USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=7 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 Single : A 283 SER OG : rot -41:sc= 0.146 USER MOD Single : A 285 LYS NZ :NH3+ -168:sc=-0.00168 (180deg=-0.119) USER MOD Single : A 290 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 ASN : amide:sc= 1.21 K(o=1.2,f=-5.7!) USER MOD Single : A 296 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 299 THR OG1 : rot -30:sc= 0.655 USER MOD Single : A 302 ASN : amide:sc= 0.829 K(o=0.83,f=-7.9!) USER MOD Single : A 310 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 314 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 315 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 HIS : no HD1:sc= -0.393 K(o=-0.39,f=-1.1) USER MOD Single : A 325 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 336 TYR OH : rot 180:sc= 0 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 -9.287 -7.481 -2.458 1.00 0.00 N ATOM 8 CA SER A 283 -9.095 -6.660 -1.281 1.00 0.00 C ATOM 9 C SER A 283 -8.474 -7.464 -0.147 1.00 0.00 C ATOM 10 O SER A 283 -8.882 -8.595 0.124 1.00 0.00 O ATOM 11 CB SER A 283 -10.429 -6.052 -0.842 1.00 0.00 C ATOM 12 OG SER A 283 -11.429 -7.055 -0.703 1.00 0.00 O ATOM 0 HA SER A 283 -8.406 -5.854 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 283 -10.300 -5.530 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 283 -10.752 -5.311 -1.573 1.00 0.00 H new ATOM 0 HG SER A 283 -11.355 -7.695 -1.441 1.00 0.00 H new ATOM 18 N LEU A 284 -7.493 -6.885 0.504 1.00 0.00 N ATOM 19 CA LEU A 284 -6.814 -7.538 1.608 1.00 0.00 C ATOM 20 C LEU A 284 -6.441 -6.495 2.656 1.00 0.00 C ATOM 21 O LEU A 284 -6.353 -5.303 2.347 1.00 0.00 O ATOM 22 CB LEU A 284 -5.553 -8.261 1.098 1.00 0.00 C ATOM 23 CG LEU A 284 -4.858 -9.197 2.092 1.00 0.00 C ATOM 24 CD1 LEU A 284 -5.716 -10.422 2.365 1.00 0.00 C ATOM 25 CD2 LEU A 284 -3.489 -9.604 1.570 1.00 0.00 C ATOM 0 H LEU A 284 -7.141 -5.952 0.288 1.00 0.00 H new ATOM 0 HA LEU A 284 -7.476 -8.277 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 284 -5.824 -8.840 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 284 -4.833 -7.508 0.777 1.00 0.00 H new ATOM 0 HG LEU A 284 -4.722 -8.662 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 284 -5.205 -11.074 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 284 -6.673 -10.110 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 284 -5.887 -10.961 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 284 -3.009 -10.269 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 284 -3.602 -10.120 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 284 -2.874 -8.715 1.431 1.00 0.00 H new ATOM 37 N LYS A 285 -6.246 -6.927 3.881 1.00 0.00 N ATOM 38 CA LYS A 285 -5.876 -6.020 4.947 1.00 0.00 C ATOM 39 C LYS A 285 -4.485 -6.348 5.460 1.00 0.00 C ATOM 40 O LYS A 285 -4.160 -7.513 5.703 1.00 0.00 O ATOM 41 CB LYS A 285 -6.885 -6.104 6.103 1.00 0.00 C ATOM 42 CG LYS A 285 -8.315 -5.749 5.720 1.00 0.00 C ATOM 43 CD LYS A 285 -8.447 -4.283 5.336 1.00 0.00 C ATOM 44 CE LYS A 285 -8.188 -3.356 6.523 1.00 0.00 C ATOM 45 NZ LYS A 285 -9.226 -3.493 7.574 1.00 0.00 N ATOM 0 H LYS A 285 -6.337 -7.902 4.166 1.00 0.00 H new ATOM 0 HA LYS A 285 -5.880 -5.006 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 285 -6.871 -7.116 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 285 -6.560 -5.437 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 285 -8.634 -6.374 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 285 -8.980 -5.968 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 285 -7.744 -4.053 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 285 -9.447 -4.099 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 285 -7.210 -3.578 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 285 -8.158 -2.323 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 285 -9.132 -2.716 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 285 -10.169 -3.458 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 285 -9.106 -4.402 8.064 1.00 0.00 H new ATOM 48 N VAL A 286 -3.668 -5.328 5.617 1.00 0.00 N ATOM 49 CA VAL A 286 -2.326 -5.498 6.146 1.00 0.00 C ATOM 50 C VAL A 286 -2.090 -4.508 7.267 1.00 0.00 C ATOM 51 O VAL A 286 -2.704 -3.440 7.297 1.00 0.00 O ATOM 52 CB VAL A 286 -1.229 -5.325 5.055 1.00 0.00 C ATOM 53 CG1 VAL A 286 -1.332 -6.418 4.002 1.00 0.00 C ATOM 54 CG2 VAL A 286 -1.311 -3.949 4.409 1.00 0.00 C ATOM 0 H VAL A 286 -3.910 -4.365 5.385 1.00 0.00 H new ATOM 0 HA VAL A 286 -2.253 -6.519 6.522 1.00 0.00 H new ATOM 0 HB VAL A 286 -0.258 -5.412 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 286 -0.555 -6.275 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 286 -1.205 -7.392 4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 286 -2.311 -6.372 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 286 -0.533 -3.856 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 286 -2.288 -3.823 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 286 -1.170 -3.181 5.170 1.00 0.00 H new ATOM 64 N ARG A 287 -1.230 -4.858 8.192 1.00 0.00 N ATOM 65 CA ARG A 287 -0.949 -3.994 9.312 1.00 0.00 C ATOM 66 C ARG A 287 0.404 -3.336 9.148 1.00 0.00 C ATOM 67 O ARG A 287 1.371 -3.979 8.727 1.00 0.00 O ATOM 68 CB ARG A 287 -1.005 -4.774 10.626 1.00 0.00 C ATOM 69 CG ARG A 287 -2.314 -5.518 10.837 1.00 0.00 C ATOM 70 CD ARG A 287 -2.470 -5.983 12.272 1.00 0.00 C ATOM 71 NE ARG A 287 -2.492 -4.855 13.208 1.00 0.00 N ATOM 72 CZ ARG A 287 -3.584 -4.414 13.842 1.00 0.00 C ATOM 73 NH1 ARG A 287 -4.760 -5.012 13.654 1.00 0.00 N ATOM 74 NH2 ARG A 287 -3.498 -3.375 14.669 1.00 0.00 N ATOM 0 H ARG A 287 -0.712 -5.737 8.191 1.00 0.00 H new ATOM 0 HA ARG A 287 -1.713 -3.217 9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 287 -0.183 -5.489 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 287 -0.851 -4.084 11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 287 -3.148 -4.869 10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 287 -2.355 -6.378 10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 287 -3.392 -6.556 12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 287 -1.649 -6.653 12.529 1.00 0.00 H new ATOM 0 HE ARG A 287 -1.612 -4.372 13.389 1.00 0.00 H new ATOM 0 HH11 ARG A 287 -4.831 -5.811 13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 287 -5.589 -4.671 14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 287 -2.600 -2.916 14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 287 -4.330 -3.038 15.153 1.00 0.00 H new ATOM 77 N ALA A 288 0.467 -2.057 9.458 1.00 0.00 N ATOM 78 CA ALA A 288 1.706 -1.320 9.369 1.00 0.00 C ATOM 79 C ALA A 288 2.539 -1.555 10.610 1.00 0.00 C ATOM 80 O ALA A 288 2.183 -1.110 11.700 1.00 0.00 O ATOM 81 CB ALA A 288 1.431 0.162 9.185 1.00 0.00 C ATOM 0 H ALA A 288 -0.331 -1.506 9.775 1.00 0.00 H new ATOM 0 HA ALA A 288 2.263 -1.674 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 288 2.376 0.702 9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 288 0.861 0.315 8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 288 0.858 0.534 10.035 1.00 0.00 H new ATOM 87 N LEU A 289 3.639 -2.259 10.445 1.00 0.00 N ATOM 88 CA LEU A 289 4.514 -2.572 11.558 1.00 0.00 C ATOM 89 C LEU A 289 5.375 -1.370 11.898 1.00 0.00 C ATOM 90 O LEU A 289 5.816 -1.202 13.037 1.00 0.00 