG2 VAL A 342 2.746 -4.510 4.508 1.00 0.00 C ATOM 0 H VAL A 342 5.228 -4.211 5.637 1.00 0.00 H new ATOM 0 HA VAL A 342 3.334 -3.869 7.859 1.00 0.00 H new ATOM 0 HB VAL A 342 1.518 -4.343 6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 342 1.539 -2.161 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 342 2.051 -2.030 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.264 -1.978 5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 342 1.957 -4.212 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 342 3.704 -4.137 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 342 2.781 -5.598 4.572 1.00 0.00 H new ATOM 818 N GLU A 343 2.563 -6.359 7.707 1.00 0.00 N ATOM 819 CA GLU A 343 2.414 -7.783 7.904 1.00 0.00 C ATOM 820 C GLU A 343 0.933 -8.150 7.909 1.00 0.00 C ATOM 821 O GLU A 343 0.093 -7.362 8.353 1.00 0.00 O ATOM 822 CB GLU A 343 3.084 -8.210 9.220 1.00 0.00 C ATOM 823 CG GLU A 343 3.054 -9.708 9.484 1.00 0.00 C ATOM 824 CD GLU A 343 3.612 -10.509 8.331 1.00 0.00 C ATOM 825 OE1 GLU A 343 4.848 -10.674 8.258 1.00 0.00 O ATOM 826 OE2 GLU A 343 2.820 -10.967 7.487 1.00 0.00 O ATOM 0 H GLU A 343 1.817 -5.801 8.123 1.00 0.00 H new ATOM 0 HA GLU A 343 2.903 -8.312 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 343 4.121 -7.876 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 343 2.592 -7.698 10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 343 3.627 -9.927 10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 343 2.027 -10.020 9.676 1.00 0.00 H new ATOM 829 N VAL A 344 0.618 -9.327 7.402 1.00 0.00 N ATOM 830 CA VAL A 344 -0.756 -9.795 7.351 1.00 0.00 C ATOM 831 C VAL A 344 -1.111 -10.481 8.664 1.00 0.00 C ATOM 832 O VAL A 344 -2.236 -10.374 9.155 1.00 0.00 O ATOM 833 CB VAL A 344 -0.969 -10.784 6.176 1.00 0.00 C ATOM 834 CG1 VAL A 344 -2.429 -11.202 6.076 1.00 0.00 C ATOM 835 CG2 VAL A 344 -0.494 -10.173 4.867 1.00 0.00 C ATOM 0 H VAL A 344 1.299 -9.981 7.017 1.00 0.00 H new ATOM 0 HA VAL A 344 -1.404 -8.933 7.194 1.00 0.00 H new ATOM 0 HB VAL A 344 -0.375 -11.676 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 344 -2.553 -11.896 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 344 -2.732 -11.689 7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 344 -3.049 -10.321 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 344 -0.652 -10.883 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 344 -1.056 -9.261 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 344 0.567 -9.936 4.940 1.00 0.00 H new ATOM 845 N VAL A 345 -0.130 -11.163 9.236 1.00 0.00 N ATOM 846 CA VAL A 345 -0.311 -11.872 10.496 1.00 0.00 C ATOM 847 C VAL A 345 -0.404 -10.869 11.656 1.00 0.00 C ATOM 848 O VAL A 345 0.036 -9.723 11.534 1.00 0.00 O ATOM 849 CB VAL A 345 0.859 -12.859 10.749 1.00 0.00 C ATOM 850 CG1 VAL A 345 0.564 -13.765 11.932 1.00 0.00 C ATOM 851 CG2 VAL A 345 1.148 -13.685 9.504 1.00 0.00 C ATOM 0 H VAL A 345 0.808 -11.241 8.844 1.00 0.00 H new ATOM 0 HA VAL A 345 -1.238 -12.442 10.436 1.00 0.00 H new ATOM 0 HB VAL A 345 1.746 -12.271 10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 345 1.401 -14.446 12.086 1.00 0.00 H new ATOM 0 HG12 VAL A 345 0.419 -13.160 12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -0.340 -14.340 11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 345 1.972 -14.370 9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 345 0.260 -14.256 9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 