USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 GLN : amide:sc= -0.933 K(o=-0.99,f=-2.5!) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.0602 X(o=-0.99,f=-0.99) USER MOD Single : A 7 THR OG1 : rot 180:sc= -6.93! USER MOD Single : A 9 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 13 GLN : amide:sc= -0.0697 X(o=-0.07,f=0) USER MOD Single : A 14 ASN : amide:sc= -5.07! C(o=-5.1!,f=-6.7!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -9.76! C(o=-9.8!,f=-14!) USER MOD Single : A 44 GLN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.885) USER MOD Single : A 54 GLN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 56 THR OG1 : rot 3:sc= 0.912 USER MOD Single : A 90 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 93 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 0.0724 (180deg=0.0559) USER MOD Single : A 102 THR OG1 : rot -85:sc= 1.06 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0.255 USER MOD Single : A 113 THR OG1 : rot 91:sc= 0.0816 USER MOD Single : A 114 LYS NZ :NH3+ -151:sc= -0.348 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.537 1.133 13.063 1.00 0.00 N ATOM 91 CA THR A 7 16.308 1.527 11.677 1.00 0.00 C ATOM 92 C THR A 7 16.337 0.309 10.762 1.00 0.00 C ATOM 93 O THR A 7 17.262 -0.501 10.819 1.00 0.00 O ATOM 94 CB THR A 7 17.375 2.523 11.247 1.00 0.00 C ATOM 95 OG1 THR A 7 17.189 2.914 9.902 1.00 0.00 O ATOM 96 CG2 THR A 7 18.776 1.973 11.380 1.00 0.00 C ATOM 0 HA THR A 7 15.325 1.992 11.602 1.00 0.00 H new ATOM 0 HB THR A 7 17.266 3.377 11.916 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.885 3.555 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.495 2.727 11.059 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.966 1.710 12.420 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.879 1.085 10.756 1.00 0.00 H new ATOM 104 N PHE A 8 15.318 0.182 9.924 1.00 0.00 N ATOM 105 CA PHE A 8 15.229 -0.947 9.001 1.00 0.00 C ATOM 106 C PHE A 8 14.560 -0.569 7.685 1.00 0.00 C ATOM 107 O PHE A 8 13.650 0.260 7.653 1.00 0.00 O ATOM 108 CB PHE A 8 14.459 -2.101 9.642 1.00 0.00 C ATOM 109 CG PHE A 8 13.604 -1.681 10.798 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.157 -1.523 12.058 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.249 -1.452 10.625 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.373 -1.141 13.129 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.459 -1.073 11.696 1.00 0.00 C ATOM 114 CZ PHE A 8 12.023 -0.917 12.949 1.00 0.00 C ATOM 0 H PHE A 8 14.543 0.842 9.862 1.00 0.00 H new ATOM 0 HA PHE A 8 16.252 -1.255 8.783 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.829 -2.571 8.887 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.168 -2.856 9.981 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.212 -1.700 12.205 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.806 -1.570 9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.816 -1.018 14.106 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.403 -0.899 11.553 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.408 -0.620 13.786 1.00 0.00 H new ATOM 124 N CYS A 9 14.984 -1.221 6.611 1.00 0.00 N ATOM 125 CA CYS A 9 14.399 -0.995 5.297 1.00 0.00 C ATOM 126 C CYS A 9 13.333 -2.061 5.036 1.00 0.00 C ATOM 127 O CYS A 9 13.646 -3.249 4.961 1.00 0.00 O ATOM 128 CB CYS A 9 15.478 -1.050 4.210 1.00 0.00 C ATOM 129 SG CYS A 9 17.042 -0.270 4.673 1.00 0.00 S ATOM 0 H CYS A 9 15.733 -1.913 6.625 1.00 0.00 H new ATOM 0 HA CYS A 9 13.943 -0.005 5.272 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.667 -2.093 3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.096 -0.566 3.311 1.00 0.00 H new ATOM 0 HG CYS A 9 17.886 -0.372 3.689 1.00 0.00 H new ATOM 135 N VAL A 10 12.075 -1.643 4.925 1.00 0.00 N ATOM 136 CA VAL A 10 10.979 -2.588 4.703 1.00 0.00 C ATOM 137 C VAL A 10 10.399 -2.454 3.302 1.00 0.00 C ATOM 138 O VAL A 10 10.426 -1.382 2.710 1.00 0.00 O ATOM 139 CB VAL A 10 9.848 -2.388 5.740 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.632 -1.705 5.121 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.454 -3.714 6.362 1.00 0.00 C ATOM 0 H VAL A 10 11.788 -0.666 4.984 1.00 0.00 H new ATOM 0 HA VAL A 10 11.400 -3.587 4.817 1.00 0.00 H new ATOM 0 HB VAL A 10 10.231 -1.734 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.859 -1.582 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.921 -0.727 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.246 -2.317 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.658 -3.553 7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.103 -4.391 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.318 -4.152 6.862 1.00 0.00 H new ATOM 151 N VAL A 11 9.866 -3.549 2.784 1.00 0.00 N ATOM 152 CA VAL A 11 9.277 -3.543 1.458 1.00 0.00 C ATOM 153 C VAL A 11 7.963 -4.319 1.425 1.00 0.00 C ATOM 154 O VAL A 11 7.876 -5.442 1.924 1.00 0.00 O ATOM 155 CB VAL A 11 10.255 -4.128 0.429 1.00 0.00 C ATOM 156 CG1 VAL A 11 10.630 -5.554 0.797 1.00 0.00 C ATOM 157 CG2 VAL A 11 9.674 -4.056 -0.978 1.00 0.00 C ATOM 0 H VAL A 11 9.830 -4.450 3.261 1.00 0.00 H new ATOM 0 HA VAL A 11 9.066 -2.505 1.200 1.00 0.00 H new ATOM 0 HB VAL A 11 11.164 -3.527 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.324 -5.951 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.103 -5.564 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.732 -6.172 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.386 -4.477 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.744 -4.624 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.475 -3.016 -1.237 1.00 0.00 H new ATOM 167 N VAL A 12 6.942 -3.703 0.839 1.00 0.00 N ATOM 168 CA VAL A 12 5.623 -4.318 0.737 1.00 0.00 C ATOM 169 C VAL A 12 5.462 -5.067 -0.581 1.00 0.00 C ATOM 170 O VAL A 12 5.279 -4.457 -1.632 1.00 0.00 O ATOM 171 CB VAL A 12 4.509 -3.260 0.843 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.512 -2.615 2.220 1.00 0.00 C ATOM 173 CG2 VAL A 12 4.665 -2.206 -0.246 1.00 0.00 C ATOM 0 H VAL A 12 7.003 -2.773 0.425 1.00 0.00 H new ATOM 0 HA VAL A 12 5.537 -5.022 1.565 1.00 0.00 H new ATOM 0 HB VAL A 12 3.549 -3.757 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.718 -1.870 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.346 -3.379 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.474 -2.133 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.869 -1.467 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.631 -1.713 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.607 -2.683 -1.225 1.00 0.00 H new ATOM 183 N GLN A 13 5.526 -6.391 -0.517 1.00 0.00 N ATOM 184 CA GLN A 13 5.378 -7.214 -1.710 1.00 0.00 C ATOM 185 C GLN A 13 3.907 -7.505 -1.985 1.00 0.00 C ATOM 186 O GLN A 13 3.278 -8.296 -1.282 1.00 0.00 O ATOM 187 CB GLN A 13 6.156 -8.523 -1.554 1.00 0.00 C ATOM 188 CG GLN A 13 7.384 -8.608 -2.446 1.00 0.00 C ATOM 189 CD GLN A 13 8.177 -9.881 -2.226 1.00 0.00 C ATOM 190 OE1 GLN A 13 8.406 -10.652 -3.158 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.601 -10.107 -0.988 1.00 0.00 N ATOM 0 H GLN A 13 5.679 -6.916 0.344 1.00 0.00 H new ATOM 0 HA GLN A 13 5.785 -6.663 -2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.464 -8.632 -0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.494 -9.359 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.075 -8.553 -3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.026 -7.747 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.388 -9.440 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.140 -10.947 -0.779 1.00 0.00 H new ATOM 200 N ASN A 14 3.361 -6.856 -3.010 1.00 0.00 N ATOM 201 CA ASN A 14 1.962 -7.043 -3.373 1.00 0.00 C ATOM 202 C ASN A 14 1.829 -7.835 -4.668 1.00 0.00 C ATOM 203 O ASN A 14 2.191 -7.356 -5.743 1.00 0.00 O ATOM 204 CB ASN A 14 1.262 -5.691 -3.523 1.00 0.00 C ATOM 205 CG ASN A 14 -0.170 -5.726 -3.034 1.00 0.00 C ATOM 206 OD1 ASN A 14 -0.448 -6.164 -1.919 1.00 0.00 O ATOM 207 ND2 ASN A 14 -1.091 -5.266 -3.874 1.00 0.00 N ATOM 0 H ASN A 14 3.866 -6.197 -3.602 1.00 0.00 H new ATOM 0 HA ASN A 14 1.486 -7.608 -2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.815 -4.935 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.278 -5.391 -4.571 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.074 -5.267 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.815 -4.912 -4.790 1.00 0.00 H new ATOM 482 N ASP A 31 6.705 -4.667 -5.556 1.00 0.00 N ATOM 483 CA ASP A 31 7.089 -4.377 -4.182 1.00 0.00 C ATOM 484 C ASP A 31 7.853 -3.062 -4.090 1.00 0.00 C ATOM 485 O ASP A 31 8.700 -2.761 -4.932 1.00 0.00 O ATOM 486 CB ASP A 31 7.943 -5.512 -3.618 1.00 0.00 C ATOM 487 CG ASP A 31 9.223 -5.720 -4.403 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.281 -5.280 -5.571 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.167 -6.324 -3.851 1.00 0.00 O ATOM 0 HA ASP A 31 6.176 -4.287 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.189 -5.295 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.364 -6.435 -3.623 1.00 0.00 H new ATOM 494 N ASN A 32 7.553 -2.287 -3.056 1.00 0.00 N ATOM 495 CA ASN A 32 8.212 -1.006 -2.838 1.00 0.00 C ATOM 496 C ASN A 32 9.052 -1.060 -1.569 1.00 0.00 C ATOM 497 O ASN A 32 8.545 -1.397 -0.502 1.00 0.00 O ATOM 498 CB ASN A 32 7.177 0.116 -2.734 1.00 0.00 C ATOM 499 CG ASN A 32 7.680 1.422 -3.317 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.507 2.107 -2.714 1.00 0.00 O ATOM 501 ND2 ASN A 32 7.183 1.775 -4.496 1.00 0.00 N ATOM 0 H ASN A 32 6.854 -2.525 -2.352 1.00 0.00 H new ATOM 0 HA ASN A 32 8.864 -0.801 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.267 -0.184 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.912 0.267 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.485 2.644 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.499 1.177 -4.961 1.00 0.00 H new ATOM 508 N SER A 33 10.336 -0.738 -1.689 1.00 0.00 N ATOM 509 CA SER A 33 11.230 -0.770 -0.539 1.00 0.00 C ATOM 510 C SER A 33 11.207 0.541 0.226 1.00 0.00 C ATOM 511 O SER A 33 11.073 1.619 -0.352 1.00 0.00 O ATOM 512 CB SER A 33 12.665 -1.078 -0.959 1.00 0.00 C ATOM 513 OG SER A 33 12.937 -0.583 -2.259 1.00 0.00 O ATOM 0 H SER A 33 10.777 -0.454 -2.564 1.00 0.00 H new ATOM 0 HA SER A 33 10.868 -1.565 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.359 -0.633 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.830 -2.155 -0.935 1.00 0.00 H new ATOM 0 HG SER A 33 13.863 -0.793 -2.502 1.00 0.00 H new ATOM 519 N LEU A 34 11.349 0.424 1.533 1.00 0.00 N ATOM 520 CA LEU A 34 11.360 1.574 2.419 1.00 0.00 C ATOM 521 C LEU A 34 12.751 1.748 3.024 1.00 0.00 C ATOM 522 O LEU A 34 13.396 0.772 3.398 1.00 0.00 O ATOM 523 CB LEU A 34 10.295 1.394 3.520 1.00 0.00 C ATOM 524 CG LEU A 34 10.316 2.403 4.656 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.227 1.886 5.751 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.744 3.790 4.192 1.00 0.00 C ATOM 0 H LEU A 34 11.460 -0.470 2.011 1.00 0.00 H new ATOM 0 HA LEU A 34 11.119 2.474 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.311 1.428 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.411 0.398 3.947 1.00 0.00 H new ATOM 0 HG LEU A 34 9.302 2.514 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.251 2.602 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.853 0.929 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.234 1.755 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.743 4.474 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.747 3.739 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.049 4.151 3.434 1.00 0.00 H new ATOM 538 N ALA A 35 13.208 2.991 3.115 1.00 0.00 N ATOM 539 CA ALA A 35 14.514 3.293 3.672 1.00 0.00 C ATOM 540 C ALA A 35 14.516 3.050 5.168 1.00 0.00 C ATOM 541 O ALA A 35 13.472 3.049 5.808 1.00 0.00 O ATOM 542 CB ALA A 35 14.907 4.724 3.367 1.00 0.00 C ATOM 0 H ALA A 35 12.685 3.811 2.806 1.00 0.00 H new ATOM 0 HA ALA A 35 15.247 2.632 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.889 4.930 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.942 4.869 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.173 5.403 3.801 1.00 0.00 H new ATOM 548 N ALA A 36 15.687 2.819 5.721 1.00 0.00 N ATOM 549 CA ALA A 36 15.800 2.532 7.142 1.00 0.00 C ATOM 550 C ALA A 36 15.511 3.768 7.984 1.00 0.00 C ATOM 551 O ALA A 36 16.298 4.713 8.027 1.00 0.00 O ATOM 552 CB ALA A 36 17.185 1.984 7.450 1.00 0.00 C ATOM 0 H ALA A 36 16.573 2.823 5.215 1.00 0.00 H new ATOM 0 HA ALA A 36 15.054 1.780 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.263 1.771 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.348 1.067 6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.938 2.721 7.171 1.00 0.00 H new ATOM 558 N VAL A 37 14.351 3.740 8.645 1.00 0.00 N ATOM 559 CA VAL A 37 13.907 4.844 9.488 1.00 0.00 C ATOM 560 C VAL A 37 13.515 4.352 10.882 1.00 0.00 C ATOM 561 O VAL A 37 13.645 3.171 11.194 1.00 0.00 O ATOM 562 CB VAL A 37 12.707 5.602 8.848 1.00 0.00 C ATOM 563 CG1 VAL A 37 12.679 5.399 7.340 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.374 5.169 9.451 1.00 0.00 C ATOM 0 H VAL A 37 13.700 2.956 8.609 1.00 0.00 H new ATOM 0 HA VAL A 37 14.747 5.532 9.578 1.00 0.00 H new ATOM 0 HB VAL A 37 12.849 6.661 9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.832 5.938 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.604 5.777 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.581 4.336 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.563 5.722 8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.230 4.101 9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.375 5.374 10.522 1.00 0.00 H new ATOM 574 N SER A 38 13.026 5.272 11.709 1.00 0.00 N ATOM 575 CA SER A 38 12.607 4.943 13.068 1.00 0.00 C ATOM 576 C SER A 38 11.696 3.716 13.091 1.00 0.00 C ATOM 577 O SER A 38 12.080 2.659 13.592 1.00 0.00 O ATOM 578 CB SER A 38 11.889 6.137 13.702 1.00 0.00 C ATOM 579 OG SER A 38 12.457 6.465 14.959 1.00 0.00 O ATOM 0 H SER A 38 12.910 6.254 11.460 1.00 0.00 H new ATOM 0 HA SER A 38 13.502 4.710 13.645 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.950 6.998 13.036 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.831 5.905 13.827 1.00 0.00 H new ATOM 0 HG SER A 38 11.982 7.232 15.343 1.00 0.00 H new ATOM 585 N GLU A 39 10.488 3.862 12.550 1.00 0.00 N ATOM 586 CA GLU A 39 9.529 2.756 12.518 1.00 0.00 C ATOM 587 C GLU A 39 8.225 3.140 11.809 1.00 0.00 C ATOM 588 O GLU A 39 7.451 2.265 11.419 1.00 0.00 O ATOM 589 CB GLU A 39 9.218 2.287 13.941 1.00 0.00 C ATOM 590 CG GLU A 39 8.268 1.101 13.998 1.00 0.00 C ATOM 591 CD GLU A 39 6.909 1.468 14.563 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.278 2.406 14.031 1.00 0.00 O ATOM 593 OE2 GLU A 39 6.476 0.819 15.537 1.00 0.00 O ATOM 0 H GLU A 39 10.150 4.728 12.130 1.00 0.00 H new ATOM 0 HA GLU A 39 9.990 1.947 11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.150 2.019 14.438 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.785 3.116 14.501 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.142 0.693 12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.711 0.315 14.609 1.00 0.00 H new ATOM 600 N SER A 40 7.977 4.442 11.651 1.00 0.00 N ATOM 601 CA SER A 40 6.759 4.924 10.998 1.00 0.00 C ATOM 602 C SER A 40 6.422 4.102 9.753 1.00 0.00 C ATOM 603 O SER A 40 5.254 3.834 9.472 1.00 0.00 O ATOM 604 CB SER A 40 6.913 6.398 10.619 1.00 0.00 C ATOM 605 OG SER A 40 5.907 6.798 9.704 1.00 0.00 O ATOM 0 H SER A 40 8.604 5.182 11.967 1.00 0.00 H new ATOM 0 HA SER A 40 5.939 4.813 11.707 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.859 7.015 11.516 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.896 6.562 10.178 1.00 0.00 H new ATOM 0 HG SER A 40 6.027 7.744 9.479 1.00 0.00 H new ATOM 611 N GLN A 41 7.453 3.704 9.015 1.00 0.00 N ATOM 612 CA GLN A 41 7.272 2.911 7.802 1.00 0.00 C ATOM 613 C GLN A 41 6.441 1.663 8.071 1.00 0.00 C ATOM 614 O GLN A 41 5.479 1.376 7.358 1.00 0.00 O ATOM 615 CB GLN A 41 8.623 2.498 7.236 1.00 0.00 C ATOM 616 CG GLN A 41 9.560 1.879 8.258 1.00 0.00 C ATOM 617 CD GLN A 41 9.442 0.372 8.314 1.00 0.00 C ATOM 618 OE1 GLN A 41 8.888 -0.254 7.413 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.956 -0.216 9.383 1.00 0.00 N ATOM 0 H GLN A 41 8.426 3.918 9.236 1.00 0.00 H new ATOM 0 HA GLN A 41 6.743 3.533 7.080 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.463 1.785 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.105 3.373 6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.587 2.151 