O ATOM 91 CB LEU A 289 5.400 -3.776 11.222 1.00 0.00 C ATOM 92 CG LEU A 289 4.665 -5.029 10.736 1.00 0.00 C ATOM 93 CD1 LEU A 289 5.641 -6.176 10.529 1.00 0.00 C ATOM 94 CD2 LEU A 289 3.566 -5.425 11.709 1.00 0.00 C ATOM 0 H LEU A 289 3.951 -2.628 9.546 1.00 0.00 H new ATOM 0 HA LEU A 289 3.900 -2.824 12.422 1.00 0.00 H new ATOM 0 HB2 LEU A 289 6.113 -3.475 10.455 1.00 0.00 H new ATOM 0 HB3 LEU A 289 5.977 -4.037 12.109 1.00 0.00 H new ATOM 0 HG LEU A 289 4.199 -4.799 9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 289 5.099 -7.057 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 289 6.384 -5.892 9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 289 6.140 -6.403 11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 289 3.059 -6.317 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 289 4.002 -5.632 12.686 1.00 0.00 H new ATOM 0 HD23 LEU A 289 2.848 -4.610 11.798 1.00 0.00 H new ATOM 106 N LYS A 290 5.604 -0.535 10.911 1.00 0.00 N ATOM 107 CA LYS A 290 6.395 0.655 11.091 1.00 0.00 C ATOM 108 C LYS A 290 5.671 1.842 10.473 1.00 0.00 C ATOM 109 O LYS A 290 4.750 1.662 9.673 1.00 0.00 O ATOM 110 CB LYS A 290 7.780 0.471 10.459 1.00 0.00 C ATOM 111 CG LYS A 290 8.762 1.588 10.771 1.00 0.00 C ATOM 112 CD LYS A 290 10.095 1.360 10.093 1.00 0.00 C ATOM 113 CE LYS A 290 10.784 0.108 10.622 1.00 0.00 C ATOM 114 NZ LYS A 290 12.136 -0.081 10.038 1.00 0.00 N ATOM 0 H LYS A 290 5.247 -0.663 9.964 1.00 0.00 H new ATOM 0 HA LYS A 290 6.533 0.843 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 290 8.201 -0.474 10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 290 7.666 0.394 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 290 8.346 2.541 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 290 8.908 1.655 11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 290 9.946 1.267 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 290 10.738 2.225 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 290 10.865 0.172 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 290 10.169 -0.764 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 12.565 -0.945 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 12.059 -0.169 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 12.733 0.738 10.272 1.00 0.00 H new ATOM 117 N ASP A 291 6.075 3.040 10.848 1.00 0.00 N ATOM 118 CA ASP A 291 5.451 4.250 10.335 1.00 0.00 C ATOM 119 C ASP A 291 5.958 4.549 8.944 1.00 0.00 C ATOM 120 O ASP A 291 7.083 4.180 8.589 1.00 0.00 O ATOM 121 CB ASP A 291 5.742 5.452 11.246 1.00 0.00 C ATOM 122 CG ASP A 291 5.184 5.295 12.644 1.00 0.00 C ATOM 123 OD1 ASP A 291 5.897 4.754 13.515 1.00 0.00 O ATOM 124 OD2 ASP A 291 4.034 5.721 12.885 1.00 0.00 O ATOM 0 H ASP A 291 6.835 3.205 11.508 1.00 0.00 H new ATOM 0 HA ASP A 291 4.374 4.082 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 291 6.820 5.599 11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 291 5.323 6.351 10.794 1.00 0.00 H new ATOM 127 N PHE A 292 5.141 5.206 8.156 1.00 0.00 N ATOM 128 CA PHE A 292 5.528 5.593 6.819 1.00 0.00 C ATOM 129 C PHE A 292 4.997 6.978 6.517 1.00 0.00 C ATOM 130 O PHE A 292 3.783 7.185 6.451 1.00 0.00 O ATOM 131 CB PHE A 292 4.999 4.591 5.789 1.00 0.00 C ATOM 132 CG PHE A 292 5.617 4.731 4.425 1.00 0.00 C ATOM 133 CD1 PHE A 292 6.962 4.464 4.230 1.00 0.00 C ATOM 134 CD2 PHE A 292 4.854 5.128 3.342 1.00 0.00 C ATOM 135 CE1 PHE A 292 7.533 4.592 2.979 1.00 0.00 C ATOM 136 CE2 PHE A 292 5.418 5.259 2.088 1.00 0.00 C ATOM 137 CZ PHE A 292 6.759 4.991 1.906 1.00 0.00 C ATOM 0 H PHE A 292 4.196 5.486 8.420 1.00 0.00 H new ATOM 0 HA PHE A 292 6.616 5.601 6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 292 5.178 3.580 6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 292 3.919 4.712 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 292 7.571 4.152 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 292 3.804 5.338 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 292 8.583 4.381 2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 292 4.810 5.571 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 292 7.203 5.093 0.927 1.00 0.00 H new ATOM 143 N TRP A 293 5.893 7.924 6.362 1.00 0.00 N ATOM 144 CA TRP A 293 5.512 9.287 6.068 1.00 0.00 C ATOM 145 C TRP A 293 6.524 9.932 5.141 1.00 0.00 C ATOM 146 O TRP A 293 7.620 10.310 5.560 1.00 0.00 O ATOM 147 CB TRP A 293 5.363 10.103 7.363 1.00 0.00 C ATOM 148 CG TRP A 293 4.932 11.527 7.136 1.00 0.00 C ATOM 149 CD1 TRP A 293 3.710 11.955 6.699 1.00 0.00 C ATOM 150 CD2 TRP A 293 5.718 12.707 7.347 1.00 0.00 C ATOM 151 NE1 TRP A 293 3.693 13.326 6.616 1.00 0.00 N ATOM 152 CE2 TRP A 293 4.912 13.812 7.009 1.00 0.00 C ATOM 153 CE3 TRP A 293 7.027 12.936 7.786 1.00 0.00 C ATOM 154 CZ2 TRP A 293 5.372 15.124 7.098 1.00 0.00 C ATOM 155 CZ3 TRP A 293 7.479 14.238 7.872 1.00 0.00 C ATOM 156 CH2 TRP A 293 6.653 15.317 7.531 1.00 0.00 C ATOM 0 H TRP A 293 6.899 7.774 6.435 1.00 0.00 H new ATOM 0 HA TRP A 293 4.545 9.272 5.565 1.00 0.00 H new ATOM 0 HB2 TRP A 293 4.636 9.612 8.010 1.00 0.00 H new ATOM 0 HB3 TRP A 293 6.315 10.101 7.894 1.00 0.00 H new ATOM 0 HD1 TRP A 293 2.879 11.310 6.455 1.00 0.00 H new ATOM 0 HE1 TRP A 293 2.901 13.891 6.311 1.00 0.00 H new ATOM 0 HE3 TRP A 293 7.671 12.111 8.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 293 4.739 15.958 6.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 293 8.488 14.428 8.208 1.00 0.00 H new ATOM 0 HH2 TRP A 293 7.037 16.323 7.612 1.00 0.00 H new ATOM 162 N ASN A 294 6.166 10.022 3.881 1.00 0.00 N ATOM 163 CA ASN A 294 7.015 10.648 2.889 1.00 0.00 C ATOM 164 C ASN A 294 6.395 11.971 2.477 1.00 0.00 C ATOM 165 O ASN A 294 5.214 12.024 2.140 1.00 0.00 O ATOM 166 CB ASN A 294 7.170 9.737 1.668 1.00 0.00 C ATOM 167 CG ASN A 294 8.180 10.263 0.663 1.00 0.00 C ATOM 168 OD1 ASN A 294 7.855 11.083 -0.197 1.00 0.00 O ATOM 169 ND2 ASN A 294 9.411 9.791 0.762 1.00 0.00 N ATOM 0 H ASN A 294 5.283 9.666 3.514 1.00 0.00 H new ATOM 0 HA ASN A 294 8.004 10.820 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 294 7.476 8.744 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 294 6.202 9.626 1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 294 10.131 10.105 0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 294 9.640 9.113 1.488 1.00 0.00 H new ATOM 176 N LEU A 295 7.175 13.031 2.511 1.00 0.00 N ATOM 177 CA LEU A 295 6.655 14.349 2.183 1.00 0.00 C ATOM 178 C LEU A 295 7.234 14.877 0.882 1.00 0.00 C ATOM 179 O LEU A 295 7.018 16.030 0.523 1.00 0.00 O ATOM 180 CB LEU A 295 6.904 15.354 3.323 1.00 0.00 C ATOM 181 CG LEU A 295 8.369 15.673 3.658 1.00 0.00 C ATOM 182 CD1 LEU A 295 8.460 17.017 4.363 1.00 0.00 C ATOM 183 CD2 LEU A 295 8.972 14.589 4.543 1.00 0.00 C ATOM 0 H LEU A 295 8.164 13.011 2.760 1.00 0.00 H new ATOM 0 HA LEU A 295 5.579 14.237 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 295 6.403 16.288 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 295 6.425 14.971 4.224 1.00 0.00 H new ATOM 0 HG LEU A 295 8.931 15.713 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 295 9.502 17.235 4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 295 8.063 17.797 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 295 7.880 16.984 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 295 10.010 