USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 445 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 414 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 418 SER OG : rot 180:sc= 0 USER MOD Single : A 421 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 425 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.6!) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -10.6! C(o=-11!,f=-13!) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 439 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.233) USER MOD Single : A 442 SER OG : rot 5:sc= 0.38 USER MOD Single : A 446 ASN : amide:sc= -0.355 K(o=-0.35,f=-1.4) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 451 MET CE :methyl 138:sc= -0.125 (180deg=-0.479) USER MOD Single : A 453 LYS NZ :NH3+ 158:sc= -0.0483 (180deg=-0.349) USER MOD Single : A 454 HIS : no HD1:sc= -0.63 K(o=-0.63,f=-5.8!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 470 LYS NZ :NH3+ -133:sc= -0.578 (180deg=-2.02!) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 413 -16.147 1.697 16.874 1.00 0.00 N ATOM 2 CA GLY A 413 -17.332 1.025 17.372 1.00 0.00 C ATOM 3 C GLY A 413 -18.585 1.422 16.616 1.00 0.00 C ATOM 4 O GLY A 413 -18.646 1.298 15.393 1.00 0.00 O ATOM 0 HA2 GLY A 413 -17.193 -0.053 17.297 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -17.460 1.257 18.429 1.00 0.00 H new ATOM 8 N SER A 414 -19.588 1.899 17.346 1.00 0.00 N ATOM 9 CA SER A 414 -20.848 2.310 16.738 1.00 0.00 C ATOM 10 C SER A 414 -20.798 3.778 16.324 1.00 0.00 C ATOM 11 O SER A 414 -21.092 4.122 15.179 1.00 0.00 O ATOM 12 CB SER A 414 -22.007 2.082 17.710 1.00 0.00 C ATOM 13 OG SER A 414 -22.355 0.710 17.775 1.00 0.00 O ATOM 0 H SER A 414 -19.553 2.010 18.359 1.00 0.00 H new ATOM 0 HA SER A 414 -21.007 1.704 15.846 1.00 0.00 H new ATOM 0 HB2 SER A 414 -21.729 2.437 18.702 1.00 0.00 H new ATOM 0 HB3 SER A 414 -22.872 2.665 17.393 1.00 0.00 H new ATOM 0 HG SER A 414 -23.097 0.590 18.404 1.00 0.00 H new ATOM 19 N SER A 415 -20.423 4.639 17.264 1.00 0.00 N ATOM 20 CA SER A 415 -20.337 6.071 17.000 1.00 0.00 C ATOM 21 C SER A 415 -19.639 6.336 15.669 1.00 0.00 C ATOM 22 O SER A 415 -20.127 7.107 14.843 1.00 0.00 O ATOM 23 CB SER A 415 -19.587 6.776 18.132 1.00 0.00 C ATOM 24 OG SER A 415 -20.186 6.504 19.387 1.00 0.00 O ATOM 0 H SER A 415 -20.174 4.370 18.216 1.00 0.00 H new ATOM 0 HA SER A 415 -21.351 6.467 16.944 1.00 0.00 H new ATOM 0 HB2 SER A 415 -18.547 6.449 18.143 1.00 0.00 H new ATOM 0 HB3 SER A 415 -19.581 7.851 17.954 1.00 0.00 H new ATOM 0 HG SER A 415 -19.687 6.964 20.094 1.00 0.00 H new ATOM 30 N GLY A 416 -18.494 5.692 15.469 1.00 0.00 N ATOM 31 CA GLY A 416 -17.747 5.871 14.238 1.00 0.00 C ATOM 32 C GLY A 416 -16.928 4.649 13.873 1.00 0.00 C ATOM 33 O GLY A 416 -16.442 3.934 14.750 1.00 0.00 O ATOM 0 H GLY A 416 -18.070 5.049 16.138 1.00 0.00 H new ATOM 0 HA2 GLY A 416 -18.439 6.096 13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 416 -17.085 6.731 14.340 1.00 0.00 H new ATOM 37 N SER A 417 -16.776 4.406 12.576 1.00 0.00 N ATOM 38 CA SER A 417 -16.015 3.258 12.097 1.00 0.00 C ATOM 39 C SER A 417 -14.815 3.708 11.268 1.00 0.00 C ATOM 40 O SER A 417 -14.891 4.689 10.529 1.00 0.00 O ATOM 41 CB SER A 417 -16.909 2.338 11.262 1.00 0.00 C ATOM 42 OG SER A 417 -17.831 1.642 12.083 1.00 0.00 O ATOM 0 H SER A 417 -17.170 4.989 11.837 1.00 0.00 H new ATOM 0 HA SER A 417 -15.650 2.709 12.965 1.00 0.00 H new ATOM 0 HB2 SER A 417 -17.449 2.926 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 417 -16.293 1.624 10.716 1.00 0.00 H new ATOM 0 HG SER A 417 -18.392 1.062 11.526 1.00 0.00 H new ATOM 48 N SER A 418 -13.708 2.984 11.399 1.00 0.00 N ATOM 49 CA SER A 418 -12.491 3.310 10.666 1.00 0.00 C ATOM 50 C SER A 418 -12.614 2.906 9.200 1.00 0.00 C ATOM 51 O SER A 418 -13.381 2.009 8.854 1.00 0.00 O ATOM 52 CB SER A 418 -11.286 2.612 11.300 1.00 0.00 C ATOM 53 OG SER A 418 -11.225 2.864 12.693 1.00 0.00 O ATOM 0 H SER A 418 -13.629 2.168 12.006 1.00 0.00 H new ATOM 0 HA SER A 418 -12.345 4.389 10.716 1.00 0.00 H new ATOM 0 HB2 SER A 418 -11.350 1.538 11.124 1.00 0.00 H new ATOM 0 HB3 SER A 418 -10.369 2.959 10.824 1.00 0.00 H new ATOM 0 HG SER A 418 -10.447 2.406 13.075 1.00 0.00 H new ATOM 59 N GLY A 419 -11.852 3.577 8.341 1.00 0.00 N ATOM 60 CA GLY A 419 -11.890 3.275 6.923 1.00 0.00 C ATOM 61 C GLY A 419 -11.350 1.894 6.609 1.00 0.00 C ATOM 62 O GLY A 419 -11.976 0.885 6.936 1.00 0.00 O ATOM 0 H GLY A 419 -11.209 4.324 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -12.917 3.350 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -11.309 4.021 6.380 1.00 0.00 H new ATOM 66 N PHE A 420 -10.184 1.847 5.972 1.00 0.00 N ATOM 67 CA PHE A 420 -9.561 0.579 5.612 1.00 0.00 C ATOM 68 C PHE A 420 -8.634 0.094 6.722 1.00 0.00 C ATOM 69 O PHE A 420 -8.177 0.881 7.551 1.00 0.00 O ATOM 70 CB PHE A 420 -8.777 0.725 4.305 1.00 0.00 C ATOM 71 CG PHE A 420 -9.635 1.101 3.131 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.258 0.125 2.370 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.818 2.431 2.788 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.048 0.467 1.289 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.607 2.780 1.708 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.222 1.797 0.957 1.00 0.00 C ATOM 0 H PHE A 420 -9.652 2.672 5.695 1.00 0.00 H new ATOM 0 HA PHE A 420 -10.351 -0.159 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.004 1.482 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.270 -0.215 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.125 -0.916 2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.339 3.204 3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.529 -0.304 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.743 3.820 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.838 2.068 0.112 1.00 0.00 H new ATOM 86 N GLN A 421 -8.362 -1.207 6.732 1.00 0.00 N ATOM 87 CA GLN A 421 -7.490 -1.797 7.741 1.00 0.00 C ATOM 88 C GLN A 421 -6.220 -2.353 7.106 1.00 0.00 C ATOM 89 O GLN A 421 -6.238 -2.910 6.008 1.00 0.00 O ATOM 90 CB GLN A 421 -8.226 -2.907 8.494 1.00 0.00 C ATOM 91 CG GLN A 421 -9.501 -2.438 9.176 1.00 0.00 C ATOM 92 CD GLN A 421 -10.253 -3.569 9.849 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.711 -4.268 10.706 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.510 -3.757 9.463 1.00 0.00 N ATOM 0 H GLN A 421 -8.733 -1.872 6.053 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.209 -1.014 8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.471 -3.708 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.558 -3.331 9.244 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.253 -1.679 9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -10.149 -1.964 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.920 -3.154 8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -12.065 -4.504 9.880 1.00 0.00 H new ATOM 103 N PRO A 422 -5.089 -2.199 7.810 1.00 0.00 N ATOM 104 CA PRO A 422 -3.789 -2.680 7.335 1.00 0.00 C ATOM 105 C PRO A 422 -3.697 -4.202 7.335 1.00 0.00 C ATOM 106 O PRO A 422 -4.549 -4.884 7.901 1.00 0.00 O ATOM 107 CB PRO A 422 -2.801 -2.085 8.342 1.00 0.00 C ATOM 108 CG PRO A 422 -3.601 -1.882 9.582 1.00 0.00 C ATOM 109 CD PRO A 422 -4.994 -1.545 9.126 1.00 0.00 C ATOM 0 HA PRO A 422 -3.598 -2.384 6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.962 -2.758 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.385 -1.144 7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.599 -2.781 10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.184 -1.078 10.188 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.746 -1.924 9.818 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.143 -0.468 9.051 1.00 0.00 H new ATOM 117 N GLY A 423 -2.657 -4.727 6.695 1.00 0.00 N ATOM 118 CA GLY A 423 -2.473 -6.166 6.634 1.00 0.00 C ATOM 119 C GLY A 423 -3.185 -6.791 5.450 1.00 0.00 C ATOM 120 O GLY A 423 -3.055 -7.990 5.202 1.00 0.00 O ATOM 0 H GLY A 423 -1.939 -4.182 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.408 -6.391 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -2.843 -6.616 7.555 1.00 0.00 H new ATOM 124 N ASP A 424 -3.941 -5.979 4.720 1.00 0.00 N ATOM 125 CA ASP A 424 -4.677 -6.459 3.557 1.00 0.00 C ATOM 126 C ASP A 424 -3.787 -6.475 2.318 1.00 0.00 C ATOM 127 O ASP A 424 -2.812 -5.729 2.234 1.00 0.00 O ATOM 128 CB ASP A 424 -5.906 -5.583 3.306 1.00 0.00 C ATOM 129 CG ASP A 424 -7.076 -5.959 4.193 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.292 -7.170 4.409 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.776 -5.043 4.672 1.00 0.00 O ATOM 0 H ASP A 424 -4.060 -4.985 4.913 1.00 0.00 H new ATOM 0 HA ASP A 424 -5.003 -7.479 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.645 -4.539 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.203 -5.670 2.261 1.00 0.00 H new ATOM 136 N ASN A 425 -4.128 -7.330 1.360 1.00 0.00 N ATOM 137 CA ASN A 425 -3.359 -7.444 0.126 1.00 0.00 C ATOM 138 C ASN A 425 -3.841 -6.434 -0.911 1.00 0.00 C ATOM 139 O ASN A 425 -4.970 -6.517 -1.395 1.00 0.00 O ATOM 140 CB ASN A 425 -3.466 -8.862 -0.437 1.00 0.00 C ATOM 141 CG ASN A 425 -4.905 -9.302 -0.626 1.00 0.00 C ATOM 142 OD1 ASN A 425 -5.838 -8.554 -0.332 1.00 0.00 O ATOM 143 ND2 ASN A 425 -5.092 -10.520 -1.119 1.00 0.00 N ATOM 0 H ASN A 425 -4.932 -7.955 1.414 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.315 -7.230 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.946 -8.910 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.962 -9.556 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -6.038 -10.870 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.289 -11.106 -1.349 1.00 0.00 H new ATOM 150 N VAL A 426 -2.977 -5.481 -1.247 1.00 0.00 N ATOM 151 CA VAL A 426 -3.314 -4.456 -2.228 1.00 0.00 C ATOM 152 C VAL A 426 -2.243 -4.358 -3.309 1.00 0.00 C ATOM 153 O VAL A 426 -1.130 -4.855 -3.141 1.00 0.00 O ATOM 154 CB VAL A 426 -3.485 -3.078 -1.563 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.726 -3.059 -0.684 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.246 -2.718 -0.757 1.00 0.00 C ATOM 0 H VAL A 426 -2.039 -5.398 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.260 -4.751 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.612 -2.330 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.830 -2.077 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.606 -3.269 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.633 -3.817 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.384 -1.741 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.086 -3.467 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.379 -2.687 -1.417 1.00 0.00 H new ATOM 166 N GLU A 427 -2.588 -3.712 -4.419 1.00 0.00 N ATOM 167 CA GLU A 427 -1.656 -3.548 -5.528 1.00 0.00 C ATOM 168 C GLU A 427 -1.889 -2.221 -6.244 1.00 0.00 C ATOM 169 O GLU A 427 -3.030 -1.820 -6.474 1.00 0.00 O ATOM 170 CB GLU A 427 -1.798 -4.706 -6.518 1.00 0.00 C ATOM 171 CG GLU A 427 -1.150 -4.438 -7.866 1.00 0.00 C ATOM 172 CD GLU A 427 -2.097 -3.774 -8.846 1.00 0.00 C ATOM 173 OE1 GLU A 427 -3.145 -3.259 -8.404 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.790 -3.771 -10.057 1.00 0.00 O ATOM 0 H GLU A 427 -3.506 -3.294 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.645 -3.549 -5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.354 -5.601 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.857 -4.916 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.275 -3.803 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -0.796 -5.379 -8.288 1.00 0.00 H new ATOM 181 N VAL A 428 -0.800 -1.544 -6.593 1.00 0.00 N ATOM 182 CA VAL A 428 -0.884 -0.263 -7.283 1.00 0.00 C ATOM 183 C VAL A 428 -1.546 -0.416 -8.648 1.00 0.00 C ATOM 184 O VAL A 428 -1.303 -1.391 -9.360 1.00 0.00 O ATOM 185 CB VAL A 428 0.509 0.368 -7.467 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.392 1.742 -8.109 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.235 0.454 -6.134 1.00 0.00 C ATOM 0 H VAL A 428 0.152 -1.862 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.492 0.393 -6.660 1.00 0.00 H new ATOM 0 HB VAL A 428 1.092 -0.269 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.386 2.172 -8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.085 1.648 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.209 2.391 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.217 0.902 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.657 1.068 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.352 -0.547 -5.718 1.00 0.00 H new ATOM 197 N CYS A 429 -2.381 0.552 -9.006 1.00 0.00 N ATOM 198 CA CYS A 429 -3.079 0.525 -10.287 1.00 0.00 C ATOM 199 C CYS A 429 -2.348 1.373 -11.322 1.00 0.00 C ATOM 200 O CYS A 429 -2.301 1.025 -12.502 1.00 0.00 O ATOM 201 CB CYS A 429 -4.514 1.027 -10.120 1.00 0.00 C ATOM 202 SG CYS A 429 -5.655 0.438 -11.393 1.00 0.00 S ATOM 0 H CYS A 429 -2.592 1.366 -8.428 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.101 -0.506 -10.639 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -4.885 0.717 -9.143 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.509 2.117 -10.128 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.843 0.914 -11.165 1.00 0.00 H new ATOM 208 N GLU A 430 -1.779 2.487 -10.873 1.00 0.00 N ATOM 209 CA GLU A 430 -1.052 3.386 -11.762 1.00 0.00 C ATOM 210 C GLU A 430 0.154 3.995 -11.053 1.00 0.00 C ATOM 211 O GLU A 430 0.270 3.924 -9.830 1.00 0.00 O ATOM 212 CB GLU A 430 -1.975 4.497 -12.267 1.00 0.00 C ATOM 213 CG GLU A 430 -1.401 5.281 -13.435 1.00 0.00 C ATOM 214 CD GLU A 430 -2.429 6.180 -14.094 1.00 0.00 C ATOM 215 OE1 GLU A 430 -3.525 5.683 -14.427 