345 1.419 -13.022 8.682 1.00 0.00 H new ATOM 861 N SER A 346 -0.990 -11.291 12.766 1.00 0.00 N ATOM 862 CA SER A 346 -1.146 -10.423 13.917 1.00 0.00 C ATOM 863 C SER A 346 0.188 -10.192 14.628 1.00 0.00 C ATOM 864 O SER A 346 0.682 -11.069 15.335 1.00 0.00 O ATOM 865 CB SER A 346 -2.168 -11.006 14.893 1.00 0.00 C ATOM 866 OG SER A 346 -3.410 -11.237 14.246 1.00 0.00 O ATOM 0 H SER A 346 -1.365 -12.231 12.892 1.00 0.00 H new ATOM 0 HA SER A 346 -1.508 -9.460 13.557 1.00 0.00 H new ATOM 0 HB2 SER A 346 -1.790 -11.941 15.307 1.00 0.00 H new ATOM 0 HB3 SER A 346 -2.310 -10.321 15.729 1.00 0.00 H new ATOM 0 HG SER A 346 -4.049 -11.612 14.888 1.00 0.00 H new ATOM 872 N LYS A 347 0.766 -9.006 14.390 1.00 0.00 N ATOM 873 CA LYS A 347 2.016 -8.538 15.035 1.00 0.00 C ATOM 874 C LYS A 347 3.132 -9.600 15.072 1.00 0.00 C ATOM 875 O LYS A 347 3.895 -9.680 16.043 1.00 0.00 O ATOM 876 CB LYS A 347 1.732 -7.975 16.450 1.00 0.00 C ATOM 877 CG LYS A 347 1.194 -8.992 17.456 1.00 0.00 C ATOM 878 CD LYS A 347 0.795 -8.330 18.763 1.00 0.00 C ATOM 879 CE LYS A 347 1.965 -7.603 19.408 1.00 0.00 C ATOM 880 NZ LYS A 347 1.561 -6.902 20.647 1.00 0.00 N ATOM 0 H LYS A 347 0.377 -8.329 13.734 1.00 0.00 H new ATOM 0 HA LYS A 347 2.395 -7.733 14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 347 2.653 -7.548 16.846 1.00 0.00 H new ATOM 0 HB3 LYS A 347 1.014 -7.159 16.362 1.00 0.00 H new ATOM 0 HG2 LYS A 347 0.332 -9.505 17.030 1.00 0.00 H new ATOM 0 HG3 LYS A 347 1.953 -9.750 17.649 1.00 0.00 H new ATOM 0 HD2 LYS A 347 -0.015 -7.624 18.580 1.00 0.00 H new ATOM 0 HD3 LYS A 347 0.412 -9.084 19.450 1.00 0.00 H new ATOM 0 HE2 LYS A 347 2.756 -8.318 19.636 1.00 0.00 H new ATOM 0 HE3 LYS A 347 2.380 -6.883 18.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 2.386 -6.419 21.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 0.824 -6.202 20.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 1.189 -7.592 21.331 1.00 0.00 H new ATOM 883 N ARG A 348 3.245 -10.378 14.012 1.00 0.00 N ATOM 884 CA ARG A 348 4.286 -11.386 13.924 1.00 0.00 C ATOM 885 C ARG A 348 5.498 -10.817 13.206 1.00 0.00 C ATOM 886 O ARG A 348 5.364 -10.439 12.028 1.00 0.00 O ATOM 887 CB ARG A 348 3.786 -12.635 13.197 1.00 0.00 C ATOM 888 CG ARG A 348 4.832 -13.740 13.099 1.00 0.00 C ATOM 889 CD ARG A 348 4.304 -14.949 12.345 1.00 0.00 C ATOM 890 NE ARG A 348 3.167 -15.569 13.021 1.00 0.00 N ATOM 891 CZ ARG A 348 2.562 -16.683 12.604 1.00 0.00 C ATOM 892 NH1 ARG A 348 2.982 -17.303 11.505 1.00 0.00 N ATOM 893 NH2 ARG A 348 1.532 -17.168 13.284 1.00 0.00 N ATOM 894 OXT ARG A 348 6.582 -10.748 13.818 1.00 0.00 O ATOM 0 H ARG A 348 2.629 -10.332 13.200 1.00 0.00 H new ATOM 0 HA ARG A 348 4.567 -11.674 14.937 1.00 0.00 H new ATOM 0 HB2 ARG A 348 2.908 -13.021 13.716 1.00 0.00 H new ATOM 0 HB3 ARG A 348 3.466 -12.358 12.192 1.00 0.00 H new ATOM 0 HG2 ARG A 348 5.720 -13.357 12.596 1.00 0.00 H new ATOM 0 HG3 ARG A 348 5.138 -14.041 14.101 1.00 0.00 H new ATOM 0 HD2 ARG A 348 4.007 -14.647 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 348 5.102 -15.683 12.234 1.00 0.00 H new ATOM 0 HE ARG A 348 2.813 -15.122 13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 348 3.770 -16.927 10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 348 2.516 -18.154 11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 348 1.204 -16.690 14.123 1.00 0.00 H new ATOM 0 HH22 ARG A 348 1.067 -18.019 12.968 1.00 0.00 H new