14.837 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 295 8.407 14.522 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 295 8.932 13.631 4.024 1.00 0.00 H new ATOM 195 N HIS A 296 7.968 14.041 0.175 1.00 0.00 N ATOM 196 CA HIS A 296 8.537 14.454 -1.100 1.00 0.00 C ATOM 197 C HIS A 296 7.592 14.092 -2.234 1.00 0.00 C ATOM 198 O HIS A 296 7.404 14.866 -3.171 1.00 0.00 O ATOM 199 CB HIS A 296 9.919 13.823 -1.330 1.00 0.00 C ATOM 200 CG HIS A 296 10.645 14.376 -2.532 1.00 0.00 C ATOM 201 ND1 HIS A 296 11.639 15.327 -2.443 1.00 0.00 N ATOM 202 CD2 HIS A 296 10.514 14.105 -3.856 1.00 0.00 C ATOM 203 CE1 HIS A 296 12.084 15.616 -3.652 1.00 0.00 C ATOM 204 NE2 HIS A 296 11.419 14.888 -4.525 1.00 0.00 N ATOM 0 H HIS A 296 8.185 13.084 0.453 1.00 0.00 H new ATOM 0 HA HIS A 296 8.668 15.536 -1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 296 10.532 13.979 -0.442 1.00 0.00 H new ATOM 0 HB3 HIS A 296 9.802 12.746 -1.451 1.00 0.00 H new ATOM 0 HD2 HIS A 296 9.824 13.402 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 296 12.861 16.328 -3.885 1.00 0.00 H new ATOM 0 HE2 HIS A 296 11.555 14.904 -5.536 1.00 0.00 H new ATOM 209 N ASP A 297 7.003 12.913 -2.148 1.00 0.00 N ATOM 210 CA ASP A 297 6.058 12.456 -3.156 1.00 0.00 C ATOM 211 C ASP A 297 4.634 12.615 -2.647 1.00 0.00 C ATOM 212 O ASP A 297 4.283 12.070 -1.603 1.00 0.00 O ATOM 213 CB ASP A 297 6.302 10.984 -3.520 1.00 0.00 C ATOM 214 CG ASP A 297 7.623 10.745 -4.212 1.00 0.00 C ATOM 215 OD1 ASP A 297 7.749 11.106 -5.400 1.00 0.00 O ATOM 216 OD2 ASP A 297 8.535 10.176 -3.578 1.00 0.00 O ATOM 0 H ASP A 297 7.162 12.251 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 297 6.203 13.065 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 297 6.263 10.382 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.495 10.639 -4.166 1.00 0.00 H new ATOM 219 N PRO A 298 3.792 13.372 -3.364 1.00 0.00 N ATOM 220 CA PRO A 298 2.387 13.562 -2.981 1.00 0.00 C ATOM 221 C PRO A 298 1.602 12.251 -3.050 1.00 0.00 C ATOM 222 O PRO A 298 0.639 12.044 -2.310 1.00 0.00 O ATOM 223 CB PRO A 298 1.850 14.554 -4.029 1.00 0.00 C ATOM 224 CG PRO A 298 3.062 15.161 -4.653 1.00 0.00 C ATOM 225 CD PRO A 298 4.134 14.115 -4.588 1.00 0.00 C ATOM 0 HA PRO A 298 2.289 13.918 -1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 298 1.237 14.046 -4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 298 1.223 15.315 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 298 2.864 15.452 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 298 3.365 16.062 -4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 298 4.125 13.471 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 298 5.128 14.558 -4.528 1.00 0.00 H new ATOM 233 N THR A 299 2.041 11.367 -3.933 1.00 0.00 N ATOM 234 CA THR A 299 1.392 10.084 -4.135 1.00 0.00 C ATOM 235 C THR A 299 1.871 9.035 -3.113 1.00 0.00 C ATOM 236 O THR A 299 1.380 7.902 -3.093 1.00 0.00 O ATOM 237 CB THR A 299 1.640 9.563 -5.577 1.00 0.00 C ATOM 238 OG1 THR A 299 1.024 8.282 -5.763 1.00 0.00 O ATOM 239 CG2 THR A 299 3.133 9.464 -5.867 1.00 0.00 C ATOM 0 H THR A 299 2.855 11.520 -4.528 1.00 0.00 H new ATOM 0 HA THR A 299 0.323 10.238 -3.988 1.00 0.00 H new ATOM 0 HB THR A 299 1.194 10.275 -6.272 1.00 0.00 H new ATOM 0 HG1 THR A 299 1.011 7.798 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 299 3.283 9.097 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 299 3.589 10.449 -5.766 1.00 0.00 H new ATOM 0 HG23 THR A 299 3.596 8.775 -5.160 1.00 0.00 H new ATOM 246 N ALA A 300 2.818 9.416 -2.267 1.00 0.00 N ATOM 247 CA ALA A 300 3.341 8.505 -1.260 1.00 0.00 C ATOM 248 C ALA A 300 2.301 8.244 -0.189 1.00 0.00 C ATOM 249 O ALA A 300 1.464 9.103 0.096 1.00 0.00 O ATOM 250 CB ALA A 300 4.602 9.059 -0.638 1.00 0.00 C ATOM 0 H ALA A 300 3.238 10.346 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 300 3.584 7.562 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.975 8.361 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 300 5.358 9.199 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.384 10.017 -0.166 1.00 0.00 H new ATOM 256 N LEU A 301 2.353 7.070 0.402 1.00 0.00 N ATOM 257 CA LEU A 301 1.400 6.698 1.425 1.00 0.00 C ATOM 258 C LEU A 301 1.814 7.260 2.779 1.00 0.00 C ATOM 259 O LEU A 301 2.991 7.524 3.024 1.00 0.00 O ATOM 260 CB LEU A 301 1.285 5.171 1.526 1.00 0.00 C ATOM 261 CG LEU A 301 0.203 4.652 2.481 1.00 0.00 C ATOM 262 CD1 LEU A 301 -1.172 4.743 1.845 1.00 0.00 C ATOM 263 CD2 LEU A 301 0.503 3.233 2.920 1.00 0.00 C ATOM 0 H LEU A 301 3.048 6.354 0.191 1.00 0.00 H new ATOM 0 HA LEU A 301 0.433 7.115 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 301 1.088 4.772 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 301 2.248 4.772 1.845 1.00 0.00 H new ATOM 0 HG LEU A 301 0.206 5.286 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -1.921 4.369 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -1.391 5.782 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -1.192 4.143 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -0.279 2.888 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 301 0.540 2.582 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 301 1.464 3.206 3.433 1.00 0.00 H new ATOM 275 N ASN A 302 0.838 7.466 3.631 1.00 0.00 N ATOM 276 CA ASN A 302 1.080 7.898 4.987 1.00 0.00 C ATOM 277 C ASN A 302 0.351 6.964 5.934 1.00 0.00 C ATOM 278 O ASN A 302 -0.860 6.815 5.849 1.00 0.00 O ATOM 279 CB ASN A 302 0.641 9.367 5.212 1.00 0.00 C ATOM 280 CG ASN A 302 -0.850 9.628 4.963 1.00 0.00 C ATOM 281 OD1 ASN A 302 -1.475 9.026 4.081 1.00 0.00 O ATOM 282 ND2 ASN A 302 -1.425 10.525 5.740 1.00 0.00 N ATOM 0 H ASN A 302 -0.148 7.339 3.403 1.00 0.00 H new ATOM 0 HA ASN A 302 2.152 7.860 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 302 0.881 9.652 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 302 1.225 10.012 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 302 -2.415 10.741 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 302 -0.880 11.003 6.458 1.00 0.00 H new ATOM 289 N VAL A 303 1.086 6.305 6.800 1.00 0.00 N ATOM 290 CA VAL A 303 0.475 5.371 7.726 1.00 0.00 C ATOM 291 C VAL A 303 1.182 5.395 9.072 1.00 0.00 C ATOM 292 O VAL A 303 2.397 5.624 9.150 1.00 0.00 O ATOM 293 CB VAL A 303 0.455 3.919 7.154 1.00 0.00 C ATOM 294 CG1 VAL A 303 1.856 3.352 7.012 1.00 0.00 C ATOM 295 CG2 VAL A 303 -0.413 3.005 8.007 1.00 0.00 C ATOM 0 H VAL A 303 2.098 6.395 6.885 1.00 0.00 H new ATOM 0 HA VAL A 303 -0.557 5.691 7.868 1.00 0.00 H new ATOM 0 HB VAL A 303 0.018 3.971 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 303 1.800 2.340 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 303 2.435 3.979 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 303 2.340 3.329 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -0.408 2.000 7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -0.019 2.973 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.434 3.386 8.025 1.00 0.00 H new ATOM 305 N ARG A 304 0.413 5.192 10.120 1.00 0.00 N ATOM 306 CA ARG A 304 0.930 5.164 11.466 1.00 0.00 C ATOM 307 C ARG A 304 1.175 3.720 11.875 1.00 0.00 C ATOM 308 O ARG A 304 0.399 2.830 11.509 1.00 0.00 O ATOM 309 CB ARG A 304 -0.089 5.797 12.412 1.00 0.00 C ATOM 310 CG ARG A 304 0.472 6.246 13.746 1.00 0.00 