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.137 7.380 -14.279 1.00 0.00 O ATOM 0 H GLU A 430 -1.807 2.789 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.696 2.804 -12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -2.927 4.059 -12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.185 5.184 -11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -0.565 5.887 -13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.004 4.586 -14.175 1.00 0.00 H new ATOM 223 N GLY A 431 1.051 4.593 -11.831 1.00 0.00 N ATOM 224 CA GLY A 431 2.237 5.206 -11.261 1.00 0.00 C ATOM 225 C GLY A 431 3.474 4.347 -11.436 1.00 0.00 C ATOM 226 O GLY A 431 3.373 3.135 -11.625 1.00 0.00 O ATOM 0 H GLY A 431 0.978 4.664 -12.846 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.402 6.176 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.073 5.390 -10.199 1.00 0.00 H new ATOM 230 N GLU A 432 4.643 4.977 -11.375 1.00 0.00 N ATOM 231 CA GLU A 432 5.904 4.261 -11.531 1.00 0.00 C ATOM 232 C GLU A 432 5.893 2.959 -10.735 1.00 0.00 C ATOM 233 O GLU A 432 6.505 1.968 -11.135 1.00 0.00 O ATOM 234 CB GLU A 432 7.073 5.139 -11.078 1.00 0.00 C ATOM 235 CG GLU A 432 8.390 4.794 -11.753 1.00 0.00 C ATOM 236 CD GLU A 432 9.394 5.928 -11.687 1.00 0.00 C ATOM 237 OE1 GLU A 432 9.577 6.495 -10.589 1.00 0.00 O ATOM 238 OE2 GLU A 432 9.997 6.249 -12.733 1.00 0.00 O ATOM 0 H GLU A 432 4.743 5.980 -11.219 1.00 0.00 H new ATOM 0 HA GLU A 432 6.027 4.020 -12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.833 6.183 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.191 5.043 -9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.816 3.909 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 432 8.203 4.539 -12.796 1.00 0.00 H new ATOM 245 N LEU A 433 5.194 2.969 -9.605 1.00 0.00 N ATOM 246 CA LEU A 433 5.103 1.790 -8.752 1.00 0.00 C ATOM 247 C LEU A 433 3.994 0.857 -9.228 1.00 0.00 C ATOM 248 O LEU A 433 3.443 0.082 -8.445 1.00 0.00 O ATOM 249 CB LEU A 433 4.849 2.205 -7.301 1.00 0.00 C ATOM 250 CG LEU A 433 5.912 3.100 -6.663 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.342 3.827 -5.455 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.132 2.281 -6.268 1.00 0.00 C ATOM 0 H LEU A 433 4.682 3.781 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 433 6.051 1.256 -8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.891 2.723 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.753 1.302 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 433 6.221 3.844 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.113 4.459 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.500 4.445 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.004 3.099 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.878 2.934 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.839 1.514 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.554 1.807 -7.154 1.00 0.00 H new ATOM 264 N ILE A 434 3.673 0.936 -10.515 1.00 0.00 N ATOM 265 CA ILE A 434 2.633 0.097 -11.095 1.00 0.00 C ATOM 266 C ILE A 434 2.967 -1.382 -10.936 1.00 0.00 C ATOM 267 O ILE A 434 4.106 -1.743 -10.643 1.00 0.00 O ATOM 268 CB ILE A 434 2.427 0.408 -12.589 1.00 0.00 C ATOM 269 CG1 ILE A 434 1.264 -0.414 -13.148 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.703 0.128 -13.369 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.746 0.096 -14.475 1.00 0.00 C ATOM 0 H ILE A 434 4.119 1.573 -11.176 1.00 0.00 H new ATOM 0 HA ILE A 434 1.712 0.318 -10.556 1.00 0.00 H new ATOM 0 HB ILE A 434 2.184 1.465 -12.695 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.585 -1.449 -13.266 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.449 -0.414 -12.425 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.542 0.353 -14.423 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.509 0.753 -12.984 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.974 -0.922 -13.259 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.077 -0.535 -14.811 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.394 1.121 -14.358 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.548 0.069 -15.213 1.00 0.00 H new ATOM 283 N ASN A 435 1.967 -2.234 -11.134 1.00 0.00 N ATOM 284 CA ASN A 435 2.155 -3.675 -11.014 1.00 0.00 C ATOM 285 C ASN A 435 2.955 -4.017 -9.761 1.00 0.00 C ATOM 286 O ASN A 435 3.731 -4.974 -9.748 1.00 0.00 O ATOM 287 CB ASN A 435 2.868 -4.222 -12.253 1.00 0.00 C ATOM 288 CG ASN A 435 4.080 -3.395 -12.635 1.00 0.00 C ATOM 289 OD1 ASN A 435 3.984 -2.471 -13.443 1.00 0.00 O ATOM 290 ND2 ASN A 435 5.228 -3.724 -12.055 1.00 0.00 N ATOM 0 H ASN A 435 1.018 -1.952 -11.378 1.00 0.00 H new ATOM 0 HA ASN A 435 1.172 -4.139 -10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.177 -5.250 -12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 435 2.170 -4.246 -13.090 1.00 0.00 H new ATOM 0 HD21 ASN A 435 6.077 -3.203 -12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 435 5.261 -4.498 -11.391 1.00 0.00 H new ATOM 297 N LEU A 436 2.761 -3.230 -8.709 1.00 0.00 N ATOM 298 CA LEU A 436 3.463 -3.449 -7.449 1.00 0.00 C ATOM 299 C LEU A 436 2.503 -3.934 -6.368 1.00 0.00 C ATOM 300 O LEU A 436 1.650 -3.181 -5.899 1.00 0.00 O ATOM 301 CB LEU A 436 4.151 -2.160 -6.996 1.00 0.00 C ATOM 302 CG LEU A 436 4.989 -2.259 -5.720 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.145 -3.228 -5.915 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.504 -0.887 -5.312 1.00 0.00 C ATOM 0 H LEU A 436 2.123 -2.434 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 436 4.217 -4.219 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.795 -1.812 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.387 -1.397 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 436 4.354 -2.639 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.730 -3.286 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.754 -4.216 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.780 -2.878 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.098 -0.977 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 436 6.123 -0.478 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.660 -0.221 -5.130 1.00 0.00 H new ATOM 316 N GLN A 437 2.651 -5.195 -5.975 1.00 0.00 N ATOM 317 CA GLN A 437 1.798 -5.780 -4.948 1.00 0.00 C ATOM 318 C GLN A 437 2.505 -5.795 -3.597 1.00 0.00 C ATOM 319 O GLN A 437 3.733 -5.825 -3.528 1.00 0.00 O ATOM 320 CB GLN A 437 1.392 -7.202 -5.340 1.00 0.00 C ATOM 321 CG GLN A 437 2.569 -8.151 -5.490 1.00 0.00 C ATOM 322 CD GLN A 437 2.217 -9.397 -6.279 1.00 0.00 C ATOM 323 OE1 GLN A 437 1.681 -9.315 -7.384 1.00 0.00 O ATOM 324 NE2 GLN A 437 2.518 -10.561 -5.714 1.00 0.00 N ATOM 0 H GLN A 437 3.354 -5.831 -6.352 1.00 0.00 H new ATOM 0 HA GLN A 437 0.902 -5.165 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.711 -7.597 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.842 -7.168 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.389 -7.631 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 437 2.926 -8.440 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 437 2.962 -10.583 -4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.305 -11.433 -6.198 1.00 0.00 H new ATOM 333 N GLY A 438 1.721 -5.774 -2.523 1.00 0.00 N ATOM 334 CA GLY A 438 2.291 -5.786 -1.188 1.00 0.00 C ATOM 335 C GLY A 438 1.231 -5.830 -0.106 1.00 0.00 C ATOM 336 O GLY A 438 0.034 -5.804 -0.396 1.00 0.00 O ATOM 0 H GLY A 438 0.702 -5.749 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.948 -6.650 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.908 -4.898 -1.052 1.00 0.00 H new ATOM 340 N LYS A 439 1.669 -5.899 1.147 1.00 0.00 N ATOM 341 CA LYS A 439 0.750 -5.948 2.278 1.00 0.00 C ATOM 342 C LYS A 439 0.710 -4.607 3.005 1.00 0.00 C ATOM 343 O LYS A 439 1.740 -3.955 3.180 1.00 0.00 O ATOM 344 CB LYS A 439 1.163 -7.055 3.250 1.00 0.00 C ATOM 345 CG LYS A 439 -0.006 -7.680 3.992 1.00 0.00 C ATOM 346 CD LYS A 439 0.322 -9.085 4.467 1.00 0.00 C ATOM 347 CE LYS A 439 1.168 -9.063 5.731 1.00 0.00 C ATOM 348 NZ LYS A 439 0.343 -8.825 6.948 1.00 0.00 N ATOM 0 H LYS A 439 2.656 -5.922 1.405 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.247 -6.164 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 439 1.690 -7.833 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.866 -6.646 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.269 -7.058 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.878 -7.710 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -0.602 -9.631 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 439 0.854 -9.621 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 439 1.697 -10.011 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 439 1.925 -8.283 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 0.850 -9.176 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 0.165 -7.806 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -0.563 -9.327 6.857 1.00 0.00 H new ATOM 362 N ILE A 440 -0.483 -4.203 3.427 1.00 0.00 N ATOM 363 CA ILE A 440 -0.655 -2.942 4.137 1.00 0.00 C ATOM 364 C ILE A 440 -0.166 -3.052 5.578 1.00 0.00 C ATOM 365 O ILE A 440 -0.207 -4.126 6.179 1.00 0.00 O ATOM 366 CB ILE A 440 -2.128 -2.493 4.139 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.705 -2.555 2.723 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.253 -1.088 4.707 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.203 -2.354 2.672 1.00 0.00 C ATOM 0 H ILE A 440 -1.345 -4.731 3.290 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.058 -2.198 3.609 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.698 -3.172 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.223 -1.794 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.461 -3.521 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.300 -0.785 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -1.877 -1.074 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.672 -0.396 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.543 -2.410 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.694 -3.130 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.453 -1.376 3.083 1.00 0.00 H new ATOM 381 N LEU A 441 0.294 -1.933 6.127 1.00 0.00 N ATOM 382 CA LEU A 441 0.789 -1.902 7.499 1.00 0.00 C ATOM 383 C LEU A 441 -0.107 -1.039 8.381 1.00 0.00 C ATOM 384 O LEU A 441 -0.464 -1.431 9.492 1.00 0.00 O ATOM 385 CB LEU A 441 2.223 -1.370 7.532 1.00 0.00 C ATOM 386 CG LEU A 441 3.330 -2.417 7.408 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.683 -1.745 7.230 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.342 -3.328 8.626 1.00 0.00 C ATOM 0 H LEU A 441 0.335 -1.036 5.644 1.00 0.00 H new ATOM 0 HA LEU A 441 0.777 -2.920 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.340 -0.649 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.367 -0.827 8.466 1.00 0.00 H new ATOM 0 HG LEU A 441 3.130 -3.026 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.459 -2.506 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.670 -1.135 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.891 -1.111 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.136 -4.067 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.516 -2.734 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.382 -3.837 8.709 1.00 0.00 H new ATOM 400 N SER A 442 -0.468 0.138 7.878 1.00 0.00 N ATOM 401 CA SER A 442 -1.321 1.058 8.622 1.00 0.00 C ATOM 402 C SER A 442 -2.092 1.970 7.673 1.00 0.00 C ATOM 403 O SER A 442 -1.769 2.070 6.489 1.00 0.00 O ATOM 404 CB SER A 442 -0.482 1.898 9.586 1.00 0.00 C ATOM 405 OG SER A 442 0.041 1.101 10.635 1.00 0.00 O ATOM 0 H SER A 442 -0.183 0.477 6.959 1.00 0.00 H new ATOM 0 HA SER A 442 -2.037 0.469 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.336 2.372 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.094 2.698 10.003 1.00 0.00 H new ATOM 0 HG SER A 442 -0.182 0.160 10.473 1.00 0.00 H new ATOM 411 N VAL A 443 -3.115 2.634 8.202 1.00 0.00 N ATOM 412 CA VAL A 443 -3.934 3.539 7.404 1.00 0.00 C ATOM 413 C VAL A 443 -3.989 4.927 8.032 1.00 0.00 C ATOM 414 O VAL A 443 -4.543 5.107 9.117 1.00 0.00 O ATOM 415 CB VAL A 443 -5.369 3.003 7.241 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.232 4.007 6.493 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.357 1.660 6.528 1.00 0.00 C ATOM 0 H VAL A 443 -3.396 2.562 9.180 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.467 3.606 6.422 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.800 2.858 8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.242 3.611 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.266 4.944 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.808 4.187 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.379 1.296 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.908 1.776 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.776 0.945 7.110 1.00 0.00 H new ATOM 427 N ASP A 444 -3.414 5.906 7.342 1.00 0.00 N ATOM 428 CA ASP A 444 -3.399 7.280 7.831 1.00 0.00 C ATOM 429 C ASP A 444 -4.250 8.182 6.943 1.00 0.00 C ATOM 430 O ASP A 444 -3.733 8.872 6.066 1.00 0.00 O ATOM 431 CB ASP A 444 -1.964 7.807 7.890 1.00 0.00 C ATOM 432 CG ASP A 444 -1.208 7.295 9.100 1.00 0.00 C ATOM 433 OD1 ASP A 444 -0.951 6.075 9.166 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.873 8.114 9.981 1.00 0.00 O ATOM 0 H ASP A 444 -2.952 5.774 6.442 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.822 7.287 8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.435 7.513 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.981 8.897 7.910 1.00 0.00 H new ATOM 439 N GLY A 445 -5.559 8.170 7.177 1.00 0.00 N ATOM 440 CA GLY A 445 -6.461 8.990 6.390 1.00 0.00 C ATOM 441 C GLY A 445 -6.271 