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.344 2.294 9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.407 0.345 10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.901 -1.230 9.483 1.00 0.00 H new ATOM 628 N LEU A 42 6.832 0.919 9.096 1.00 0.00 N ATOM 629 CA LEU A 42 6.139 -0.311 9.456 1.00 0.00 C ATOM 630 C LEU A 42 4.671 -0.044 9.760 1.00 0.00 C ATOM 631 O LEU A 42 3.789 -0.760 9.288 1.00 0.00 O ATOM 632 CB LEU A 42 6.813 -0.964 10.663 1.00 0.00 C ATOM 633 CG LEU A 42 6.243 -2.325 11.066 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.984 -3.447 10.356 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.316 -2.507 12.575 1.00 0.00 C ATOM 0 H LEU A 42 7.627 1.146 9.694 1.00 0.00 H new ATOM 0 HA LEU A 42 6.194 -0.990 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.875 -1.082 10.447 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.734 -0.288 11.514 1.00 0.00 H new ATOM 0 HG LEU A 42 5.196 -2.362 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.564 -4.407 10.656 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.880 -3.326 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.040 -3.413 10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.906 -3.481 12.844 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.355 -2.448 12.899 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.739 -1.723 13.064 1.00 0.00 H new ATOM 647 N ALA A 43 4.418 0.989 10.553 1.00 0.00 N ATOM 648 CA ALA A 43 3.056 1.348 10.921 1.00 0.00 C ATOM 649 C ALA A 43 2.306 1.956 9.742 1.00 0.00 C ATOM 650 O ALA A 43 1.096 1.774 9.607 1.00 0.00 O ATOM 651 CB ALA A 43 3.070 2.307 12.096 1.00 0.00 C ATOM 0 H ALA A 43 5.137 1.592 10.953 1.00 0.00 H new ATOM 0 HA ALA A 43 2.531 0.438 11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.046 2.570 12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.557 1.832 12.948 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.616 3.210 11.822 1.00 0.00 H new ATOM 657 N GLN A 44 3.027 2.675 8.888 1.00 0.00 N ATOM 658 CA GLN A 44 2.415 3.299 7.722 1.00 0.00 C ATOM 659 C GLN A 44 1.870 2.234 6.778 1.00 0.00 C ATOM 660 O GLN A 44 0.755 2.351 6.267 1.00 0.00 O ATOM 661 CB GLN A 44 3.431 4.178 6.990 1.00 0.00 C ATOM 662 CG GLN A 44 2.796 5.299 6.183 1.00 0.00 C ATOM 663 CD GLN A 44 2.913 6.648 6.864 1.00 0.00 C ATOM 664 OE1 GLN A 44 1.909 7.281 7.192 1.00 0.00 O ATOM 665 NE2 GLN A 44 4.144 7.096 7.081 1.00 0.00 N ATOM 0 H GLN A 44 4.029 2.839 8.981 1.00 0.00 H new ATOM 0 HA GLN A 44 1.590 3.926 8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.117 4.610 7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.026 3.553 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.270 5.349 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.743 5.070 6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.948 6.538 6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.286 7.998 7.536 1.00 0.00 H new ATOM 674 N LEU A 45 2.666 1.196 6.556 1.00 0.00 N ATOM 675 CA LEU A 45 2.275 0.099 5.680 1.00 0.00 C ATOM 676 C LEU A 45 1.319 -0.852 6.393 1.00 0.00 C ATOM 677 O LEU A 45 0.425 -1.430 5.775 1.00 0.00 O ATOM 678 CB LEU A 45 3.516 -0.654 5.204 1.00 0.00 C ATOM 679 CG LEU A 45 4.655 0.241 4.718 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.895 -0.579 4.396 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.215 1.057 3.515 1.00 0.00 C ATOM 0 H LEU A 45 3.591 1.091 6.973 1.00 0.00 H new ATOM 0 HA LEU A 45 1.757 0.514 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.883 -1.276 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.229 -1.326 4.395 1.00 0.00 H new ATOM 0 HG LEU A 45 4.913 0.930 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.690 0.083 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.224 -1.107 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.661 -1.301 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.039 1.688 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.923 0.386 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.366 1.683 3.791 1.00 0.00 H new ATOM 692 N LYS A 46 1.516 -1.006 7.698 1.00 0.00 N ATOM 693 CA LYS A 46 0.672 -1.885 8.501 1.00 0.00 C ATOM 694 C LYS A 46 -0.726 -1.296 8.677 1.00 0.00 C ATOM 695 O LYS A 46 -1.684 -2.021 8.948 1.00 0.00 O ATOM 696 CB LYS A 46 1.306 -2.124 9.873 1.00 0.00 C ATOM 697 CG LYS A 46 2.300 -3.275 9.894 1.00 0.00 C ATOM 698 CD LYS A 46 2.464 -3.843 11.295 1.00 0.00 C ATOM 699 CE LYS A 46 3.276 -5.127 11.285 1.00 0.00 C ATOM 700 NZ LYS A 46 3.865 -5.421 12.619 1.00 0.00 N ATOM 0 H LYS A 46 2.252 -0.534 8.223 1.00 0.00 H new ATOM 0 HA LYS A 46 0.584 -2.835 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.811 -1.213 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.517 -2.323 10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.963 -4.061 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.266 -2.930 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.954 -3.107 11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.482 -4.036 11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.639 -5.957 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.073 -5.047 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.766 -5.926 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.034 -4.530 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.208 -6.013 13.166 1.00 0.00 H new ATOM 714 N ALA A 47 -0.837 0.022 8.525 1.00 0.00 N ATOM 715 CA ALA A 47 -2.118 0.708 8.671 1.00 0.00 C ATOM 716 C ALA A 47 -3.227 -0.005 7.903 1.00 0.00 C ATOM 717 O ALA A 47 -4.203 -0.469 8.491 1.00 0.00 O ATOM 718 CB ALA A 47 -1.997 2.151 8.204 1.00 0.00 C ATOM 0 H ALA A 47 -0.054 0.636 8.301 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.385 0.695 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.958 2.652 8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.246 2.666 8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.700 2.170 7.156 1.00 0.00 H new ATOM 724 N ASP A 48 -3.071 -0.087 6.586 1.00 0.00 N ATOM 725 CA ASP A 48 -4.060 -0.742 5.739 1.00 0.00 C ATOM 726 C ASP A 48 -3.677 -2.198 5.479 1.00 0.00 C ATOM 727 O ASP A 48 -2.580 -2.482 4.998 1.00 0.00 O ATOM 728 CB ASP A 48 -4.199 0.004 4.411 1.00 0.00 C ATOM 729 CG ASP A 48 -5.620 -0.022 3.879 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.966 -0.983 3.161 1.00 0.00 O ATOM 731 OD2 ASP A 48 -6.384 0.918 4.182 1.00 0.00 O ATOM 0 H ASP A 48 -2.269 0.292 6.082 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.017 -0.724 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.882 1.039 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.530 -0.442 3.675 1.00 0.00 H new ATOM 736 N PRO A 49 -4.578 -3.148 5.795 1.00 0.00 N ATOM 737 CA PRO A 49 -4.323 -4.574 5.592 1.00 0.00 C ATOM 738 C PRO A 49 -4.531 -5.002 4.141 1.00 0.00 C ATOM 739 O PRO A 49 -5.326 -5.897 3.856 1.00 0.00 O ATOM 740 CB PRO A 49 -5.356 -5.236 6.500 1.00 0.00 C ATOM 741 CG PRO A 49 -6.505 -4.288 6.505 1.00 0.00 C ATOM 742 CD PRO A 49 -5.915 -2.908 6.376 1.00 0.00 C ATOM 0 HA PRO A 49 -3.292 -4.846 5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.650 -6.215 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.962 -5.389 7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.186 -4.498 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.081 -4.380 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.522 -2.272 5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.847 -2.410 7.343 1.00 0.00 H new ATOM 750 N ARG A 50 -3.811 -4.355 3.230 1.00 0.00 N ATOM 751 CA ARG A 50 -3.919 -4.669 1.809 1.00 0.00 C ATOM 752 C ARG A 50 -2.636 -5.314 1.294 1.00 0.00 C ATOM 753 O ARG A 50 -2.676 -6.246 0.491 1.00 0.00 O ATOM 754 CB ARG A 50 -4.230 -3.402 1.007 1.00 0.00 C ATOM 755 CG ARG A 50 -5.637 -3.379 0.432 1.00 0.00 C ATOM 756 CD ARG A 50 -6.146 -1.957 0.263 1.00 0.00 C ATOM 757 NE ARG A 50 -7.004 -1.817 -0.912 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.261 -2.250 -0.967 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.811 -2.849 0.083 1.00 0.00 N ATOM 760 NH2 ARG A 50 -8.972 -2.083 -2.074 1.00 0.00 N ATOM 0 H ARG A 50 -3.148 -3.612 3.449 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.735 -5.380 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.094 -2.532 