C ATOM 311 CD ARG A 304 1.521 7.320 13.557 1.00 0.00 C ATOM 312 NE ARG A 304 1.801 8.038 14.795 1.00 0.00 N ATOM 313 CZ ARG A 304 3.019 8.384 15.202 1.00 0.00 C ATOM 314 NH1 ARG A 304 4.095 7.947 14.549 1.00 0.00 N ATOM 315 NH2 ARG A 304 3.159 9.131 16.286 1.00 0.00 N ATOM 0 H ARG A 304 -0.594 5.041 10.059 1.00 0.00 H new ATOM 0 HA ARG A 304 1.865 5.722 11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 304 -0.539 6.657 11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 304 -0.889 5.079 12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 304 -0.334 6.626 14.375 1.00 0.00 H new ATOM 0 HG3 ARG A 304 0.908 5.394 14.267 1.00 0.00 H new ATOM 0 HD2 ARG A 304 2.440 6.867 13.186 1.00 0.00 H new ATOM 0 HD3 ARG A 304 1.184 8.026 12.798 1.00 0.00 H new ATOM 0 HE ARG A 304 1.011 8.292 15.388 1.00 0.00 H new ATOM 0 HH11 ARG A 304 3.987 7.344 13.733 1.00 0.00 H new ATOM 0 HH12 ARG A 304 5.027 8.215 14.865 1.00 0.00 H new ATOM 0 HH21 ARG A 304 2.335 9.438 16.804 1.00 0.00 H new ATOM 0 HH22 ARG A 304 4.090 9.400 16.603 1.00 0.00 H new ATOM 318 N ALA A 305 2.245 3.485 12.612 1.00 0.00 N ATOM 319 CA ALA A 305 2.553 2.142 13.083 1.00 0.00 C ATOM 320 C ALA A 305 1.401 1.597 13.921 1.00 0.00 C ATOM 321 O ALA A 305 0.998 2.210 14.914 1.00 0.00 O ATOM 322 CB ALA A 305 3.843 2.140 13.889 1.00 0.00 C ATOM 0 H ALA A 305 2.914 4.200 12.898 1.00 0.00 H new ATOM 0 HA ALA A 305 2.689 1.495 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 305 4.056 1.128 14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 305 4.663 2.491 13.263 1.00 0.00 H new ATOM 0 HB3 ALA A 305 3.735 2.800 14.750 1.00 0.00 H new ATOM 328 N GLY A 306 0.861 0.470 13.506 1.00 0.00 N ATOM 329 CA GLY A 306 -0.237 -0.130 14.225 1.00 0.00 C ATOM 330 C GLY A 306 -1.565 0.007 13.503 1.00 0.00 C ATOM 331 O GLY A 306 -2.554 -0.612 13.900 1.00 0.00 O ATOM 0 H GLY A 306 1.164 -0.045 12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -0.024 -1.187 14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -0.315 0.332 15.209 1.00 0.00 H new ATOM 335 N ASP A 307 -1.601 0.815 12.445 1.00 0.00 N ATOM 336 CA ASP A 307 -2.843 1.013 11.689 1.00 0.00 C ATOM 337 C ASP A 307 -2.991 -0.074 10.626 1.00 0.00 C ATOM 338 O ASP A 307 -2.045 -0.829 10.362 1.00 0.00 O ATOM 339 CB ASP A 307 -2.879 2.405 11.036 1.00 0.00 C ATOM 340 CG ASP A 307 -4.296 2.959 10.900 1.00 0.00 C ATOM 341 OD1 ASP A 307 -5.105 2.386 10.140 1.00 0.00 O ATOM 342 OD2 ASP A 307 -4.610 3.964 11.571 1.00 0.00 O ATOM 0 H ASP A 307 -0.799 1.338 12.093 1.00 0.00 H new ATOM 0 HA ASP A 307 -3.679 0.946 12.386 1.00 0.00 H new ATOM 0 HB2 ASP A 307 -2.279 3.095 11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 307 -2.419 2.350 10.049 1.00 0.00 H new ATOM 345 N VAL A 308 -4.158 -0.147 10.015 1.00 0.00 N ATOM 346 CA VAL A 308 -4.439 -1.172 9.025 1.00 0.00 C ATOM 347 C VAL A 308 -4.666 -0.568 7.639 1.00 0.00 C ATOM 348 O VAL A 308 -5.462 0.358 7.465 1.00 0.00 O ATOM 349 CB VAL A 308 -5.658 -2.050 9.429 1.00 0.00 C ATOM 350 CG1 VAL A 308 -5.355 -2.824 10.701 1.00 0.00 C ATOM 351 CG2 VAL A 308 -6.914 -1.205 9.615 1.00 0.00 C ATOM 0 H VAL A 308 -4.932 0.495 10.187 1.00 0.00 H new ATOM 0 HA VAL A 308 -3.558 -1.812 8.984 1.00 0.00 H new ATOM 0 HB VAL A 308 -5.843 -2.755 8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 308 -6.218 -3.433 10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 308 -4.492 -3.469 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 308 -5.138 -2.125 11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 308 -7.747 -1.849 9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 308 -6.744 -0.468 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 308 -7.150 -0.694 8.682 1.00 0.00 H new ATOM 361 N ILE A 309 -3.959 -1.093 6.663 1.00 0.00 N ATOM 362 CA ILE A 309 -4.065 -0.623 5.297 1.00 0.00 C ATOM 363 C ILE A 309 -4.975 -1.546 4.498 1.00 0.00 C ATOM 364 O ILE A 309 -4.798 -2.769 4.513 1.00 0.00 O ATOM 365 CB ILE A 309 -2.674 -0.568 4.613 1.00 0.00 C ATOM 366 CG1 ILE A 309 -1.714 0.317 5.415 1.00 0.00 C ATOM 367 CG2 ILE A 309 -2.799 -0.054 3.182 1.00 0.00 C ATOM 368 CD1 ILE A 309 -0.270 0.201 4.984 1.00 0.00 C ATOM 0 H ILE A 309 -3.295 -1.857 6.792 1.00 0.00 H new ATOM 0 HA ILE A 309 -4.483 0.383 5.322 1.00 0.00 H new ATOM 0 HB ILE A 309 -2.269 -1.579 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -2.029 1.356 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.790 0.055 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -1.813 -0.023 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -3.447 -0.720 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.227 0.948 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 309 0.347 0.857 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 309 0.064 -0.829 5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -0.178 0.492 3.937 1.00 0.00 H new ATOM 379 N THR A 310 -5.946 -0.968 3.818 1.00 0.00 N ATOM 380 CA THR A 310 -6.854 -1.740 2.999 1.00 0.00 C ATOM 381 C THR A 310 -6.406 -1.694 1.549 1.00 0.00 C ATOM 382 O THR A 310 -6.505 -0.656 0.888 1.00 0.00 O ATOM 383 CB THR A 310 -8.299 -1.209 3.098 1.00 0.00 C ATOM 384 OG1 THR A 310 -8.662 -1.042 4.477 1.00 0.00 O ATOM 385 CG2 THR A 310 -9.266 -2.179 2.440 1.00 0.00 C ATOM 0 H THR A 310 -6.125 0.036 3.818 1.00 0.00 H new ATOM 0 HA THR A 310 -6.838 -2.766 3.366 1.00 0.00 H new ATOM 0 HB THR A 310 -8.352 -0.249 2.585 1.00 0.00 H new ATOM 0 HG1 THR A 310 -9.580 -0.703 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 310 -10.281 -1.790 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 310 -9.003 -2.298 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 310 -9.208 -3.146 2.940 1.00 0.00 H new ATOM 392 N VAL A 311 -5.900 -2.799 1.057 1.00 0.00 N ATOM 393 CA VAL A 311 -5.427 -2.857 -0.303 1.00 0.00 C ATOM 394 C VAL A 311 -6.528 -3.352 -1.233 1.00 0.00 C ATOM 395 O VAL A 311 -7.300 -4.245 -0.879 1.00 0.00 O ATOM 396 CB VAL A 311 -4.171 -3.761 -0.444 1.00 0.00 C ATOM 397 CG1 VAL A 311 -3.065 -3.293 0.486 1.00 0.00 C ATOM 398 CG2 VAL A 311 -4.505 -5.218 -0.177 1.00 0.00 C ATOM 0 H VAL A 311 -5.806 -3.670 1.579 1.00 0.00 H new ATOM 0 HA VAL A 311 -5.143 -1.844 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 311 -3.820 -3.679 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -2.195 -3.940 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -2.790 -2.268 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 311 -3.415 -3.335 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -3.605 -5.823 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 311 -4.894 -5.322 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -5.256 -5.556 -0.891 1.00 0.00 H new ATOM 408 N LEU A 312 -6.611 -2.752 -2.408 1.00 0.00 N ATOM 409 CA LEU A 312 -7.590 -3.159 -3.409 1.00 0.00 C ATOM 410 C LEU A 312 -7.062 -4.363 -4.174 1.00 0.00 C ATOM 411 O LEU A 312 -7.797 -5.039 -4.907 1.00 0.00 O ATOM 412 CB LEU A 312 -7.906 -2.002 -4.385 1.00 0.00 C ATOM 413 CG LEU A 312 -6.801 -1.610 -5.392 1.00 0.00 C ATOM 414 CD1 LEU A 312 -7.356 -0.654 -6.426 1.00 0.00 C ATOM 415 CD2 LEU A 312 -5.602 -0.978 -4.692 1.00 0.00 C ATOM 0 H LEU A 312 -6.011 -1.979 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 312 -8.516 -3.427 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -8.799 -2.270 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -8.155 -1.120 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 312 -6.461 -2.521 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -6.570 -0.384 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -8.175 -1.133 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -7.724 0.245 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -4.846 -0.716 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -5.921 -0.079 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -5.181 -1.687 -3.979 1.00 0.00 H new ATOM 427 N GLU A 313 -5.783 -4.619 -3.984 1.00 0.00 N ATOM 428 CA GLU A 313 -5.100 -5.712 -4.618 1.00 0.00 C ATOM 429 C GLU A 313 -3.844 -6.027 -3.820 1.00 0.00 C ATOM 430 O GLU A 313 -3.203 -5.114 -3.287 1.00 0.00 O ATOM 431 CB GLU A 313 -4.745 -5.338 -6.061 1.00 0.00 C ATOM 432 CG GLU A 313 -4.122 -6.466 -6.854 1.00 0.00 C ATOM 433 CD GLU A 313 -4.934 -7.734 -6.774 1.00 0.00 C ATOM 434 OE1 GLU A 313 -6.000 -7.805 -7.412 1.00 0.00 O ATOM 435 OE2 GLU A 313 -4.516 -8.661 -6.060 1.00 0.00 O ATOM 0 H GLU A 313 -5.186 -4.061 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 313 -5.742 -6.592 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 313 -5.648 -5.004 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 313 -4.056 -4.493 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 313 -4.024 -6.164 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 313 -3.115 -6.657 -6.482 1.00 0.00 H new ATOM 438 N GLN A 314 -3.495 -7.300 -3.731 1.00 0.00 N ATOM 439 CA GLN A 314 -2.323 -7.712 -2.975 1.00 0.00 C ATOM 440 C GLN A 314 -1.038 -7.299 -3.690 1.00 0.00 C ATOM 441 O GLN A 314 -0.050 -6.974 -3.047 1.00 0.00 O ATOM 442 CB GLN A 314 -2.343 -9.225 -2.709 1.00 0.00 C ATOM 443 CG GLN A 314 -2.306 -10.079 -3.964 1.00 0.00 C ATOM 444 CD GLN A 314 -2.387 -11.563 -3.667 1.00 0.00 C ATOM 445 OE1 GLN A 314 -3.018 -11.988 -2.694 1.00 0.00 O ATOM 446 NE2 GLN A 314 -1.743 -12.357 -4.492 1.00 0.00 N ATOM 0 H GLN A 314 -4.005 -8.065 -4.172 1.00 0.00 H new ATOM 0 HA GLN A 314 -2.349 -7.202 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 314 -1.490 -9.483 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 314 -3.241 -9.471 -2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 314 -3.134 -9.797 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 314 -1.387 -9.872 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 314 -1.234 -11.965 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 314 -1.752 -13.366 -4.341 1.00 0.00 H new ATOM 455 N HIS A 315 -1.077 -7.301 -5.032 1.00 0.00 N ATOM 456 CA HIS A 315 0.077 -6.898 -5.864 1.00 0.00 C ATOM 457 C HIS A 315 1.237 -7.894 -5.750 1.00 0.00 C ATOM 458 O HIS A 315 1.317 -8.663 -4.790 1.00 0.00 O ATOM 459 CB HIS A 315 0.576 -5.488 -5.474 1.00 0.00 C ATOM 460 CG HIS A 315 -0.370 -4.379 -5.801 1.00 0.00 C ATOM 461 ND1 HIS A 315 -1.389 -3.983 -4.963 1.00 0.00 N ATOM 462 CD2 HIS A 315 -0.440 -3.568 -6.877 1.00 0.00 C ATOM 463 CE1 HIS A 315 -2.041 -2.978 -5.511 1.00 0.00 C ATOM 464 NE2 HIS A 315 -1.486 -2.708 -6.670 1.00 0.00 N ATOM 0 H HIS A 315 -1.898 -7.578 -5.570 1.00 0.00 H new ATOM 0 HA HIS A 315 -0.270 -6.886 -6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 315 0.777 -5.472 -4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 315 1.523 -5.300 -5.979 1.00 0.00 H new ATOM 0 HD1 HIS A 315 -1.605 -4.403 -4.059 1.00 0.00 H new ATOM 0 HD2 HIS A 315 0.208 -3.592 -7.741 1.00 0.00 H new ATOM 0 HE1 HIS A 315 -2.888 -2.464 -5.080 1.00 0.00 H new ATOM 469 N PRO A 316 2.126 -7.928 -6.752 1.00 0.00 N ATOM 470 CA PRO A 316 3.332 -8.749 -6.689 1.00 0.00 C ATOM 471 C PRO A 316 4.232 -8.277 -5.552 1.00 0.00 C ATOM 472 O PRO A 316 4.397 -7.069 -5.344 1.00 0.00 O ATOM 473 CB PRO A 316 4.010 -8.510 -8.050 1.00 0.00 C ATOM 474 CG PRO A 316 3.414 -7.243 -8.563 1.00 0.00 C ATOM 475 CD PRO A 316 2.017 -7.198 -8.028 1.00 0.00 C ATOM 0 HA PRO A 316 3.122 -9.802 -6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 316 5.091 -8.422 -7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 316 3.825 -9.338 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 316 3.988 -6.379 -8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 316 3.415 -7.224 -9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 316 1.675 -6.174 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 316 1.310 -7.675 -8.706 1.00 0.00 H new ATOM 483 N ASP A 317 4.802 -9.214 -4.810 1.00 0.00 N ATOM 484 CA ASP A 317 5.635 -8.865 -3.673 1.00 0.00 C ATOM 485 C ASP A 317 6.859 -8.066 -4.115 1.00 0.00 C ATOM 486 O ASP A 317 7.682 -8.525 -4.920 1.00 0.00 O ATOM 487 CB ASP A 317 6.034 -10.109 -2.852 1.00 0.00 C ATOM 488 CG ASP A 317 7.065 -10.987 -3.528 1.00 0.00 C ATOM 489 OD1 ASP A 317 6.758 -11.576 -4.584 1.00 0.00 O ATOM 490 OD2 ASP A 317 8.191 -11.090 -3.005 1.00 0.00 O ATOM 0 H ASP A 317 4.703 -10.216 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 317 5.043 -8.228 -3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 317 6.424 -9.785 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 317 5.141 -10.702 -2.652 1.00 0.00 H new ATOM 493 N GLY A 318 6.941 -6.860 -3.611 1.00 0.00 N ATOM 494 CA GLY A 318 8.019 -5.958 -3.948 1.00 0.00 C ATOM 495 C GLY A 318 7.647 -4.537 -3.610 1.00 0.00 C ATOM 496 O GLY A 318 8.444 -3.793 -3.046 1.00 0.00 O ATOM 0 H GLY A 318 6.263 -6.474 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 318 8.921 -6.242 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 318 8.248 -6.037 -5.011 1.00 0.00 H new ATOM 500 N ARG A 319 6.421 -4.168 -3.953 1.00 0.00 N ATOM 501 CA ARG A 319 5.880 -2.857 -3.638 1.00 0.00 C ATOM 502 C ARG A 319 4.358 -2.906 -3.641 1.00 0.00 C ATOM 503 O ARG A 319 3.737 -3.313 -4.626 1.00 0.00 O ATOM 504 CB ARG A 319 6.410 -1.779 -4.601 1.00 0.00 C ATOM 505 CG ARG A 319 6.195 -2.077 -6.075 1.00 0.00 C ATOM 506 CD ARG A 319 6.798 -0.985 -6.948 1.00 0.00 C ATOM 507 NE ARG A 319 6.129 0.311 -6.756 1.00 0.00 N ATOM 508 CZ ARG A 319 6.628 1.486 -7.162 1.00 0.00 C ATOM 509 NH1 ARG A 319 7.826 1.539 -7.733 1.00 0.00 N ATOM 510 NH2 ARG A 319 5.931 2.605 -6.981 1.00 0.00 N ATOM 0 H ARG A 319 5.773 -4.772 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 319 6.215 -2.580 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 319 5.928 -0.831 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 319 7.477 -1.647 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 319 6.646 -3.037 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 319 5.128 -2.163 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 319 7.859 -0.882 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 319 6.726 -1.278 -7.995 1.00 0.00 H new ATOM 0 HE ARG A 319 5.226 0.315 -6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 319 8.367 0.684 -7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 319 8.205 2.434 -8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 319 5.016 2.569 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 319 6.312 3.499 -7.291 1.00 0.00 H new ATOM 513 N TRP A 320 3.768 -2.510 -2.534 1.00 0.00 N ATOM 514 CA TRP A 320 2.327 -2.561 -2.370 1.00 0.00 C ATOM 515 C TRP A 320 1.678 -1.235 -2.723 1.00 0.00 C ATOM 516 O TRP A 320 2.359 -0.242 -2.989 1.00 0.00 O ATOM 517 CB TRP A 320 1.968 -2.924 -0.933 1.00 0.00 C ATOM 518 CG TRP A 320 2.219 -4.350 -0.557 1.00 0.00 C ATOM 519 CD1 TRP A 320 3.425 -4.954 -0.364 1.00 0.00 C ATOM 520 CD2 TRP A 320 1.227 -5.346 -0.296 1.00 0.00 C ATOM 521 NE1 TRP A 320 3.242 -6.268 -0.008 1.00 0.00 N ATOM 522 CE2 TRP A 320 1.901 -6.531 0.041 1.00 0.00 C ATOM 523 CE3 TRP A 320 -0.167 -5.348 -0.320 1.00 0.00 C ATOM 524 CZ2 TRP A 320 1.228 -7.707 0.356 1.00 0.00 C ATOM 525 CZ3 TRP A 320 -0.836 -6.516 -0.009 1.00 0.00 C ATOM 526 CH2 TRP A 320 -0.139 -7.678 0.327 1.00 0.00 C ATOM 0 H TRP A 320 4.269 -2.145 -1.724 1.00 0.00 H new ATOM 0 HA TRP A 320 1.951 -3.325 -3.050 1.00 0.00 H new ATOM 0 HB2 TRP A 320 2.536 -2.282 -0.260 1.00 0.00 H new ATOM 0 HB3 TRP A 320 0.913 -2.702 -0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 320 4.384 -4.470 -0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 320 3.985 -6.938 0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 320 -0.714 -4.453 -0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 320 1.764 -8.608 0.