8.793 4.899 1.00 0.00 C ATOM 442 O GLY A 445 -6.761 7.820 4.327 1.00 0.00 O ATOM 0 H GLY A 445 -6.011 7.607 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.491 8.751 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.303 10.040 6.638 1.00 0.00 H new ATOM 446 N ASN A 446 -5.558 9.720 4.267 1.00 0.00 N ATOM 447 CA ASN A 446 -5.306 9.645 2.833 1.00 0.00 C ATOM 448 C ASN A 446 -4.029 8.862 2.545 1.00 0.00 C ATOM 449 O ASN A 446 -3.926 8.171 1.531 1.00 0.00 O ATOM 450 CB ASN A 446 -5.201 11.051 2.238 1.00 0.00 C ATOM 451 CG ASN A 446 -4.001 11.813 2.765 1.00 0.00 C ATOM 452 OD1 ASN A 446 -3.993 12.266 3.910 1.00 0.00 O ATOM 453 ND2 ASN A 446 -2.979 11.958 1.930 1.00 0.00 N ATOM 0 H ASN A 446 -5.145 10.532 4.726 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.143 9.123 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -5.134 10.979 1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.110 11.608 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -2.144 12.462 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -3.029 11.566 0.990 1.00 0.00 H new ATOM 460 N LYS A 447 -3.057 8.974 3.444 1.00 0.00 N ATOM 461 CA LYS A 447 -1.786 8.276 3.289 1.00 0.00 C ATOM 462 C LYS A 447 -1.872 6.860 3.849 1.00 0.00 C ATOM 463 O LYS A 447 -2.324 6.654 4.976 1.00 0.00 O ATOM 464 CB LYS A 447 -0.668 9.048 3.993 1.00 0.00 C ATOM 465 CG LYS A 447 -0.350 10.384 3.346 1.00 0.00 C ATOM 466 CD LYS A 447 0.930 10.984 3.904 1.00 0.00 C ATOM 467 CE LYS A 447 1.383 12.187 3.091 1.00 0.00 C ATOM 468 NZ LYS A 447 2.768 12.605 3.444 1.00 0.00 N ATOM 0 H LYS A 447 -3.125 9.542 4.288 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.561 8.214 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.952 9.216 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.234 8.436 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.252 10.253 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.178 11.074 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.771 11.283 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.716 10.229 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.336 11.946 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.699 13.018 3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 3.040 13.428 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.808 12.859 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.425 11.821 3.259 1.00 0.00 H new ATOM 482 N ILE A 448 -1.434 5.888 3.056 1.00 0.00 N ATOM 483 CA ILE A 448 -1.459 4.492 3.474 1.00 0.00 C ATOM 484 C ILE A 448 -0.057 3.893 3.476 1.00 0.00 C ATOM 485 O ILE A 448 0.458 3.486 2.434 1.00 0.00 O ATOM 486 CB ILE A 448 -2.365 3.646 2.560 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.753 4.282 2.451 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.469 2.223 3.087 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.518 4.290 3.755 1.00 0.00 C ATOM 0 H ILE A 448 -1.058 6.042 2.121 1.00 0.00 H new ATOM 0 HA ILE A 448 -1.861 4.474 4.487 1.00 0.00 H new ATOM 0 HB ILE A 448 -1.922 3.612 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.647 5.307 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.333 3.743 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.113 1.638 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.477 1.773 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -2.892 2.237 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.492 4.755 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -4.655 3.266 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -3.959 4.854 4.501 1.00 0.00 H new ATOM 501 N THR A 449 0.558 3.841 4.654 1.00 0.00 N ATOM 502 CA THR A 449 1.900 3.291 4.792 1.00 0.00 C ATOM 503 C THR A 449 1.886 1.771 4.679 1.00 0.00 C ATOM 504 O THR A 449 1.317 1.082 5.525 1.00 0.00 O ATOM 505 CB THR A 449 2.534 3.689 6.138 1.00 0.00 C ATOM 506 OG1 THR A 449 2.541 5.114 6.275 1.00 0.00 O ATOM 507 CG2 THR A 449 3.955 3.157 6.245 1.00 0.00 C ATOM 0 H THR A 449 0.147 4.174 5.526 1.00 0.00 H new ATOM 0 HA THR A 449 2.497 3.707 3.980 1.00 0.00 H new ATOM 0 HB THR A 449 1.938 3.251 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.944 5.358 7.134 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.382 3.451 7.204 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.943 2.070 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.560 3.569 5.437 1.00 0.00 H new ATOM 515 N ILE A 450 2.517 1.255 3.629 1.00 0.00 N ATOM 516 CA ILE A 450 2.578 -0.184 3.407 1.00 0.00 C ATOM 517 C ILE A 450 3.993 -0.625 3.047 1.00 0.00 C ATOM 518 O ILE A 450 4.897 0.200 2.916 1.00 0.00 O ATOM 519 CB ILE A 450 1.615 -0.623 2.288 1.00 0.00 C ATOM 520 CG1 ILE A 450 2.131 -0.152 0.927 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.218 -0.079 2.548 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.463 -0.838 -0.243 1.00 0.00 C ATOM 0 H ILE A 450 2.993 1.812 2.919 1.00 0.00 H new ATOM 0 HA ILE A 450 2.278 -0.660 4.340 1.00 0.00 H new ATOM 0 HB ILE A 450 1.564 -1.712 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.978 0.924 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.206 -0.327 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.451 -0.398 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.149 -0.459 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.252 1.010 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.878 -0.455 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.637 -1.912 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.391 -0.642 -0.216 1.00 0.00 H new ATOM 534 N MET A 451 4.177 -1.931 2.886 1.00 0.00 N ATOM 535 CA MET A 451 5.481 -2.482 2.537 1.00 0.00 C ATOM 536 C MET A 451 5.408 -3.269 1.232 1.00 0.00 C ATOM 537 O MET A 451 4.857 -4.368 1.172 1.00 0.00 O ATOM 538 CB MET A 451 5.995 -3.383 3.661 1.00 0.00 C ATOM 539 CG MET A 451 7.512 -3.471 3.724 1.00 0.00 C ATOM 540 SD MET A 451 8.199 -4.543 2.448 1.00 0.00 S ATOM 541 CE MET A 451 9.611 -3.577 1.919 1.00 0.00 C ATOM 0 H MET A 451 3.439 -2.628 2.992 1.00 0.00 H new ATOM 0 HA MET A 451 6.174 -1.651 2.401 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.621 -3.010 4.614 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.586 -4.385 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.935 -2.472 3.620 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.810 -3.843 4.704 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.469 -4.234 1.777 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.378 -3.076 0.979 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.847 -2.832 2.679 1.00 0.00 H new ATOM 551 N PRO A 452 5.976 -2.695 0.161 1.00 0.00 N ATOM 552 CA PRO A 452 5.988 -3.325 -1.162 1.00 0.00 C ATOM 553 C PRO A 452 6.897 -4.548 -1.213 1.00 0.00 C ATOM 554 O PRO A 452 8.038 -4.507 -0.751 1.00 0.00 O ATOM 555 CB PRO A 452 6.524 -2.221 -2.077 1.00 0.00 C ATOM 556 CG PRO A 452 7.331 -1.346 -1.181 