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.511 -3.312 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.645 -3.887 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.309 -3.931 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.701 -1.663 1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.299 -1.277 0.176 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.617 -1.361 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.269 -2.979 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.775 -3.179 0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.555 -1.623 -2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.936 -2.415 -2.116 1.00 0.00 H new ATOM 774 N LEU A 51 -1.496 -4.816 1.766 1.00 0.00 N ATOM 775 CA LEU A 51 -0.200 -5.349 1.354 1.00 0.00 C ATOM 776 C LEU A 51 0.481 -6.057 2.522 1.00 0.00 C ATOM 777 O LEU A 51 -0.120 -6.241 3.580 1.00 0.00 O ATOM 778 CB LEU A 51 0.704 -4.233 0.813 1.00 0.00 C ATOM 779 CG LEU A 51 -0.015 -3.063 0.129 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.029 -3.566 -0.890 1.00 0.00 C ATOM 781 CD2 LEU A 51 -0.686 -2.168 1.160 1.00 0.00 C ATOM 0 H LEU A 51 -1.443 -4.046 2.433 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.370 -6.071 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.296 -3.838 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.403 -4.671 0.101 1.00 0.00 H new ATOM 0 HG LEU A 51 0.731 -2.473 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.524 -2.717 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.518 -4.155 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.771 -4.187 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.190 -1.345 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.416 -2.748 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.066 -1.769 1.841 1.00 0.00 H new ATOM 793 N VAL A 52 1.731 -6.466 2.323 1.00 0.00 N ATOM 794 CA VAL A 52 2.475 -7.165 3.365 1.00 0.00 C ATOM 795 C VAL A 52 3.737 -6.405 3.771 1.00 0.00 C ATOM 796 O VAL A 52 4.725 -6.386 3.038 1.00 0.00 O ATOM 797 CB VAL A 52 2.859 -8.589 2.909 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.623 -9.346 2.465 1.00 0.00 C ATOM 799 CG2 VAL A 52 3.887 -8.548 1.786 1.00 0.00 C ATOM 0 H VAL A 52 2.247 -6.326 1.454 1.00 0.00 H new ATOM 0 HA VAL A 52 1.817 -7.228 4.232 1.00 0.00 H new ATOM 0 HB VAL A 52 3.308 -9.108 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.906 -10.349 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.920 -9.414 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.153 -8.820 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.138 -9.565 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.473 -8.009 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.786 -8.040 2.134 1.00 0.00 H new ATOM 809 N VAL A 53 3.705 -5.790 4.948 1.00 0.00 N ATOM 810 CA VAL A 53 4.859 -5.046 5.440 1.00 0.00 C ATOM 811 C VAL A 53 5.648 -5.876 6.446 1.00 0.00 C ATOM 812 O VAL A 53 5.220 -6.075 7.583 1.00 0.00 O ATOM 813 CB VAL A 53 4.445 -3.701 6.069 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.297 -3.884 7.051 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.626 -3.015 6.743 1.00 0.00 C ATOM 0 H VAL A 53 2.900 -5.791 5.575 1.00 0.00 H new ATOM 0 HA VAL A 53 5.496 -4.832 4.582 1.00 0.00 H new ATOM 0 HB VAL A 53 4.101 -3.056 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.027 -2.919 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.436 -4.304 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.605 -4.561 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.299 -2.070 7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.019 -3.658 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.406 -2.826 6.006 1.00 0.00 H new ATOM 825 N GLN A 54 6.800 -6.363 6.005 1.00 0.00 N ATOM 826 CA GLN A 54 7.664 -7.185 6.848 1.00 0.00 C ATOM 827 C GLN A 54 9.087 -6.634 6.879 1.00 0.00 C ATOM 828 O GLN A 54 9.690 -6.398 5.834 1.00 0.00 O ATOM 829 CB GLN A 54 7.674 -8.631 6.346 1.00 0.00 C ATOM 830 CG GLN A 54 7.511 -9.661 7.452 1.00 0.00 C ATOM 831 CD GLN A 54 7.349 -11.069 6.916 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.073 -11.983 7.312 1.00 0.00 O ATOM 833 NE2 GLN A 54 6.395 -11.252 6.011 1.00 0.00 N ATOM 0 H GLN A 54 7.161 -6.203 5.064 1.00 0.00 H new ATOM 0 HA GLN A 54 7.266 -7.161 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.871 -8.760 5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.611 -8.818 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.380 -9.624 8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.642 -9.404 8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.818 -10.466 5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.239 -12.179 5.615 1.00 0.00 H new ATOM 842 N ILE A 55 9.614 -6.435 8.084 1.00 0.00 N ATOM 843 CA ILE A 55 10.966 -5.908 8.253 1.00 0.00 C ATOM 844 C ILE A 55 12.005 -7.028 8.264 1.00 0.00 C ATOM 845 O ILE A 55 11.868 -8.014 8.988 1.00 0.00 O ATOM 846 CB ILE A 55 11.096 -5.068 9.551 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.270 -5.964 10.783 1.00 0.00 C ATOM 848 CG2 ILE A 55 9.887 -4.161 9.732 1.00 0.00 C ATOM 849 CD1 ILE A 55 10.101 -6.891 11.035 1.00 0.00 C ATOM 0 H ILE A 55 9.126 -6.631 8.958 1.00 0.00 H new ATOM 0 HA ILE A 55 11.156 -5.259 7.398 1.00 0.00 H new ATOM 0 HB ILE A 55 11.988 -4.450 9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.175 -6.560 10.662 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.418 -5.334 11.660 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.001 -3.582 10.648 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.810 -3.483 8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.983 -4.767 9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.298 -7.492 11.923 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.197 -6.302 11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.965 -7.547 10.175 1.00 0.00 H new ATOM 861 N THR A 56 13.048 -6.860 7.458 1.00 0.00 N ATOM 862 CA THR A 56 14.119 -7.843 7.371 1.00 0.00 C ATOM 863 C THR A 56 15.462 -7.203 7.707 1.00 0.00 C ATOM 864 O THR A 56 16.031 -6.469 6.900 1.00 0.00 O ATOM 865 CB THR A 56 14.167 -8.454 5.969 1.00 0.00 C ATOM 866 OG1 THR A 56 14.727 -7.539 5.044 1.00 0.00 O ATOM 867 CG2 THR A 56 12.807 -8.861 5.446 1.00 0.00 C ATOM 0 H THR A 56 13.173 -6.048 6.854 1.00 0.00 H new ATOM 0 HA THR A 56 13.918 -8.633 8.094 1.00 0.00 H new ATOM 0 HB THR A 56 14.783 -9.348 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.010 -6.728 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.913 -9.286 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.368 -9.604 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.158 -7.986 5.400 1.00 0.00 H new ATOM 1312 N LEU A 89 -20.334 -22.916 3.179 1.00 0.00 N ATOM 1313 CA LEU A 89 -19.601 -21.833 3.825 1.00 0.00 C ATOM 1314 C LEU A 89 -19.548 -20.589 2.938 1.00 0.00 C ATOM 1315 O LEU A 89 -19.234 -19.496 3.411 1.00 0.00 O ATOM 1316 CB LEU A 89 -18.181 -22.287 4.177 1.00 0.00 C ATOM 1317 CG LEU A 89 -17.946 -22.593 5.659 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -18.202 -21.359 6.511 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -18.830 -23.746 6.109 1.00 0.00 C ATOM 0 HA LEU A 89 -20.131 -21.573 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -17.947 -23.179 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -17.481 -21.512 3.866 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.904 -22.885 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -18.029 -21.599 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -17.527 -20.560 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -19.234 -21.033 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -18.651 -23.951 7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -19.877 -23.480 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -18.596 -24.634 5.522 1.00 0.00 H new ATOM 1331 N ASN A 90 -19.852 -20.758 1.652 1.00 0.00 N ATOM 1332 CA ASN A 90 -19.831 -19.643 0.707 1.00 0.00 C ATOM 1333 C ASN A 90 -20.589 -18.437 1.258 1.00 0.00 C ATOM 1334 O ASN A 90 -20.081 -17.316 1.245 1.00 0.00 O ATOM 1335 CB ASN A 90 -20.437 -20.071 -0.630 1.00 0.00 C ATOM 1336 CG ASN A 90 -20.282 -19.009 -1.702 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -21.259 -18.594 -2.327 