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 320 -1.916 -6.530 -0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 320 -0.691 -8.574 0.569 1.00 0.00 H new ATOM 532 N LYS A 321 0.355 -1.234 -2.712 1.00 0.00 N ATOM 533 CA LYS A 321 -0.445 -0.054 -2.992 1.00 0.00 C ATOM 534 C LYS A 321 -1.815 -0.235 -2.345 1.00 0.00 C ATOM 535 O LYS A 321 -2.580 -1.124 -2.733 1.00 0.00 O ATOM 536 CB LYS A 321 -0.573 0.158 -4.508 1.00 0.00 C ATOM 537 CG LYS A 321 -1.208 1.479 -4.903 1.00 0.00 C ATOM 538 CD LYS A 321 -1.222 1.656 -6.412 1.00 0.00 C ATOM 539 CE LYS A 321 -1.835 2.987 -6.811 1.00 0.00 C ATOM 540 NZ LYS A 321 -1.774 3.206 -8.276 1.00 0.00 N ATOM 0 H LYS A 321 -0.200 -2.064 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 321 0.036 0.832 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 321 0.419 0.096 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -1.164 -0.656 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -2.228 1.524 -4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -0.659 2.301 -4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -0.204 1.594 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -1.786 0.843 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -2.873 3.022 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -1.311 3.795 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -2.202 4.125 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -0.782 3.198 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -2.295 2.449 -8.762 1.00 0.00 H new ATOM 543 N GLY A 322 -2.115 0.592 -1.356 1.00 0.00 N ATOM 544 CA GLY A 322 -3.335 0.423 -0.591 1.00 0.00 C ATOM 545 C GLY A 322 -3.953 1.730 -0.147 1.00 0.00 C ATOM 546 O GLY A 322 -3.405 2.802 -0.394 1.00 0.00 O ATOM 0 H GLY A 322 -1.535 1.380 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -4.059 -0.126 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -3.123 -0.187 0.287 1.00 0.00 H new ATOM 550 N HIS A 323 -5.108 1.633 0.498 1.00 0.00 N ATOM 551 CA HIS A 323 -5.836 2.796 0.989 1.00 0.00 C ATOM 552 C HIS A 323 -5.721 2.867 2.504 1.00 0.00 C ATOM 553 O HIS A 323 -5.861 1.850 3.192 1.00 0.00 O ATOM 554 CB HIS A 323 -7.323 2.700 0.627 1.00 0.00 C ATOM 555 CG HIS A 323 -7.623 2.628 -0.838 1.00 0.00 C ATOM 556 ND1 HIS A 323 -8.125 1.495 -1.450 1.00 0.00 N ATOM 557 CD2 HIS A 323 -7.513 3.558 -1.811 1.00 0.00 C ATOM 558 CE1 HIS A 323 -8.307 1.735 -2.733 1.00 0.00 C ATOM 559 NE2 HIS A 323 -7.945 2.976 -2.978 1.00 0.00 N ATOM 0 H HIS A 323 -5.567 0.744 0.696 1.00 0.00 H new ATOM 0 HA HIS A 323 -5.405 3.684 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 323 -7.741 1.817 1.110 1.00 0.00 H new ATOM 0 HB3 HIS A 323 -7.838 3.565 1.044 1.00 0.00 H new ATOM 0 HD2 HIS A 323 -7.153 4.569 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 323 -8.688 1.033 -3.459 1.00 0.00 H new ATOM 0 HE2 HIS A 323 -7.980 3.433 -3.889 1.00 0.00 H new ATOM 564 N ILE A 324 -5.491 4.053 3.025 1.00 0.00 N ATOM 565 CA ILE A 324 -5.333 4.229 4.459 1.00 0.00 C ATOM 566 C ILE A 324 -6.218 5.379 4.964 1.00 0.00 C ATOM 567 O ILE A 324 -6.502 6.325 4.225 1.00 0.00 O ATOM 568 CB ILE A 324 -3.844 4.515 4.813 1.00 0.00 C ATOM 569 CG1 ILE A 324 -3.604 4.424 6.324 1.00 0.00 C ATOM 570 CG2 ILE A 324 -3.418 5.880 4.288 1.00 0.00 C ATOM 571 CD1 ILE A 324 -3.768 3.035 6.887 1.00 0.00 C ATOM 0 H ILE A 324 -5.409 4.911 2.480 1.00 0.00 H new ATOM 0 HA ILE A 324 -5.642 3.306 4.949 1.00 0.00 H new ATOM 0 HB ILE A 324 -3.236 3.751 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 324 -2.597 4.778 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 324 -4.296 5.095 6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 324 -2.374 6.060 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 324 -3.533 5.905 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 324 -4.041 6.653 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 324 -3.582 3.053 7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 324 -4.783 2.684 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 324 -3.058 2.362 6.407 1.00 0.00 H new ATOM 582 N HIS A 325 -6.663 5.284 6.213 1.00 0.00 N ATOM 583 CA HIS A 325 -7.483 6.335 6.817 1.00 0.00 C ATOM 584 C HIS A 325 -6.636 7.301 7.623 1.00 0.00 C ATOM 585 O HIS A 325 -7.162 8.157 8.343 1.00 0.00 O ATOM 586 CB HIS A 325 -8.588 5.748 7.693 1.00 0.00 C ATOM 587 CG HIS A 325 -9.856 5.498 6.953 1.00 0.00 C ATOM 588 ND1 HIS A 325 -10.885 6.408 6.905 1.00 0.00 N ATOM 589 CD2 HIS A 325 -10.255 4.445 6.213 1.00 0.00 C ATOM 590 CE1 HIS A 325 -11.859 5.927 6.166 1.00 0.00 C ATOM 591 NE2 HIS A 325 -11.505 4.735 5.730 1.00 0.00 N ATOM 0 H HIS A 325 -6.472 4.493 6.828 1.00 0.00 H new ATOM 0 HA HIS A 325 -7.950 6.885 6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -8.239 4.812 8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -8.787 6.429 8.520 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -9.694 3.540 6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -12.793 6.425 5.952 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -12.067 4.129 5.133 1.00 0.00 H new ATOM 678 N ARG A 333 -7.429 7.497 0.998 1.00 0.00 N ATOM 679 CA ARG A 333 -6.429 7.902 0.038 1.00 0.00 C ATOM 680 C ARG A 333 -5.572 6.714 -0.366 1.00 0.00 C ATOM 681 O ARG A 333 -5.266 5.842 0.457 1.00 0.00 O ATOM 682 CB ARG A 333 -5.561 9.032 0.592 1.00 0.00 C ATOM 683 CG ARG A 333 -4.702 9.704 -0.464 1.00 0.00 C ATOM 684 CD ARG A 333 -3.875 10.834 0.115 1.00 0.00 C ATOM 685 NE ARG A 333 -2.849 10.343 1.023 1.00 0.00 N ATOM 686 CZ ARG A 333 -1.575 10.144 0.672 1.00 0.00 C ATOM 687 NH1 ARG A 333 -1.182 10.358 -0.582 1.00 0.00 N ATOM 688 NH2 ARG A 333 -0.699 9.723 1.568 1.00 0.00 N ATOM 0 HA ARG A 333 -6.940 8.278 -0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 333 -6.204 9.780 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 333 -4.916 8.634 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 333 -4.041 8.966 -0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 333 -5.340 10.091 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 333 -3.406 11.393 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 333 -4.528 11.527 0.645 1.00 0.00 H new ATOM 0 HE ARG A 333 -3.119 10.138 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 333 -1.855 10.675 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 333 -0.208 10.205 -0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 