1.00 0.00 C ATOM 557 CD PRO A 452 6.650 -1.386 0.159 1.00 0.00 C ATOM 0 HA PRO A 452 5.002 -3.692 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.133 -2.634 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.711 -1.666 -2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.358 -1.704 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.375 -0.327 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.366 -1.302 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.939 -0.568 0.273 1.00 0.00 H new ATOM 565 N LYS A 453 6.386 -5.637 -1.778 1.00 0.00 N ATOM 566 CA LYS A 453 7.152 -6.872 -1.892 1.00 0.00 C ATOM 567 C LYS A 453 8.188 -6.769 -3.007 1.00 0.00 C ATOM 568 O LYS A 453 7.960 -7.234 -4.124 1.00 0.00 O ATOM 569 CB LYS A 453 6.217 -8.054 -2.157 1.00 0.00 C ATOM 570 CG LYS A 453 5.411 -8.476 -0.942 1.00 0.00 C ATOM 571 CD LYS A 453 5.025 -9.945 -1.011 1.00 0.00 C ATOM 572 CE LYS A 453 6.120 -10.836 -0.444 1.00 0.00 C ATOM 573 NZ LYS A 453 6.267 -10.665 1.028 1.00 0.00 N ATOM 0 H LYS A 453 5.443 -5.689 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 453 7.674 -7.034 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.532 -7.791 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.807 -8.902 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.992 -8.294 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.511 -7.865 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 453 4.100 -10.106 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 453 4.828 -10.222 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.892 -11.878 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 453 7.066 -10.604 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 6.724 -11.508 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 6.851 -9.827 1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.328 -10.541 1.459 1.00 0.00 H new ATOM 587 N HIS A 454 9.327 -6.159 -2.696 1.00 0.00 N ATOM 588 CA HIS A 454 10.399 -5.998 -3.672 1.00 0.00 C ATOM 589 C HIS A 454 11.755 -5.900 -2.979 1.00 0.00 C ATOM 590 O HIS A 454 11.932 -5.111 -2.051 1.00 0.00 O ATOM 591 CB HIS A 454 10.158 -4.751 -4.524 1.00 0.00 C ATOM 592 CG HIS A 454 10.955 -4.729 -5.792 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.166 -5.374 -5.931 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.707 -4.137 -6.984 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.629 -5.177 -7.153 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.762 -4.430 -7.812 1.00 0.00 N ATOM 0 H HIS A 454 9.532 -5.768 -1.776 1.00 0.00 H new ATOM 0 HA HIS A 454 10.403 -6.876 -4.318 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.098 -4.688 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.402 -3.866 -3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.840 -3.544 -7.237 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.559 -5.562 -7.546 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.860 -4.121 -8.779 1.00 0.00 H new ATOM 604 N GLU A 455 12.707 -6.707 -3.436 1.00 0.00 N ATOM 605 CA GLU A 455 14.046 -6.712 -2.858 1.00 0.00 C ATOM 606 C GLU A 455 14.622 -5.299 -2.809 1.00 0.00 C ATOM 607 O GLU A 455 15.145 -4.866 -1.782 1.00 0.00 O ATOM 608 CB GLU A 455 14.971 -7.624 -3.665 1.00 0.00 C ATOM 609 CG GLU A 455 16.326 -7.847 -3.014 1.00 0.00 C ATOM 610 CD GLU A 455 17.351 -8.411 -3.979 1.00 0.00 C ATOM 611 OE1 GLU A 455 17.032 -9.400 -4.672 1.00 0.00 O ATOM 612 OE2 GLU A 455 18.472 -7.864 -4.041 1.00 0.00 O ATOM 0 H GLU A 455 12.576 -7.365 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 455 13.973 -7.092 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.483 -8.588 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.120 -7.193 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 455 16.692 -6.902 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 455 16.212 -8.529 -2.171 1.00 0.00 H new ATOM 619 N ASP A 456 14.523 -4.588 -3.926 1.00 0.00 N ATOM 620 CA ASP A 456 15.034 -3.224 -4.012 1.00 0.00 C ATOM 621 C ASP A 456 14.425 -2.346 -2.923 1.00 0.00 C ATOM 622 O ASP A 456 15.138 -1.798 -2.081 1.00 0.00 O ATOM 623 CB ASP A 456 14.735 -2.631 -5.390 1.00 0.00 C ATOM 624 CG ASP A 456 15.652 -1.474 -5.733 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.823 -1.729 -6.083 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.199 -0.312 -5.651 1.00 0.00 O ATOM 0 H ASP A 456 14.094 -4.933 -4.785 1.00 0.00 H new ATOM 0 HA ASP A 456 16.114 -3.256 -3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 456 14.837 -3.409 -6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.700 -2.291 -5.419 1.00 0.00 H new ATOM 631 N LEU A 457 13.103 -2.216 -2.946 1.00 0.00 N ATOM 632 CA LEU A 457 12.397 -1.404 -1.961 1.00 0.00 C ATOM 633 C LEU A 457 12.347 -2.108 -0.609 1.00 0.00 C ATOM 634 O LEU A 457 11.588 -3.058 -0.419 1.00 0.00 O ATOM 635 CB LEU A 457 10.977 -1.101 -2.444 1.00 0.00 C ATOM 636 CG LEU A 457 10.865 -0.241 -3.703 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.419 -0.154 -4.164 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.431 1.149 -3.451 1.00 0.00 C ATOM 0 H LEU A 457 12.499 -2.662 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 457 12.942 -0.467 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 457 10.468 -2.047 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 457 10.440 -0.601 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 457 11.449 -0.712 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.360 0.462 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.047 -1.154 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 457 8.812 0.293 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.343 1.748 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.875 1.628 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.481 1.069 -3.170 1.00 0.00 H new ATOM 650 N LYS A 458 13.161 -1.634 0.329 1.00 0.00 N ATOM 651 CA LYS A 458 13.208 -2.215 1.665 1.00 0.00 C ATOM 652 C LYS A 458 12.483 -1.327 2.671 1.00 0.00 C ATOM 653 O LYS A 458 11.919 -1.814 3.651 1.00 0.00 O ATOM 654 CB LYS A 458 14.660 -2.419 2.104 1.00 0.00 C ATOM 655 CG LYS A 458 15.456 -1.128 2.192 1.00 0.00 C ATOM 656 CD LYS A 458 16.939 -1.372 1.972 1.00 0.00 C ATOM 657 CE LYS A 458 17.684 -0.072 1.705 1.00 0.00 C ATOM 658 NZ LYS A 458 19.134 -0.188 2.025 1.00 0.00 N ATOM 0 H LYS A 458 13.797 -0.849 0.188 1.00 0.00 H new ATOM 0 HA LYS A 458 12.705 -3.181 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 458 14.671 -2.910 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.152 -3.092 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.088 -0.421 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 458 15.303 -0.671 3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 458 17.362 -1.862 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.076 -2.051 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.564 