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -19.051 -18.565 -1.921 1.00 0.00 N ATOM 0 H ASN A 90 -20.115 -21.654 1.242 1.00 0.00 H new ATOM 0 HA ASN A 90 -18.791 -19.353 0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -19.960 -20.992 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -21.495 -20.292 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -18.885 -17.852 -2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -18.271 -18.937 -1.380 1.00 0.00 H new ATOM 1345 N THR A 91 -21.807 -18.671 1.739 1.00 0.00 N ATOM 1346 CA THR A 91 -22.631 -17.597 2.290 1.00 0.00 C ATOM 1347 C THR A 91 -21.987 -16.947 3.522 1.00 0.00 C ATOM 1348 O THR A 91 -22.455 -15.911 3.993 1.00 0.00 O ATOM 1349 CB THR A 91 -24.021 -18.130 2.652 1.00 0.00 C ATOM 1350 OG1 THR A 91 -24.144 -19.498 2.305 1.00 0.00 O ATOM 1351 CG2 THR A 91 -25.144 -17.383 1.968 1.00 0.00 C ATOM 0 H THR A 91 -22.245 -19.592 1.759 1.00 0.00 H new ATOM 0 HA THR A 91 -22.720 -16.830 1.520 1.00 0.00 H new ATOM 0 HB THR A 91 -24.111 -17.987 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.038 -19.818 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.101 -17.811 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 91 -25.110 -16.332 2.256 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.032 -17.467 0.887 1.00 0.00 H new ATOM 1359 N PHE A 92 -20.915 -17.549 4.045 1.00 0.00 N ATOM 1360 CA PHE A 92 -20.231 -17.009 5.214 1.00 0.00 C ATOM 1361 C PHE A 92 -18.919 -16.343 4.810 1.00 0.00 C ATOM 1362 O PHE A 92 -18.092 -16.947 4.125 1.00 0.00 O ATOM 1363 CB PHE A 92 -19.962 -18.126 6.226 1.00 0.00 C ATOM 1364 CG PHE A 92 -21.192 -18.898 6.615 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -21.856 -19.683 5.686 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -21.684 -18.839 7.909 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -22.988 -20.395 6.040 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -22.813 -19.548 8.270 1.00 0.00 C ATOM 1369 CZ PHE A 92 -23.467 -20.326 7.334 1.00 0.00 C ATOM 0 H PHE A 92 -20.506 -18.408 3.676 1.00 0.00 H new ATOM 0 HA PHE A 92 -20.873 -16.257 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -19.229 -18.815 5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -19.517 -17.693 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -21.485 -19.740 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -21.178 -18.231 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -23.496 -21.003 5.306 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -23.184 -19.494 9.283 1.00 0.00 H new ATOM 0 HZ PHE A 92 -24.351 -20.879 7.614 1.00 0.00 H new ATOM 1379 N THR A 93 -18.734 -15.095 5.231 1.00 0.00 N ATOM 1380 CA THR A 93 -17.520 -14.351 4.903 1.00 0.00 C ATOM 1381 C THR A 93 -16.724 -14.014 6.165 1.00 0.00 C ATOM 1382 O THR A 93 -15.832 -14.764 6.562 1.00 0.00 O ATOM 1383 CB THR A 93 -17.866 -13.076 4.118 1.00 0.00 C ATOM 1384 OG1 THR A 93 -16.898 -12.066 4.340 1.00 0.00 O ATOM 1385 CG2 THR A 93 -19.221 -12.494 4.467 1.00 0.00 C ATOM 0 H THR A 93 -19.406 -14.578 5.798 1.00 0.00 H new ATOM 0 HA THR A 93 -16.894 -14.983 4.273 1.00 0.00 H new ATOM 0 HB THR A 93 -17.883 -13.387 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 93 -17.138 -11.265 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 93 -19.395 -11.596 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 93 -19.998 -13.227 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.245 -12.239 5.526 1.00 0.00 H new ATOM 1393 N VAL A 94 -17.047 -12.886 6.793 1.00 0.00 N ATOM 1394 CA VAL A 94 -16.359 -12.461 8.010 1.00 0.00 C ATOM 1395 C VAL A 94 -17.273 -11.612 8.888 1.00 0.00 C ATOM 1396 O VAL A 94 -17.241 -11.707 10.105 1.00 0.00 O ATOM 1397 CB VAL A 94 -15.065 -11.670 7.704 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -13.847 -12.575 7.821 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -15.125 -11.028 6.324 1.00 0.00 C ATOM 0 H VAL A 94 -17.780 -12.250 6.480 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.085 -13.371 8.543 1.00 0.00 H new ATOM 0 HB VAL A 94 -14.977 -10.871 8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.946 -12.002 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.786 -12.975 8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.935 -13.397 7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -14.202 -10.479 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -15.246 -11.803 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.971 -10.342 6.278 1.00 0.00 H new ATOM 1409 N GLU A 95 -18.091 -10.785 8.263 1.00 0.00 N ATOM 1410 CA GLU A 95 -19.028 -9.940 8.990 1.00 0.00 C ATOM 1411 C GLU A 95 -20.308 -10.706 9.328 1.00 0.00 C ATOM 1412 O GLU A 95 -21.078 -10.297 10.197 1.00 0.00 O ATOM 1413 CB GLU A 95 -19.363 -8.688 8.176 1.00 0.00 C ATOM 1414 CG GLU A 95 -20.102 -8.986 6.880 1.00 0.00 C ATOM 1415 CD GLU A 95 -19.536 -8.222 5.698 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -19.333 -6.997 5.826 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -19.299 -8.849 4.645 1.00 0.00 O ATOM 0 H GLU A 95 -18.127 -10.678 7.249 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.553 -9.637 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.971 -8.020 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -18.440 -8.157 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.052 -10.055 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.156 -8.734 7.000 1.00 0.00 H new ATOM 1424 N GLN A 96 -20.548 -11.799 8.602 1.00 0.00 N ATOM 1425 CA GLN A 96 -21.752 -12.600 8.785 1.00 0.00 C ATOM 1426 C GLN A 96 -21.665 -13.497 10.005 1.00 0.00 C ATOM 1427 O GLN A 96 -22.630 -13.617 10.760 1.00 0.00 O ATOM 1428 CB GLN A 96 -22.010 -13.447 7.535 1.00 0.00 C ATOM 1429 CG GLN A 96 -23.475 -13.511 7.136 1.00 0.00 C ATOM 1430 CD GLN A 96 -24.133 -14.814 7.547 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -23.471 -15.843 7.683 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -25.445 -14.775 7.748 1.00 0.00 N ATOM 0 H GLN A 96 -19.919 -12.148 7.879 1.00 0.00 H new ATOM 0 HA GLN A 96 -22.581 -11.910 8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -21.433 -13.040 6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -21.645 -14.459 7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -24.009 -12.678 7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -23.560 -13.390 6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -25.954 -13.900 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -25.944 -15.620 8.027 1.00 0.00 H new ATOM 1441 N LEU A 97 -20.521 -14.133 10.200 1.00 0.00 N ATOM 1442 CA LEU A 97 -20.367 -15.014 11.347 1.00 0.00 C ATOM 1443 C LEU A 97 -20.450 -14.206 12.635 1.00 0.00 C ATOM 1444 O LEU A 97 -21.287 -14.483 13.487 1.00 0.00 O ATOM 1445 CB LEU A 97 -19.078 -15.856 11.299 1.00 0.00 C ATOM 1446 CG LEU A 97 -17.997 -15.454 10.301 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -18.488 -15.572 8.865 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -17.509 -14.061 10.598 1.00 0.00 C ATOM 0 H LEU A 97 -19.703 -14.060 9.595 1.00 0.00 H new ATOM 0 HA LEU A 97 -21.188 -15.730 11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -18.634 -15.844 12.295 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -19.361 -16.887 11.088 1.00 0.00 H new ATOM 0 HG LEU A 97 -17.161 -16.145 10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -17.691 -15.277 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -18.776 -16.604 8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -19.349 -14.920 8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -16.738 -13.785 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.341 -13.361 10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.095 -14.028 11.606 1.00 0.00 H new ATOM 1460 N LYS A 98 -19.603 -13.192 12.770 1.00 0.00 N ATOM 1461 CA LYS A 98 -19.633 -12.347 13.966 1.00 0.00 C ATOM 1462 C LYS A 98 -21.049 -11.849 14.249 1.00 0.00 C ATOM 1463 O LYS A 98 -21.424 -11.662 15.406 1.00 0.00 O ATOM 1464 CB LYS A 98 -18.675 -11.153 13.849 1.00 0.00 C ATOM 1465 CG LYS A 98 -18.510 -10.585 12.446 1.00 0.00 C ATOM 1466 CD LYS A 98 -17.074 -10.137 12.202 1.00 0.00 C ATOM 1467 CE LYS A 98 -16.083 -11.273 12.428 1.00 0.00 C ATOM 1468 NZ LYS A 98 -14.863 -11.119 11.587 1.00 0.00 N