USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 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= -0.574 X(o=-1.7,f=-2.2) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.13 X(o=-1.7,f=-2.2) USER MOD Single : A 7 THR OG1 : rot 13:sc= 0.833 USER MOD Single : A 9 CYS SG : rot 33:sc= 0.152 USER MOD Single : A 13 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.0483 K(o=0.048,f=-2.2!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0445 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 :FLIP amide:sc= -12.5! C(o=-17!,f=-12!) USER MOD Single : A 44 GLN : amide:sc= -0.911 K(o=-0.91,f=-4.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 36:sc= 0.884 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= -1.63 (180deg=-1.64) USER MOD Single : A 102 THR OG1 : rot -83:sc= -0.0485 USER MOD Single : A 107 THR OG1 : rot 25:sc= 0.847 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0232 K(o=-0.023,f=-0.86) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 81:sc= 0.0735 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.861 1.199 13.416 1.00 0.00 N ATOM 91 CA THR A 7 16.461 1.633 12.083 1.00 0.00 C ATOM 92 C THR A 7 16.465 0.458 11.113 1.00 0.00 C ATOM 93 O THR A 7 17.389 -0.355 11.113 1.00 0.00 O ATOM 94 CB THR A 7 17.391 2.737 11.581 1.00 0.00 C ATOM 95 OG1 THR A 7 18.415 3.005 12.523 1.00 0.00 O ATOM 96 CG2 THR A 7 16.664 4.030 11.310 1.00 0.00 C ATOM 0 HA THR A 7 15.447 2.030 12.141 1.00 0.00 H new ATOM 0 HB THR A 7 17.813 2.365 10.648 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.432 2.295 13.199 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.373 4.779 10.956 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.900 3.866 10.550 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.193 4.382 12.228 1.00 0.00 H new ATOM 104 N PHE A 8 15.424 0.368 10.294 1.00 0.00 N ATOM 105 CA PHE A 8 15.315 -0.722 9.329 1.00 0.00 C ATOM 106 C PHE A 8 14.656 -0.288 8.024 1.00 0.00 C ATOM 107 O PHE A 8 13.744 0.537 8.011 1.00 0.00 O ATOM 108 CB PHE A 8 14.523 -1.891 9.922 1.00 0.00 C ATOM 109 CG PHE A 8 13.334 -1.486 10.757 1.00 0.00 C ATOM 110 CD1 PHE A 8 12.697 -0.263 10.568 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.852 -2.338 11.736 1.00 0.00 C ATOM 112 CE1 PHE A 8 11.610 0.093 11.341 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.763 -1.986 12.511 1.00 0.00 C ATOM 114 CZ PHE A 8 11.143 -0.769 12.315 1.00 0.00 C ATOM 0 H PHE A 8 14.648 1.030 10.277 1.00 0.00 H new ATOM 0 HA PHE A 8 16.335 -1.034 9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.178 -2.529 9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.193 -2.492 10.536 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.057 0.415 9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.334 -3.291 11.896 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.125 1.045 11.185 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.398 -2.663 13.269 1.00 0.00 H new ATOM 0 HZ PHE A 8 10.294 -0.491 12.922 1.00 0.00 H new ATOM 124 N CYS A 9 15.099 -0.890 6.932 1.00 0.00 N ATOM 125 CA CYS A 9 14.530 -0.613 5.624 1.00 0.00 C ATOM 126 C CYS A 9 13.493 -1.688 5.307 1.00 0.00 C ATOM 127 O CYS A 9 13.817 -2.875 5.276 1.00 0.00 O ATOM 128 CB CYS A 9 15.622 -0.598 4.553 1.00 0.00 C ATOM 129 SG CYS A 9 16.641 -2.092 4.519 1.00 0.00 S ATOM 0 H CYS A 9 15.854 -1.576 6.926 1.00 0.00 H new ATOM 0 HA CYS A 9 14.057 0.369 5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.157 -0.466 3.576 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.267 0.265 4.718 1.00 0.00 H new ATOM 0 HG CYS A 9 15.916 -3.119 4.849 1.00 0.00 H new ATOM 135 N VAL A 10 12.246 -1.283 5.103 1.00 0.00 N ATOM 136 CA VAL A 10 11.178 -2.240 4.826 1.00 0.00 C ATOM 137 C VAL A 10 10.701 -2.146 3.386 1.00 0.00 C ATOM 138 O VAL A 10 10.765 -1.092 2.764 1.00 0.00 O ATOM 139 CB VAL A 10 9.974 -2.030 5.779 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.787 -1.388 5.065 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.567 -3.345 6.418 1.00 0.00 C ATOM 0 H VAL A 10 11.949 -0.307 5.123 1.00 0.00 H new ATOM 0 HA VAL A 10 11.597 -3.233 4.992 1.00 0.00 H new ATOM 0 HB VAL A 