0.207 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 458 17.244 0.728 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.606 0.718 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 19.249 -0.429 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 19.560 -0.934 1.439 1.00 0.00 H new ATOM 672 N ASP A 459 12.499 -0.022 2.420 1.00 0.00 N ATOM 673 CA ASP A 459 11.840 0.934 3.303 1.00 0.00 C ATOM 674 C ASP A 459 10.335 0.954 3.055 1.00 0.00 C ATOM 675 O ASP A 459 9.857 0.458 2.035 1.00 0.00 O ATOM 676 CB ASP A 459 12.422 2.334 3.098 1.00 0.00 C ATOM 677 CG ASP A 459 11.880 3.009 1.854 1.00 0.00 C ATOM 678 OD1 ASP A 459 11.760 2.329 0.813 1.00 0.00 O ATOM 679 OD2 ASP A 459 11.575 4.218 1.920 1.00 0.00 O ATOM 0 H ASP A 459 12.961 0.398 1.613 1.00 0.00 H new ATOM 0 HA ASP A 459 12.016 0.623 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.197 2.949 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.508 2.266 3.028 1.00 0.00 H new ATOM 684 N MET A 460 9.593 1.529 3.996 1.00 0.00 N ATOM 685 CA MET A 460 8.142 1.613 3.879 1.00 0.00 C ATOM 686 C MET A 460 7.735 2.781 2.986 1.00 0.00 C ATOM 687 O MET A 460 8.382 3.829 2.984 1.00 0.00 O ATOM 688 CB MET A 460 7.506 1.767 5.262 1.00 0.00 C ATOM 689 CG MET A 460 7.433 0.467 6.046 1.00 0.00 C ATOM 690 SD MET A 460 6.841 0.705 7.733 1.00 0.00 S ATOM 691 CE MET A 460 8.390 0.900 8.611 1.00 0.00 C ATOM 0 H MET A 460 9.972 1.943 4.847 1.00 0.00 H new ATOM 0 HA MET A 460 7.785 0.689 3.423 1.00 0.00 H new ATOM 0 HB2 MET A 460 8.077 2.496 5.836 1.00 0.00 H new ATOM 0 HB3 MET A 460 6.500 2.169 5.147 1.00 0.00 H new ATOM 0 HG2 MET A 460 6.773 -0.228 5.528 1.00 0.00 H new ATOM 0 HG3 MET A 460 8.421 0.008 6.073 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.190 1.056 9.671 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.996 0.003 8.484 1.00 0.00 H new ATOM 0 HE3 MET A 460 8.928 1.760 8.213 1.00 0.00 H new ATOM 701 N LEU A 461 6.660 2.594 2.229 1.00 0.00 N ATOM 702 CA LEU A 461 6.167 3.632 1.331 1.00 0.00 C ATOM 703 C LEU A 461 4.723 3.997 1.661 1.00 0.00 C ATOM 704 O LEU A 461 3.965 3.170 2.166 1.00 0.00 O ATOM 705 CB LEU A 461 6.268 3.167 -0.123 1.00 0.00 C ATOM 706 CG LEU A 461 7.683 2.996 -0.676 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.305 1.707 -0.162 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.666 3.012 -2.198 1.00 0.00 C ATOM 0 H LEU A 461 6.113 1.733 2.219 1.00 0.00 H new ATOM 0 HA LEU A 461 6.786 4.519 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.746 2.215 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.738 3.884 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 461 8.291 3.832 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.312 1.602 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.352 1.735 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.697 0.859 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.681 2.889 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.042 2.196 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.262 3.962 -2.547 1.00 0.00 H new ATOM 720 N GLU A 462 4.351 5.239 1.369 1.00 0.00 N ATOM 721 CA GLU A 462 2.997 5.712 1.634 1.00 0.00 C ATOM 722 C GLU A 462 2.266 6.026 0.332 1.00 0.00 C ATOM 723 O GLU A 462 2.658 6.925 -0.412 1.00 0.00 O ATOM 724 CB GLU A 462 3.033 6.956 2.525 1.00 0.00 C ATOM 725 CG GLU A 462 3.702 6.723 3.869 1.00 0.00 C ATOM 726 CD GLU A 462 5.212 6.836 3.796 1.00 0.00 C ATOM 727 OE1 GLU A 462 5.712 7.522 2.880 1.00 0.00 O ATOM 728 OE2 GLU A 462 5.895 6.238 4.654 1.00 0.00 O ATOM 0 H GLU A 462 4.967 5.935 0.949 1.00 0.00 H new ATOM 0 HA GLU A 462 2.457 4.919 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.559 7.753 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.013 7.303 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.322 7.446 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 462 3.433 5.733 4.238 1.00 0.00 H new ATOM 735 N PHE A 463 1.200 5.279 0.064 1.00 0.00 N ATOM 736 CA PHE A 463 0.414 5.476 -1.148 1.00 0.00 C ATOM 737 C PHE A 463 -1.023 5.858 -0.809 1.00 0.00 C ATOM 738 O PHE A 463 -1.602 5.390 0.173 1.00 0.00 O ATOM 739 CB PHE A 463 0.428 4.206 -2.002 1.00 0.00 C ATOM 740 CG PHE A 463 1.793 3.595 -2.145 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.863 4.354 -2.590 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.005 2.261 -1.836 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.120 3.795 -2.722 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.259 1.696 -1.966 1.00 0.00 C ATOM 745 CZ PHE A 463 4.318 2.464 -2.411 1.00 0.00 C ATOM 0 H PHE A 463 0.861 4.532 0.670 1.00 0.00 H new ATOM 0 HA PHE A 463 0.864 6.292 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.245 3.472 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.038 4.439 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.713 5.395 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.180 1.656 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.946 4.398 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.411 0.655 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.299 2.024 -2.515 1.00 0.00 H new ATOM 755 N PRO A 464 -1.615 6.729 -1.639 1.00 0.00 N ATOM 756 CA PRO A 464 -2.992 7.194 -1.447 1.00 0.00 C ATOM 757 C PRO A 464 -4.017 6.097 -1.712 1.00 0.00 C ATOM 758 O PRO A 464 -3.884 5.326 -2.662 1.00 0.00 O ATOM 759 CB PRO A 464 -3.134 8.317 -2.478 1.00 0.00 C ATOM 760 CG PRO A 464 -2.137 7.989 -3.535 1.00 0.00 C ATOM 761 CD PRO A 464 -0.986 7.328 -2.828 1.00 0.00 C ATOM 0 HA PRO A 464 -3.175 7.512 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.144 8.355 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.933 9.291 -2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.567 7.325 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.810 8.889 -4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.510 6.573 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.215 8.048 -2.555 1.00 0.00 H new ATOM 769 N ALA A 465 -5.039 6.031 -0.865 1.00 0.00 N ATOM 770 CA ALA A 465 -6.088 5.029 -1.009 1.00 0.00 C ATOM 771 C ALA A 465 -6.477 4.848 -2.473 1.00 0.00 C ATOM 772 O ALA A 465 -6.938 3.780 -2.874 1.00 0.00 O ATOM 773 CB ALA A 465 -7.305 5.415 -0.182 1.00 0.00 C ATOM 0 H ALA A 465 -5.163 6.660 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.700 4.079 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.080 4.657 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.023 5.486 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.685 6.378 -0.522 1.00 0.00 H new ATOM 779 N GLN A 466 -6.288 5.898 -3.265 1.00 0.00 N ATOM 780 CA GLN A 466 -6.621 5.854 -4.684 1.00 0.00 C ATOM 781 C GLN A 466 -5.578 5.059 -5.463 1.00 0.00 C ATOM 782 O GLN A 466 -5.918 4.265 -6.339 1.00 0.00 O ATOM 783 CB GLN A 466 -6.725 7.272 -5.249 1.00 0.00 C ATOM 784 CG GLN A 466 -6.904 7.314 -6.758 1.00 0.00 C ATOM 785 