333 -0.995 9.550 2.529 1.00 0.00 H new ATOM 0 HH22 ARG A 333 0.273 9.571 1.299 1.00 0.00 H new ATOM 691 N ILE A 334 -5.206 6.674 -1.634 1.00 0.00 N ATOM 692 CA ILE A 334 -4.406 5.592 -2.173 1.00 0.00 C ATOM 693 C ILE A 334 -2.919 5.965 -2.160 1.00 0.00 C ATOM 694 O ILE A 334 -2.555 7.115 -2.411 1.00 0.00 O ATOM 695 CB ILE A 334 -4.856 5.245 -3.628 1.00 0.00 C ATOM 696 CG1 ILE A 334 -4.108 4.023 -4.171 1.00 0.00 C ATOM 697 CG2 ILE A 334 -4.679 6.437 -4.560 1.00 0.00 C ATOM 698 CD1 ILE A 334 -4.462 2.730 -3.470 1.00 0.00 C ATOM 0 H ILE A 334 -5.455 7.389 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 334 -4.554 4.715 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 334 -5.917 4.999 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 334 -4.323 3.920 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 334 -3.036 4.194 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 334 -5.001 6.164 -5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 334 -5.280 7.272 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 334 -3.629 6.729 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 334 -3.893 1.910 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 334 -4.220 2.813 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 334 -5.528 2.534 -3.585 1.00 0.00 H new ATOM 709 N GLY A 335 -2.077 5.006 -1.835 1.00 0.00 N ATOM 710 CA GLY A 335 -0.656 5.244 -1.830 1.00 0.00 C ATOM 711 C GLY A 335 0.123 3.955 -1.902 1.00 0.00 C ATOM 712 O GLY A 335 -0.409 2.887 -1.583 1.00 0.00 O ATOM 0 H GLY A 335 -2.354 4.060 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -0.390 5.878 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -0.381 5.786 -0.925 1.00 0.00 H new ATOM 716 N TYR A 336 1.370 4.036 -2.325 1.00 0.00 N ATOM 717 CA TYR A 336 2.208 2.855 -2.419 1.00 0.00 C ATOM 718 C TYR A 336 3.163 2.791 -1.240 1.00 0.00 C ATOM 719 O TYR A 336 3.536 3.827 -0.676 1.00 0.00 O ATOM 720 CB TYR A 336 2.971 2.811 -3.754 1.00 0.00 C ATOM 721 CG TYR A 336 4.034 3.872 -3.925 1.00 0.00 C ATOM 722 CD1 TYR A 336 3.702 5.164 -4.308 1.00 0.00 C ATOM 723 CD2 TYR A 336 5.375 3.573 -3.723 1.00 0.00 C ATOM 724 CE1 TYR A 336 4.676 6.125 -4.484 1.00 0.00 C ATOM 725 CE2 TYR A 336 6.353 4.529 -3.893 1.00 0.00 C ATOM 726 CZ TYR A 336 5.998 5.802 -4.273 1.00 0.00 C ATOM 727 OH TYR A 336 6.971 6.755 -4.459 1.00 0.00 O ATOM 0 H TYR A 336 1.824 4.904 -2.608 1.00 0.00 H new ATOM 0 HA TYR A 336 1.562 1.978 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 336 3.439 1.832 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 336 2.252 2.906 -4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 336 2.666 5.421 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 336 5.657 2.573 -3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 336 4.403 7.125 -4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 336 7.391 4.280 -3.729 1.00 0.00 H new ATOM 0 HH TYR A 336 7.850 6.367 -4.268 1.00 0.00 H new ATOM 733 N PHE A 337 3.553 1.584 -0.865 1.00 0.00 N ATOM 734 CA PHE A 337 4.411 1.385 0.292 1.00 0.00 C ATOM 735 C PHE A 337 5.229 0.097 0.168 1.00 0.00 C ATOM 736 O PHE A 337 4.807 -0.854 -0.495 1.00 0.00 O ATOM 737 CB PHE A 337 3.567 1.369 1.582 1.00 0.00 C ATOM 738 CG PHE A 337 2.416 0.382 1.572 1.00 0.00 C ATOM 739 CD1 PHE A 337 1.247 0.664 0.877 1.00 0.00 C ATOM 740 CD2 PHE A 337 2.498 -0.810 2.268 1.00 0.00 C ATOM 741 CE1 PHE A 337 0.191 -0.221 0.875 1.00 0.00 C ATOM 742 CE2 PHE A 337 1.440 -1.702 2.266 1.00 0.00 C ATOM 743 CZ PHE A 337 0.286 -1.406 1.571 1.00 0.00 C ATOM 0 H PHE A 337 3.288 0.725 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 337 5.113 2.217 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 337 4.219 1.138 2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 337 3.169 2.369 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 337 1.164 1.591 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 337 3.396 -1.047 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -0.710 0.014 0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 337 1.518 -2.632 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 337 -0.541 -2.101 1.572 1.00 0.00 H new ATOM 749 N PRO A 338 6.426 0.065 0.784 1.00 0.00 N ATOM 750 CA PRO A 338 7.293 -1.115 0.768 1.00 0.00 C ATOM 751 C PRO A 338 6.787 -2.219 1.713 1.00 0.00 C ATOM 752 O PRO A 338 6.449 -1.957 2.875 1.00 0.00 O ATOM 753 CB PRO A 338 8.641 -0.568 1.250 1.00 0.00 C ATOM 754 CG PRO A 338 8.293 0.599 2.109 1.00 0.00 C ATOM 755 CD PRO A 338 7.032 1.187 1.535 1.00 0.00 C ATOM 0 HA PRO A 338 7.336 -1.581 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 338 9.196 -1.320 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 338 9.269 -0.268 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 338 8.141 0.289 3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 338 9.098 1.334 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 338 6.367 1.548 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 338 7.247 2.034 0.884 1.00 0.00 H new ATOM 763 N PRO A 339 6.749 -3.472 1.229 1.00 0.00 N ATOM 764 CA PRO A 339 6.260 -4.623 2.007 1.00 0.00 C ATOM 765 C PRO A 339 7.078 -4.882 3.266 1.00 0.00 C ATOM 766 O PRO A 339 6.627 -5.574 4.177 1.00 0.00 O ATOM 767 CB PRO A 339 6.403 -5.803 1.041 1.00 0.00 C ATOM 768 CG PRO A 339 7.374 -5.347 0.012 1.00 0.00 C ATOM 769 CD PRO A 339 7.179 -3.868 -0.117 1.00 0.00 C ATOM 0 HA PRO A 339 5.242 -4.455 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 339 6.764 -6.693 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 339 5.445 -6.062 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 339 8.396 -5.581 0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 339 7.197 -5.848 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 339 8.100 -3.364 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 339 6.428 -3.624 -0.868 1.00 0.00 H new ATOM 777 N GLY A 340 8.274 -4.320 3.312 1.00 0.00 N ATOM 778 CA GLY A 340 9.152 -4.501 4.446 1.00 0.00 C ATOM 779 C GLY A 340 8.604 -3.919 5.742 1.00 0.00 C ATOM 780 O GLY A 340 9.056 -4.289 6.829 1.00 0.00 O ATOM 0 H GLY A 340 8.657 -3.733 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 340 9.336 -5.566 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 340 10.114 -4.037 4.228 1.00 0.00 H new ATOM 784 N ILE A 341 7.639 -3.006 5.640 1.00 0.00 N ATOM 785 CA ILE A 341 7.085 -2.373 6.835 1.00 0.00 C ATOM 786 C ILE A 341 5.670 -2.852 7.150 1.00 0.00 C ATOM 787 O ILE A 341 5.030 -2.339 8.068 1.00 0.00 O ATOM 788 CB ILE A 341 7.088 -0.827 6.733 1.00 0.00 C ATOM 789 CG1 ILE A 341 6.231 -0.356 5.555 1.00 0.00 C ATOM 790 CG2 ILE A 341 8.512 -0.305 6.607 1.00 0.00 C ATOM 791 CD1 ILE A 341 6.073 1.144 5.479 1.00 0.00 C ATOM 0 H ILE A 341 7.231 -2.693 4.759 1.00 0.00 H new ATOM 0 HA ILE A 341 7.742 -2.675 7.650 1.00 0.00 H new ATOM 0 HB ILE A 341 6.653 -0.423 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 341 6.678 -0.713 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 341 5.244 -0.813 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 341 8.496 0.783 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 341 9.088 -0.603 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 341 8.974 -0.720 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 341 5.454 1.402 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 