10 10.292 -1.342 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.965 -1.259 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.082 -0.416 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.465 -2.030 4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.720 -3.179 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.284 -4.055 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.404 -3.747 6.989 1.00 0.00 H new ATOM 151 N VAL A 11 10.213 -3.258 2.865 1.00 0.00 N ATOM 152 CA VAL A 11 9.720 -3.301 1.504 1.00 0.00 C ATOM 153 C VAL A 11 8.386 -4.040 1.426 1.00 0.00 C ATOM 154 O VAL A 11 8.256 -5.166 1.905 1.00 0.00 O ATOM 155 CB VAL A 11 10.756 -3.953 0.581 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.139 -5.326 1.099 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.250 -4.022 -0.854 1.00 0.00 C ATOM 0 H VAL A 11 10.148 -4.144 3.367 1.00 0.00 H new ATOM 0 HA VAL A 11 9.554 -2.277 1.170 1.00 0.00 H new ATOM 0 HB VAL A 11 11.651 -3.331 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.875 -5.774 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.564 -5.232 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.253 -5.960 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.007 -4.489 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.334 -4.612 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.047 -3.014 -1.217 1.00 0.00 H new ATOM 167 N VAL A 12 7.393 -3.377 0.840 1.00 0.00 N ATOM 168 CA VAL A 12 6.053 -3.943 0.717 1.00 0.00 C ATOM 169 C VAL A 12 5.829 -4.612 -0.632 1.00 0.00 C ATOM 170 O VAL A 12 5.620 -3.939 -1.639 1.00 0.00 O ATOM 171 CB VAL A 12 4.980 -2.853 0.897 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.891 -2.435 2.352 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.282 -1.651 0.013 1.00 0.00 C ATOM 0 H VAL A 12 7.492 -2.443 0.441 1.00 0.00 H new ATOM 0 HA VAL A 12 5.968 -4.695 1.502 1.00 0.00 H new ATOM 0 HB VAL A 12 4.017 -3.265 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.128 -1.664 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.626 -3.298 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.854 -2.042 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.512 -0.892 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.254 -1.237 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.297 -1.962 -1.032 1.00 0.00 H new ATOM 183 N GLN A 13 5.841 -5.940 -0.640 1.00 0.00 N ATOM 184 CA GLN A 13 5.608 -6.692 -1.866 1.00 0.00 C ATOM 185 C GLN A 13 4.114 -6.947 -2.038 1.00 0.00 C ATOM 186 O GLN A 13 3.531 -7.764 -1.325 1.00 0.00 O ATOM 187 CB GLN A 13 6.367 -8.019 -1.834 1.00 0.00 C ATOM 188 CG GLN A 13 6.734 -8.540 -3.214 1.00 0.00 C ATOM 189 CD GLN A 13 8.016 -9.349 -3.209 1.00 0.00 C ATOM 190 OE1 GLN A 13 8.004 -10.553 -2.952 1.00 0.00 O ATOM 191 NE2 GLN A 13 9.133 -8.690 -3.495 1.00 0.00 N ATOM 0 H GLN A 13 6.009 -6.516 0.185 1.00 0.00 H new ATOM 0 HA GLN A 13 5.972 -6.107 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.277 -7.894 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.758 -8.765 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.920 -9.158 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.842 -7.699 -3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.097 -7.692 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.026 -9.182 -3.508 1.00 0.00 H new ATOM 200 N ASN A 14 3.493 -6.236 -2.974 1.00 0.00 N ATOM 201 CA ASN A 14 2.060 -6.389 -3.213 1.00 0.00 C ATOM 202 C ASN A 14 1.775 -7.312 -4.388 1.00 0.00 C ATOM 203 O ASN A 14 2.484 -7.309 -5.393 1.00 0.00 O ATOM 204 CB ASN A 14 1.384 -5.036 -3.471 1.00 0.00 C ATOM 205 CG ASN A 14 2.277 -4.059 -4.205 1.00 0.00 C ATOM 206 OD1 ASN A 14 3.293 -3.609 -3.675 1.00 0.00 O ATOM 207 ND2 ASN A 14 1.901 -3.728 -5.434 1.00 0.00 N ATOM 0 H ASN A 14 3.954 -5.553 -3.576 1.00 0.00 H new ATOM 0 HA ASN A 14 1.648 -6.832 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.475 -5.195 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.082 -4.599 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.462 -3.075 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.051 -4.127 -5.832 1.00 0.00 H new ATOM 