CD GLN A 466 -7.666 8.540 -7.221 1.00 0.00 C ATOM 786 OE1 GLN A 466 -7.271 9.672 -6.944 1.00 0.00 O ATOM 787 NE2 GLN A 466 -8.766 8.320 -7.932 1.00 0.00 N ATOM 0 H GLN A 466 -5.906 6.789 -2.949 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.585 5.356 -4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.565 7.781 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.826 7.827 -4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.925 7.297 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.433 6.418 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -9.057 7.365 -8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -9.320 9.107 -8.271 1.00 0.00 H new ATOM 796 N GLU A 467 -4.308 5.279 -5.137 1.00 0.00 N ATOM 797 CA GLU A 467 -3.217 4.583 -5.808 1.00 0.00 C ATOM 798 C GLU A 467 -3.281 3.083 -5.539 1.00 0.00 C ATOM 799 O GLU A 467 -3.013 2.269 -6.425 1.00 0.00 O ATOM 800 CB GLU A 467 -1.868 5.138 -5.346 1.00 0.00 C ATOM 801 CG GLU A 467 -1.412 6.359 -6.127 1.00 0.00 C ATOM 802 CD GLU A 467 -0.841 6.003 -7.486 1.00 0.00 C ATOM 803 OE1 GLU A 467 -1.629 5.628 -8.380 1.00 0.00 O ATOM 804 OE2 GLU A 467 0.392 6.097 -7.655 1.00 0.00 O ATOM 0 H GLU A 467 -4.010 5.933 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.321 4.747 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.934 5.397 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.113 4.357 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -2.255 7.038 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.658 6.894 -5.549 1.00 0.00 H new ATOM 811 N LEU A 468 -3.636 2.723 -4.311 1.00 0.00 N ATOM 812 CA LEU A 468 -3.736 1.320 -3.923 1.00 0.00 C ATOM 813 C LEU A 468 -5.142 0.784 -4.173 1.00 0.00 C ATOM 814 O LEU A 468 -6.118 1.295 -3.625 1.00 0.00 O ATOM 815 CB LEU A 468 -3.369 1.151 -2.447 1.00 0.00 C ATOM 816 CG LEU A 468 -1.892 1.342 -2.097 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.711 1.456 -0.591 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.060 0.194 -2.650 1.00 0.00 C ATOM 0 H LEU A 468 -3.860 3.383 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.036 0.750 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.955 1.861 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.671 0.153 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.547 2.269 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.654 1.591 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.276 2.312 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.073 0.547 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.012 0.347 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.406 -0.746 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.165 0.158 -3.734 1.00 0.00 H new ATOM 830 N ARG A 469 -5.236 -0.249 -5.003 1.00 0.00 N ATOM 831 CA ARG A 469 -6.522 -0.856 -5.325 1.00 0.00 C ATOM 832 C ARG A 469 -6.637 -2.247 -4.710 1.00 0.00 C ATOM 833 O ARG A 469 -5.655 -2.986 -4.632 1.00 0.00 O ATOM 834 CB ARG A 469 -6.705 -0.940 -6.842 1.00 0.00 C ATOM 835 CG ARG A 469 -7.784 -1.919 -7.272 1.00 0.00 C ATOM 836 CD ARG A 469 -9.175 -1.383 -6.971 1.00 0.00 C ATOM 837 NE ARG A 469 -9.676 -0.528 -8.045 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.867 0.060 -8.021 1.00 0.00 C ATOM 839 NH1 ARG A 469 -11.675 -0.113 -6.983 1.00 0.00 N ATOM 840 NH2 ARG A 469 -11.252 0.823 -9.036 1.00 0.00 N ATOM 0 H ARG A 469 -4.437 -0.683 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.307 -0.227 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.951 0.050 -7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -5.759 -1.232 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -7.692 -2.117 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.640 -2.869 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.861 -2.217 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -9.152 -0.819 -6.039 1.00 0.00 H new ATOM 0 HE ARG A 469 -9.079 -0.374 -8.857 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -11.382 -0.699 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -12.589 0.340 -6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.633 0.958 -9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -12.167 1.274 -9.017 1.00 0.00 H new ATOM 854 N LYS A 470 -7.842 -2.599 -4.274 1.00 0.00 N ATOM 855 CA LYS A 470 -8.086 -3.901 -3.667 1.00 0.00 C ATOM 856 C LYS A 470 -8.346 -4.959 -4.734 1.00 0.00 C ATOM 857 O LYS A 470 -9.191 -4.777 -5.610 1.00 0.00 O ATOM 858 CB LYS A 470 -9.278 -3.825 -2.709 1.00 0.00 C ATOM 859 CG LYS A 470 -8.896 -3.431 -1.293 1.00 0.00 C ATOM 860 CD LYS A 470 -9.911 -3.934 -0.281 1.00 0.00 C ATOM 861 CE LYS A 470 -9.657 -5.387 0.088 1.00 0.00 C ATOM 862 NZ LYS A 470 -10.352 -6.324 -0.837 1.00 0.00 N ATOM 0 H LYS A 470 -8.665 -1.999 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 470 -7.195 -4.185 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -9.999 -3.105 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -9.777 -4.794 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -7.912 -3.835 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.820 -2.346 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -9.868 -3.317 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -10.916 -3.832 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -8.585 -5.585 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -9.995 -5.567 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -10.845 -7.055 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -11.042 -5.798 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -9.655 -6.775 -1.463 1.00 0.00 H new ATOM 876 N TYR A 471 -7.614 -6.065 -4.654 1.00 0.00 N ATOM 877 CA TYR A 471 -7.765 -7.152 -5.614 1.00 0.00 C ATOM 878 C TYR A 471 -7.983 -8.483 -4.901 1.00 0.00 C ATOM 879 O TYR A 471 -8.689 -9.357 -5.400 1.00 0.00 O ATOM 880 CB TYR A 471 -6.532 -7.240 -6.515 1.00 0.00 C ATOM 881 CG TYR A 471 -5.305 -7.774 -5.811 1.00 0.00 C ATOM 882 CD1 TYR A 471 -5.128 -9.139 -5.621 1.00 0.00 C ATOM 883 CD2 TYR A 471 -4.322 -6.914 -5.335 1.00 0.00 C ATOM 884 CE1 TYR A 471 -4.009 -9.632 -4.978 1.00 0.00 C ATOM 885 CE2 TYR A 471 -3.200 -7.398 -4.693 1.00 0.00 C ATOM 886 CZ TYR A 471 -3.048 -8.758 -4.516 1.00 0.00 C ATOM 887 OH TYR A 471 -1.931 -9.244 -3.875 1.00 0.00 O ATOM 0 H TYR A 471 -6.911 -6.232 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 471 -8.641 -6.941 -6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -6.760 -7.881 -7.367 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -6.311 -6.249 -6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -5.878 -9.827 -5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -4.438 -5.849 -5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -3.888 -10.696 -4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -2.445 -6.716 -4.331 1.00 0.00 H new ATOM 0 HH TYR A 471 -1.353 -8.497 -3.614 1.00 0.00 H new TER 897 TYR A 471