341 5.598 1.506 6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 341 7.053 1.608 5.372 1.00 0.00 H new ATOM 802 N VAL A 342 5.183 -3.840 6.412 1.00 0.00 N ATOM 803 CA VAL A 342 3.826 -4.341 6.633 1.00 0.00 C ATOM 804 C VAL A 342 3.790 -5.857 6.705 1.00 0.00 C ATOM 805 O VAL A 342 4.724 -6.533 6.273 1.00 0.00 O ATOM 806 CB VAL A 342 2.839 -3.877 5.530 1.00 0.00 C ATOM 807 CG1 VAL A 342 2.693 -2.365 5.532 1.00 0.00 C ATOM 808 CG2 VAL A 342 3.286 -4.379 4.161 1.00 0.00 C ATOM 0 H VAL A 342 5.696 -4.308 5.664 1.00 0.00 H new ATOM 0 HA VAL A 342 3.512 -3.922 7.589 1.00 0.00 H new ATOM 0 HB VAL A 342 1.862 -4.308 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 342 1.996 -2.066 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 342 2.314 -2.037 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.664 -1.905 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 342 2.580 -4.042 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 342 4.277 -3.985 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.321 -5.468 4.167 1.00 0.00 H new ATOM 818 N GLU A 343 2.714 -6.374 7.269 1.00 0.00 N ATOM 819 CA GLU A 343 2.483 -7.805 7.352 1.00 0.00 C ATOM 820 C GLU A 343 0.995 -8.050 7.596 1.00 0.00 C ATOM 821 O GLU A 343 0.273 -7.133 7.991 1.00 0.00 O ATOM 822 CB GLU A 343 3.339 -8.438 8.467 1.00 0.00 C ATOM 823 CG GLU A 343 3.334 -9.961 8.461 1.00 0.00 C ATOM 824 CD GLU A 343 4.366 -10.562 9.386 1.00 0.00 C ATOM 825 OE1 GLU A 343 5.570 -10.518 9.050 1.00 0.00 O ATOM 826 OE2 GLU A 343 3.987 -11.102 10.442 1.00 0.00 O ATOM 0 H GLU A 343 1.972 -5.811 7.684 1.00 0.00 H new ATOM 0 HA GLU A 343 2.778 -8.276 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 343 4.366 -8.088 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 343 2.976 -8.087 9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 343 2.345 -10.316 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 343 3.515 -10.315 7.446 1.00 0.00 H new ATOM 829 N VAL A 344 0.534 -9.267 7.338 1.00 0.00 N ATOM 830 CA VAL A 344 -0.876 -9.612 7.530 1.00 0.00 C ATOM 831 C VAL A 344 -1.305 -9.486 8.996 1.00 0.00 C ATOM 832 O VAL A 344 -2.486 -9.292 9.289 1.00 0.00 O ATOM 833 CB VAL A 344 -1.196 -11.038 7.027 1.00 0.00 C ATOM 834 CG1 VAL A 344 -1.135 -11.095 5.508 1.00 0.00 C ATOM 835 CG2 VAL A 344 -0.240 -12.054 7.643 1.00 0.00 C ATOM 0 H VAL A 344 1.112 -10.034 6.995 1.00 0.00 H new ATOM 0 HA VAL A 344 -1.441 -8.894 6.936 1.00 0.00 H new ATOM 0 HB VAL A 344 -2.209 -11.292 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 344 -1.363 -12.107 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 344 -1.863 -10.401 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 344 -0.135 -10.818 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 344 -0.483 -13.051 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 344 0.784 -11.804 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 344 -0.337 -12.034 8.728 1.00 0.00 H new ATOM 845 N VAL A 345 -0.346 -9.597 9.903 1.00 0.00 N ATOM 846 CA VAL A 345 -0.611 -9.492 11.331 1.00 0.00 C ATOM 847 C VAL A 345 0.396 -8.556 11.982 1.00 0.00 C ATOM 848 O VAL A 345 1.251 -7.991 11.301 1.00 0.00 O ATOM 849 CB VAL A 345 -0.550 -10.877 12.034 1.00 0.00 C ATOM 850 CG1 VAL A 345 -1.676 -11.781 11.556 1.00 0.00 C ATOM 851 CG2 VAL A 345 0.804 -11.541 11.807 1.00 0.00 C ATOM 0 H VAL A 345 0.634 -9.762 9.672 1.00 0.00 H new ATOM 0 HA VAL A 345 -1.620 -9.095 11.446 1.00 0.00 H new ATOM 0 HB VAL A 345 -0.677 -10.715 13.104 1.00 0.00 H new ATOM 0 HG11 VAL A 345 -1.610 -12.743 12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 345 -2.636 -11.317 11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -1.590 -11.931 10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 345 0.823 -12.509 12.308 1.00 0.00 H new ATOM 0 HG22 VAL A 345 0.965 -11.683 10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 345 1.593 -10.907 12.212 1.00 0.00 H new ATOM 861 N SER A 346 0.290 -8.390 13.289 1.00 0.00 N ATOM 862 CA SER A 346 1.216 -7.545 14.023 1.00 0.00 C ATOM 863 C SER A 346 2.589 -8.215 14.105 1.00 0.00 C ATOM 864 O SER A 346 2.706 -9.433 13.916 1.00 0.00 O ATOM 865 CB SER A 346 0.678 -7.268 15.426 1.00 0.00 C ATOM 866 OG SER A 346 -0.631 -6.716 15.370 1.00 0.00 O ATOM 0 H SER A 346 -0.429 -8.830 13.864 1.00 0.00 H new ATOM 0 HA SER A 346 1.320 -6.597 13.495 1.00 0.00 H new ATOM 0 HB2 SER A 346 0.662 -8.193 16.002 1.00 0.00 H new ATOM 0 HB3 SER A 346 1.345 -6.580 15.946 1.00 0.00 H new ATOM 0 HG SER A 346 -0.955 -6.549 16.280 1.00 0.00 H new ATOM 872 N LYS A 347 3.619 -7.429 14.389 1.00 0.00 N ATOM 873 CA LYS A 347 4.978 -7.947 14.468 1.00 0.00 C ATOM 874 C LYS A 347 5.110 -8.947 15.616 1.00 0.00 C ATOM 875 O LYS A 347 5.860 -9.923 15.526 1.00 0.00 O ATOM 876 CB LYS A 347 5.978 -6.800 14.640 1.00 0.00 C ATOM 877 CG LYS A 347 7.431 -7.241 14.587 1.00 0.00 C ATOM 878 CD LYS A 347 8.383 -6.063 14.705 1.00 0.00 C ATOM 879 CE LYS A 347 8.297 -5.399 16.070 1.00 0.00 C ATOM 880 NZ LYS A 347 9.293 -4.310 16.214 1.00 0.00 N ATOM 0 H LYS A 347 3.539 -6.428 14.569 1.00 0.00 H new ATOM 0 HA LYS A 347 5.201 -8.466 13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 347 5.804 -6.059 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 347 5.792 -6.308 15.595 1.00 0.00 H new ATOM 0 HG2 LYS A 347 7.626 -7.948 15.393 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.617 -7.767 13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 347 9.404 -6.402 14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.153 -5.331 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 347 7.295 -4.997 16.217 1.00 0.00 H new ATOM 0 HE3 LYS A 347 8.458 -6.145 16.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 9.204 -3.881 17.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 10.251 -4.698 16.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 9.123 -3.586 15.487 1.00 0.00 H new ATOM 883 N ARG A 348 4.380 -8.699 16.687 1.00 0.00 N ATOM 884 CA ARG A 348 4.386 -9.573 17.840 1.00 0.00 C ATOM 885 C ARG A 348 2.997 -9.597 18.467 1.00 0.00 C ATOM 886 O ARG A 348 2.723 -8.749 19.344 1.00 0.00 O ATOM 887 CB ARG A 348 5.433 -9.102 18.864 1.00 0.00 C ATOM 888 CG ARG A 348 5.591 -10.015 20.075 1.00 0.00 C ATOM 889 CD ARG A 348 6.159 -11.375 19.693 1.00 0.00 C ATOM 890 NE ARG A 348 7.456 -11.264 19.018 1.00 0.00 N ATOM 891 CZ ARG A 348 8.618 -11.679 19.533 1.00 0.00 C ATOM 892 NH1 ARG A 348 8.672 -12.172 20.764 1.00 0.00 N ATOM 893 NH2 ARG A 348 9.730 -11.581 18.816 1.00 0.00 N ATOM 894 OXT ARG A 348 2.174 -10.439 18.054 1.00 0.00 O ATOM 0 H ARG A 348 3.769 -7.888 16.780 1.00 0.00 H new ATOM 0 HA ARG A 348 4.651 -10.582 17.524 1.00 0.00 H new ATOM 0 HB2 ARG A 348 6.397 -9.014 18.364 1.00 0.00 H new ATOM 0 HB3 ARG A 348 5.161 -8.105 19.210 1.00 0.00 H new ATOM 0 HG2 ARG A 348 6.247 -9.540 20.804 1.00 0.00 H new ATOM 0 HG3 ARG A 348 4.623 -10.149 20.557 1.00 0.00 H new ATOM 0 HD2 ARG A 348 6.269 -11.986 20.589 1.00 0.00 H new ATOM 0 HD3 ARG A 348 5.455 -11.891 19.040 1.00 0.00 H new ATOM 0 HE ARG A 348 7.473 -10.840 18.090 1.00 0.00 H new ATOM 0 HH11 ARG A 348 7.823 -12.237 21.325 1.00 0.00 H new ATOM 0 HH12 ARG A 348 9.563 -12.486 21.149 1.00 0.00 H new ATOM 0 HH21 ARG A 348 9.697 -11.190 17.875 1.00 0.00 H new ATOM 0 HH22 ARG A 348 10.618 -11.897 19.206 1.00 0.00 H new