ATOM 0 H LYS A 98 -18.897 -12.935 12.081 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.300 -12.967 14.799 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.030 -10.358 14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.695 -11.457 14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.789 -11.339 11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.186 -9.741 12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.977 -9.767 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.834 -9.307 12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.798 -11.303 13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.563 -12.225 12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.145 -11.809 11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.106 -11.285 10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.485 -10.156 11.696 1.00 0.00 H new ATOM 1482 N ALA A 99 -21.837 -11.642 13.196 1.00 0.00 N ATOM 1483 CA ALA A 99 -23.211 -11.175 13.363 1.00 0.00 C ATOM 1484 C ALA A 99 -24.165 -12.329 13.618 1.00 0.00 C ATOM 1485 O ALA A 99 -25.223 -12.158 14.224 1.00 0.00 O ATOM 1486 CB ALA A 99 -23.653 -10.370 12.150 1.00 0.00 C ATOM 0 H ALA A 99 -21.552 -11.788 12.228 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.237 -10.527 14.239 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.679 -10.031 12.293 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -22.999 -9.507 12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.598 -10.995 11.259 1.00 0.00 H new ATOM 1492 N GLN A 100 -23.780 -13.501 13.154 1.00 0.00 N ATOM 1493 CA GLN A 100 -24.590 -14.699 13.326 1.00 0.00 C ATOM 1494 C GLN A 100 -24.285 -15.375 14.659 1.00 0.00 C ATOM 1495 O GLN A 100 -25.193 -15.803 15.371 1.00 0.00 O ATOM 1496 CB GLN A 100 -24.351 -15.677 12.173 1.00 0.00 C ATOM 1497 CG GLN A 100 -25.199 -15.387 10.946 1.00 0.00 C ATOM 1498 CD GLN A 100 -25.946 -16.611 10.451 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -27.155 -16.736 10.647 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -25.226 -17.522 9.806 1.00 0.00 N ATOM 0 H GLN A 100 -22.906 -13.654 12.651 1.00 0.00 H new ATOM 0 HA GLN A 100 -25.638 -14.401 13.323 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -23.298 -15.645 11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -24.559 -16.690 12.517 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -25.915 -14.600 11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -24.560 -15.009 10.148 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -24.226 -17.377 9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -25.673 -18.367 9.450 1.00 0.00 H new ATOM 1509 N LEU A 101 -22.999 -15.469 14.989 1.00 0.00 N ATOM 1510 CA LEU A 101 -22.568 -16.094 16.233 1.00 0.00 C ATOM 1511 C LEU A 101 -23.259 -15.443 17.423 1.00 0.00 C ATOM 1512 O LEU A 101 -23.776 -16.125 18.307 1.00 0.00 O ATOM 1513 CB LEU A 101 -21.048 -15.977 16.397 1.00 0.00 C ATOM 1514 CG LEU A 101 -20.227 -17.125 15.800 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -18.778 -17.039 16.256 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -20.826 -18.476 16.171 1.00 0.00 C ATOM 0 H LEU A 101 -22.237 -15.119 14.409 1.00 0.00 H new ATOM 0 HA LEU A 101 -22.841 -17.148 16.193 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -20.722 -15.044 15.938 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -20.820 -15.906 17.460 1.00 0.00 H new ATOM 0 HG LEU A 101 -20.254 -17.031 14.714 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.211 -17.862 15.822 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.350 -16.091 15.930 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -18.734 -17.102 17.343 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -20.224 -19.273 15.735 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -20.838 -18.583 17.256 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -21.845 -18.540 15.788 1.00 0.00 H new ATOM 1528 N THR A 102 -23.268 -14.117 17.431 1.00 0.00 N ATOM 1529 CA THR A 102 -23.904 -13.374 18.505 1.00 0.00 C ATOM 1530 C THR A 102 -25.403 -13.605 18.474 1.00 0.00 C ATOM 1531 O THR A 102 -26.046 -13.736 19.516 1.00 0.00 O ATOM 1532 CB THR A 102 -23.606 -11.882 18.376 1.00 0.00 C ATOM 1533 OG1 THR A 102 -23.236 -11.554 17.049 1.00 0.00 O ATOM 1534 CG2 THR A 102 -22.498 -11.424 19.290 1.00 0.00 C ATOM 0 H THR A 102 -22.843 -13.537 16.707 1.00 0.00 H new ATOM 0 HA THR A 102 -23.504 -13.727 19.456 1.00 0.00 H new ATOM 0 HB THR A 102 -24.528 -11.374 18.659 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.276 -11.712 16.928 1.00 0.00 H new ATOM 0 HG21 THR A 102 -22.332 -10.355 19.153 1.00 0.00 H new ATOM 0 HG22 THR A 102 -22.777 -11.618 20.326 1.00 0.00 H new ATOM 0 HG23 THR A 102 -21.583 -11.967 19.053 1.00 0.00 H new ATOM 1542 N GLU A 103 -25.953 -13.656 17.268 1.00 0.00 N ATOM 1543 CA GLU A 103 -27.379 -13.872 17.104 1.00 0.00 C ATOM 1544 C GLU A 103 -27.788 -15.259 17.587 1.00 0.00 C ATOM 1545 O GLU A 103 -28.969 -15.526 17.812 1.00 0.00 O ATOM 1546 CB GLU A 103 -27.790 -13.674 15.642 1.00 0.00 C ATOM 1547 CG GLU A 103 -28.562 -12.387 15.396 1.00 0.00 C ATOM 1548 CD GLU A 103 -29.972 -12.637 14.898 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -30.756 -13.276 15.632 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -30.293 -12.194 13.776 1.00 0.00 O ATOM 0 H GLU A 103 -25.435 -13.551 16.396 1.00 0.00 H new ATOM 0 HA GLU A 103 -27.899 -13.135 17.716 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -26.896 -13.677 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -28.401 -14.520 15.327 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -28.604 -11.811 16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -28.026 -11.780 14.667 1.00 0.00 H new ATOM 1557 N ARG A 104 -26.807 -16.134 17.755 1.00 0.00 N ATOM 1558 CA ARG A 104 -27.068 -17.493 18.223 1.00 0.00 C ATOM 1559 C ARG A 104 -26.587 -17.680 19.662 1.00 0.00 C ATOM 1560 O ARG A 104 -26.961 -18.645 20.328 1.00 0.00 O ATOM 1561 CB ARG A 104 -26.395 -18.517 17.306 1.00 0.00 C ATOM 1562 CG ARG A 104 -24.885 -18.376 17.237 1.00 0.00 C ATOM 1563 CD ARG A 104 -24.256 -19.503 16.435 1.00 0.00 C ATOM 1564 NE ARG A 104 -23.773 -20.583 17.293 1.00 0.00 N ATOM 1565 CZ ARG A 104 -23.357 -21.762 16.837 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -23.363 -22.017 15.534 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -22.935 -22.689 17.686 1.00 0.00 N ATOM 0 H ARG A 104 -25.824 -15.930 17.575 1.00 0.00 H new ATOM 0 HA ARG A 104 -28.146 -17.653 18.198 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -26.642 -19.520 17.654 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -26.806 -18.418 16.302 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -24.628 -17.418 16.784 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -24.473 -18.372 18.246 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -24.988 -19.899 15.731 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.427 -19.110 15.846 1.00 0.00 H new ATOM 0 HE ARG A 104 -23.754 -20.424 18.300 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.688 -21.308 14.877 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -23.043 -22.922 15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -22.929 -22.498 18.688 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -22.616 -23.593 17.337 1.00 0.00 H new ATOM 1581 N GLY A 105 -25.760 -16.751 20.138 1.00 0.00 N ATOM 1582 CA GLY A 105 -25.252 -16.834 21.495 1.00 0.00 C ATOM 1583 C GLY A 105 -24.149 -17.862 21.648 1.00 0.00 C ATOM 1584 O GLY A 105 -24.402 -19.000 22.044 1.00 0.00 O ATOM 0 H GLY A 105 -25.434 -15.943 19.607 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -24.876 -15.857 21.798 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -26.071 -17.083 22.170 1.00 0.00 H new ATOM 1588 N ILE A 106 -22.921 -17.462 21.333 1.00 0.00 N ATOM 1589 CA ILE A 106 -21.775 -18.360 21.440 1.00 0.00 C ATOM 1590 C ILE A 106 -20.666 -17.754 22.300 1.00 0.00 C ATOM 1591 O ILE A 106 -20.021 -18.455 23.078 1.00 0.00 O ATOM 1592 CB ILE A 106 -21.204 -18.710 20.052 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -20.120 -19.783 20.177 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -20.650 -17.466 19.373 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -19.870 -20.542 18.892 1.00 0.00 C ATOM 0 H ILE A 106 -22.694 -16.524 21.002 1.00 0.00 H new ATOM 0 HA ILE A 106 -22.136 -19.271 21.918 1.00 0.00 H new ATOM 0 HB ILE A 106 -22.011 -19.105 19.435 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -19.191 -19.313 20.499 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -20.407 -20.489 20.956 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -20.251 -17.733 18.394 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -21.447 -16.732 19.252 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -19.855 -17.041 19.985 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -19.090 -21.286 19.055 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -20.787 -21.041 18.580 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -19.552 -19.847 18.115 1.00 0.00 H new ATOM 1607 N THR A 107 -20.444 -16.450 22.148 1.00 0.00 N ATOM 1608 CA THR A 107 -19.407 -15.754 22.905 1.00 0.00 C ATOM 1609 C THR A 107 -18.020 -16.151 22.408 1.00 0.00 C ATOM 1610 O THR A 107 -17.408 -17.086 22.925 1.00 0.00 O ATOM 1611 CB THR A 107 -19.533 -16.057 24.401 1.00 0.00 C ATOM 1612 OG1 THR A 107 -20.891 -16.035 24.803 1.00 0.00 O ATOM 1613 CG2 THR A 107 -18.779 -15.079 25.275 1.00 0.00 C ATOM 0 H THR A 107 -20.969 -15.854 21.507 1.00 0.00 H new ATOM 0 HA THR A 107 -19.541 -14.683 22.753 1.00 0.00 H new ATOM 0 HB THR A 107 -19.097 -17.047 24.534 1.00 0.00 H new ATOM 0 HG1 THR A 107 -20.952 -16.232 25.761 1.00 0.00 H new ATOM 0 HG21 THR A 107 -18.910 -15.351 26.322 1.00 0.00 H new ATOM 0 HG22 THR A 107 -17.719 -15.108 25.023 1.00 0.00 H new ATOM 0 HG23 THR A 107 -19.164 -14.073 25.111 1.00 0.00 H new ATOM 1621 N PHE A 108 -17.533 -15.436 21.399 1.00 0.00 N ATOM 1622 CA PHE A 108 -16.221 -15.715 20.826 1.00 0.00 C ATOM 1623 C PHE A 108 -15.270 -14.540 21.039 1.00 0.00 C ATOM 1624 O PHE A 108 -15.570 -13.409 20.658 1.00 0.00 O ATOM 1625 CB PHE A 108 -16.349 -16.021 19.331 1.00 0.00 C ATOM 1626 CG PHE A 108 -16.739 -14.831 18.499 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -18.031 -14.328 18.546 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -15.814 -14.215 17.672 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -18.391 -13.234 17.781 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -16.169 -13.120 16.906 1.00 0.00 C ATOM 1631 CZ PHE A 108 -17.459 -12.630 16.961 1.00 0.00 C ATOM 0 H PHE A 108 -18.027 -14.659 20.961 1.00 0.00 H new ATOM 0 HA PHE A 108 -15.809 -16.587 21.334 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -15.399 -16.411 18.967 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -17.091 -16.808 19.193 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -18.763 -14.796 19.187 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.804 -14.594 17.625 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -19.400 -12.852 17.825 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -15.438 -12.648 16.265 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.738 -11.775 16.363 1.00 0.00 H new ATOM 1641 N LYS A 109 -14.121 -14.818 21.648 1.00 0.00 N ATOM 1642 CA LYS A 109 -13.126 -13.784 21.909 1.00 0.00 C ATOM 1643 C LYS A 109 -11.875 -14.377 22.548 1.00 0.00 C ATOM 1644 O LYS A 109 -11.263 -13.764 23.423 1.00 0.00 O ATOM 1645 CB LYS A 109 -13.710 -12.699 22.817 1.00 0.00 C ATOM 1646 CG LYS A 109 -12.925 -11.397 22.790 1.00 0.00 C ATOM 1647 CD LYS A 109 -13.333 -10.475 23.929 1.00 0.00 C ATOM 1648 CE LYS A 109 -12.120 -9.872 24.622 1.00 0.00 C ATOM 1649 NZ LYS A 109 -12.298 -9.809 26.099 1.00 0.00 N ATOM 0 H LYS A 109 -13.857 -15.749 21.969 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.847 -13.338 20.954 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.739 -12.500 22.516 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.744 -13.072 23.840 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.859 -11.613 22.859 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.087 -10.893 21.837 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.967 -9.677 23.543 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.928 -11.032 24.653 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.236 -10.465 24.388 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.942 -8.869 24.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.450 -9.392 26.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.126 -9.222 26.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.442 -10.769 26.473 1.00 0.00 H new ATOM 1663 N GLN A 110 -11.498 -15.574 22.108 1.00 0.00 N ATOM 1664 CA GLN A 110 -10.317 -16.244 22.644 1.00 0.00 C ATOM 1665 C GLN A 110 -9.966 -17.487 21.830 1.00 0.00 C ATOM 1666 O GLN A 110 -9.420 -18.452 22.365 1.00 0.00 O ATOM 1667 CB GLN A 110 -10.545 -16.628 24.106 1.00 0.00 C ATOM 1668 CG GLN A 110 -11.691 -17.607 24.305 1.00 0.00 C ATOM 1669 CD GLN A 110 -11.540 -18.433 25.567 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -10.427 -18.668 26.039 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -12.661 -18.879 26.121 1.00 0.00 N ATOM 0 H GLN A 110 -11.991 -16.098 21.385 1.00 0.00 H new ATOM 0 HA GLN A 110 -9.481 -15.548 22.580 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.630 -17.066 24.505 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.744 -15.725 24.683 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.631 -17.057 24.346 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.749 -18.273 23.444 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.562 -18.660 25.696 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.621 -19.440 26.972 1.00 0.00 H new ATOM 1680 N SER A 111 -10.277 -17.458 20.536 1.00 0.00 N ATOM 1681 CA SER A 111 -9.987 -18.584 19.652 1.00 0.00 C ATOM 1682 C SER A 111 -10.471 -18.302 18.235 1.00 0.00 C ATOM 1683 O SER A 111 -9.676 -17.990 17.349 1.00 0.00 O ATOM 1684 CB SER A 111 -10.640 -19.865 20.180 1.00 0.00 C ATOM 1685 OG SER A 111 -12.050 -19.731 20.243 1.00 0.00 O ATOM 0 H SER A 111 -10.729 -16.668 20.077 1.00 0.00 H new ATOM 0 HA SER A 111 -8.906 -18.721 19.629 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.380 -20.703 19.533 1.00 0.00 H new ATOM 0 HB3 SER A 111 -10.249 -20.094 21.171 1.00 0.00 H new ATOM 0 HG SER A 111 -12.443 -20.563 20.581 1.00 0.00 H new ATOM 1691 N ALA A 112 -11.780 -18.411 18.025 1.00 0.00 N ATOM 1692 CA ALA A 112 -12.365 -18.164 16.714 1.00 0.00 C ATOM 1693 C ALA A 112 -12.167 -16.711 16.300 1.00 0.00 C ATOM 1694 O ALA A 112 -13.068 -15.885 16.444 1.00 0.00 O ATOM 1695 CB ALA A 112 -13.845 -18.516 16.721 1.00 0.00 C ATOM 0 H ALA A 112 -12.454 -18.669 18.746 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.858 -18.799 15.987 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -14.269 -18.326 15.735 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.967 -19.570 16.972 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.361 -17.905 17.461 1.00 0.00 H new ATOM 1701 N THR A 113 -10.978 -16.406 15.791 1.00 0.00 N ATOM 1702 CA THR A 113 -10.658 -15.050 15.364 1.00 0.00 C ATOM 1703 C THR A 113 -11.459 -14.653 14.129 1.00 0.00 C ATOM 1704 O THR A 113 -12.380 -13.841 14.217 1.00 0.00 O ATOM 1705 CB THR A 113 -9.162 -14.919 15.084 1.00 0.00 C ATOM 1706 OG1 THR A 113 -8.429 -15.906 15.788 1.00 0.00 O ATOM 1707 CG2 THR A 113 -8.608 -13.569 15.474 1.00 0.00 C ATOM 0 H THR A 113 -10.222 -17.079 15.665 1.00 0.00 H new ATOM 0 HA THR A 113 -10.929 -14.374 16.175 1.00 0.00 H new ATOM 0 HB THR A 113 -9.053 -15.047 14.007 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.332 -16.703 15.227 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.541 -13.535 15.252 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.121 -12.789 14.911 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.762 -13.407 16.541 1.00 0.00 H new ATOM 1715 N LYS A 114 -11.108 -15.223 12.980 1.00 0.00 N ATOM 1716 CA LYS A 114 -11.810 -14.910 11.741 1.00 0.00 C ATOM 1717 C LYS A 114 -11.884 -16.119 10.822 1.00 0.00 C ATOM 1718 O LYS A 114 -12.972 -16.551 10.440 1.00 0.00 O ATOM 1719 CB LYS A 114 -11.139 -13.737 11.017 1.00 0.00 C ATOM 1720 CG LYS A 114 -9.661 -13.573 11.339 1.00 0.00 C ATOM 1721 CD LYS A 114 -8.979 -12.626 10.365 1.00 0.00 C ATOM 1722 CE LYS A 114 -8.928 -13.213 8.963 1.00 0.00 C ATOM 1723 NZ LYS A 114 -8.491 -14.637 8.973 1.00 0.00 N ATOM 0 H LYS A 114 -10.349 -15.897 12.882 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.828 -14.624 12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.253 -13.875 9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.661 -12.816 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.549 -13.194 12.355 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.170 -14.546 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.514 -11.676 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.967 -12.414 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.913 -13.139 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.244 -12.628 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.006 -14.858 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.840 -14.795 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.321 -15.254 9.078 1.00 0.00 H new ATOM 1737 N ALA A 115 -10.733 -16.668 10.473 1.00 0.00 N ATOM 1738 CA ALA A 115 -10.691 -17.832 9.603 1.00 0.00 C ATOM 1739 C ALA A 115 -11.276 -19.047 10.306 1.00 0.00 C ATOM 1740 O ALA A 115 -11.815 -19.950 9.667 1.00 0.00 O ATOM 1741 CB ALA A 115 -9.264 -18.109 9.153 1.00 0.00 C ATOM 0 H ALA A 115 -9.820 -16.329 10.776 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.296 -17.624 8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.251 -18.984 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.880 -17.246 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.637 -18.296 10.025 1.00 0.00 H new ATOM 1747 N GLU A 116 -11.171 -19.058 11.629 1.00 0.00 N ATOM 1748 CA GLU A 116 -11.697 -20.157 12.427 1.00 0.00 C ATOM 1749 C GLU A 116 -13.169 -19.941 12.744 1.00 0.00 C ATOM 1750 O GLU A 116 -13.955 -20.886 12.777 1.00 0.00 O ATOM 1751 CB GLU A 116 -10.898 -20.309 13.721 1.00 0.00 C ATOM 1752 CG GLU A 116 -9.409 -20.517 13.496 1.00 0.00 C ATOM 1753 CD GLU A 116 -9.079 -21.923 13.036 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -8.979 -22.821 13.897 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -8.922 -22.126 11.813 1.00 0.00 O ATOM 0 H GLU A 116 -10.726 -18.318 12.172 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.601 -21.073 11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.044 -19.420 14.335 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.293 -21.154 14.285 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.055 -19.803 12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.873 -20.306 14.421 1.00 0.00 H new ATOM 1762 N LEU A 117 -13.530 -18.687 12.984 1.00 0.00 N ATOM 1763 CA LEU A 117 -14.905 -18.329 13.310 1.00 0.00 C ATOM 1764 C LEU A 117 -15.810 -18.510 12.105 1.00 0.00 C ATOM 1765 O LEU A 117 -16.935 -18.994 12.227 1.00 0.00 O ATOM 1766 CB LEU A 117 -14.949 -16.881 13.835 1.00 0.00 C ATOM 1767 CG LEU A 117 -15.920 -15.915 13.145 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -17.061 -15.570 14.082 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -15.186 -14.656 12.712 1.00 0.00 C ATOM 0 H LEU A 117 -12.886 -17.897 12.959 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.273 -18.993 14.092 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.201 -16.913 14.895 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.945 -16.463 13.758 1.00 0.00 H new ATOM 0 HG LEU A 117 -16.331 -16.397 12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -17.746 -14.884 13.584 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -17.595 -16.480 14.356 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.664 -15.098 14.981 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.885 -13.977 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.756 -14.167 13.586 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.390 -14.920 12.016 1.00 0.00 H new ATOM 1781 N ILE A 118 -15.313 -18.123 10.945 1.00 0.00 N ATOM 1782 CA ILE A 118 -16.081 -18.248 9.724 1.00 0.00 C ATOM 1783 C ILE A 118 -16.218 -19.716 9.323 1.00 0.00 C ATOM 1784 O ILE A 118 -17.215 -20.115 8.723 1.00 0.00 O ATOM 1785 CB ILE A 118 -15.447 -17.435 8.575 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -14.130 -18.066 8.111 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -15.216 -15.994 9.010 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -14.130 -18.443 6.648 1.00 0.00 C ATOM 0 H ILE A 118 -14.383 -17.721 10.824 1.00 0.00 H new ATOM 0 HA ILE A 118 -17.075 -17.842 9.915 1.00 0.00 H new ATOM 0 HB ILE A 118 -16.141 -17.444 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -13.315 -17.367 8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -13.931 -18.956 8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -14.769 -15.433 8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -16.168 -15.539 9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -14.546 -15.976 9.869 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -13.168 -18.884 6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -14.924 -19.165 6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -14.298 -17.552 6.043 1.00 0.00 H new ATOM 1800 N ALA A 119 -15.210 -20.514 9.671 1.00 0.00 N ATOM 1801 CA ALA A 119 -15.216 -21.938 9.361 1.00 0.00 C ATOM 1802 C ALA A 119 -15.942 -22.738 10.439 1.00 0.00 C ATOM 1803 O ALA A 119 -16.550 -23.770 10.156 1.00 0.00 O ATOM 1804 CB ALA A 119 -13.792 -22.445 9.194 1.00 0.00 C ATOM 0 H ALA A 119 -14.378 -20.196 10.169 1.00 0.00 H new ATOM 0 HA ALA A 119 -15.754 -22.076 8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -13.810 -23.510 8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.307 -21.905 8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -13.238 -22.284 10.119 1.00 0.00 H new ATOM 1810 N LEU A 120 -15.864 -22.260 11.680 1.00 0.00 N ATOM 1811 CA LEU A 120 -16.505 -22.938 12.805 1.00 0.00 C ATOM 1812 C LEU A 120 -17.990 -23.162 12.544 1.00 0.00 C ATOM 1813 O LEU A 120 -18.525 -24.232 12.836 1.00 0.00 O ATOM 1814 CB LEU A 120 -16.321 -22.130 14.094 1.00 0.00 C ATOM 1815 CG LEU A 120 -15.575 -22.858 15.214 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -14.255 -23.416 14.705 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -15.341 -21.925 16.393 1.00 0.00 C ATOM 0 H LEU A 120 -15.364 -21.407 11.931 1.00 0.00 H new ATOM 0 HA LEU A 120 -16.026 -23.910 12.920 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -15.782 -21.213 13.856 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -17.303 -21.836 14.464 1.00 0.00 H new ATOM 0 HG LEU A 120 -16.192 -23.691 15.551 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.740 -23.930 15.517 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -14.446 -24.119 13.894 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -13.632 -22.600 14.339 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -14.809 -22.460 17.180 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.746 -21.071 16.069 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -16.300 -21.575 16.776 1.00 0.00 H new ATOM 1829 N PHE A 121 -18.653 -22.147 11.998 1.00 0.00 N ATOM 1830 CA PHE A 121 -20.084 -22.237 11.705 1.00 0.00 C ATOM 1831 C PHE A 121 -20.435 -23.554 11.014 1.00 0.00 C ATOM 1832 O PHE A 121 -21.555 -24.049 11.138 1.00 0.00 O ATOM 1833 CB PHE A 121 -20.523 -21.062 10.834 1.00 0.00 C ATOM 1834 CG PHE A 121 -21.217 -19.978 11.604 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -22.540 -20.118 11.991 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -20.546 -18.817 11.938 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -23.177 -19.118 12.696 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -21.178 -17.814 12.639 1.00 0.00 C ATOM 1839 CZ PHE A 121 -22.495 -17.964 13.020 1.00 0.00 C ATOM 0 H PHE A 121 -18.226 -21.255 11.749 1.00 0.00 H new ATOM 0 HA PHE A 121 -20.616 -22.201 12.655 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -19.649 -20.642 10.336 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -21.190 -21.427 10.053 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -23.078 -21.020 11.738 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -19.514 -18.695 11.646 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -24.208 -19.239 12.994 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -20.643 -16.910 12.890 1.00 0.00 H new ATOM 0 HZ PHE A 121 -22.991 -17.179 13.571 1.00 0.00 H new