482 N ASP A 31 7.096 -4.176 -5.430 1.00 0.00 N ATOM 483 CA ASP A 31 7.565 -3.902 -4.077 1.00 0.00 C ATOM 484 C ASP A 31 8.378 -2.613 -4.018 1.00 0.00 C ATOM 485 O ASP A 31 9.150 -2.310 -4.928 1.00 0.00 O ATOM 486 CB ASP A 31 8.401 -5.071 -3.559 1.00 0.00 C ATOM 487 CG ASP A 31 9.647 -5.305 -4.390 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.684 -4.840 -5.549 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.587 -5.953 -3.882 1.00 0.00 O ATOM 0 HA ASP A 31 6.688 -3.777 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.688 -4.879 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.793 -5.976 -3.558 1.00 0.00 H new ATOM 494 N ASN A 32 8.204 -1.863 -2.932 1.00 0.00 N ATOM 495 CA ASN A 32 8.927 -0.609 -2.742 1.00 0.00 C ATOM 496 C ASN A 32 9.732 -0.660 -1.450 1.00 0.00 C ATOM 497 O ASN A 32 9.238 -1.128 -0.428 1.00 0.00 O ATOM 498 CB ASN A 32 7.950 0.569 -2.701 1.00 0.00 C ATOM 499 CG ASN A 32 8.508 1.804 -3.382 1.00 0.00 C ATOM 500 OD1 ASN A 32 9.696 2.104 -3.273 1.00 0.00 O ATOM 501 ND2 ASN A 32 7.648 2.527 -4.089 1.00 0.00 N ATOM 0 H ASN A 32 7.569 -2.102 -2.171 1.00 0.00 H new ATOM 0 HA ASN A 32 9.609 -0.470 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.017 0.281 -3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.712 0.805 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.964 3.369 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.671 2.240 -4.152 1.00 0.00 H new ATOM 508 N SER A 33 10.975 -0.189 -1.496 1.00 0.00 N ATOM 509 CA SER A 33 11.829 -0.206 -0.315 1.00 0.00 C ATOM 510 C SER A 33 11.633 1.035 0.538 1.00 0.00 C ATOM 511 O SER A 33 11.399 2.133 0.032 1.00 0.00 O ATOM 512 CB SER A 33 13.302 -0.323 -0.697 1.00 0.00 C ATOM 513 OG SER A 33 13.562 0.308 -1.939 1.00 0.00 O ATOM 0 H SER A 33 11.409 0.205 -2.330 1.00 0.00 H new ATOM 0 HA SER A 33 11.538 -1.081 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.919 0.129 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.583 -1.375 -0.755 1.00 0.00 H new ATOM 0 HG SER A 33 14.513 0.219 -2.158 1.00 0.00 H new ATOM 519 N LEU A 34 11.740 0.839 1.841 1.00 0.00 N ATOM 520 CA LEU A 34 11.587 1.918 2.803 1.00 0.00 C ATOM 521 C LEU A 34 12.929 2.206 3.480 1.00 0.00 C ATOM 522 O LEU A 34 13.695 1.289 3.773 1.00 0.00 O ATOM 523 CB LEU A 34 10.503 1.537 3.834 1.00 0.00 C ATOM 524 CG LEU A 34 10.377 2.419 5.070 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.314 1.901 6.143 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.642 3.885 4.758 1.00 0.00 C ATOM 0 H LEU A 34 11.935 -0.070 2.261 1.00 0.00 H new ATOM 0 HA LEU A 34 11.269 2.828 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.540 1.530 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.696 0.517 4.165 1.00 0.00 H new ATOM 0 HG LEU A 34 9.350 2.369 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.231 2.526 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.047 0.875 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.340 1.929 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.541 4.475 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.652 3.996 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.923 4.235 4.017 1.00 0.00 H new ATOM 538 N ALA A 35 13.206 3.483 3.717 1.00 0.00 N ATOM 539 CA ALA A 35 14.441 3.910 4.348 1.00 0.00 C ATOM 540 C ALA A 35 14.451 3.514 5.811 1.00 0.00 C ATOM 541 O ALA A 35 13.409 3.275 6.405 1.00 0.00 O ATOM 542 CB ALA A 35 14.615 5.408 4.208 1.00 0.00 C ATOM 0 H ALA A 35 12.578 4.249 3.475 1.00 0.00 H new ATOM 0 HA ALA A 35 15.274 3.415 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.546 5.712 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.646 5.673 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.778 5.918 4.685 1.00 0.00 H new ATOM 548 N ALA A 36 15.631 3.416 6.384 1.00 0.00 N ATOM 549 CA ALA A 36 15.750 2.999 7.772 1.00 0.00 C ATOM 550 C ALA A 36 15.218 4.067 8.716 1.00 0.00 C ATOM 551 O ALA A 36 15.782 5.153 8.845 1.00 0.00 O ATOM 552 CB ALA A 36 17.199 2.674 8.101 1.00 0.00 C ATOM 0 H ALA A 36 16.516 3.616 5.919 1.00 0.00 H new ATOM 0 HA ALA A 36 15.147 2.102 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.275 2.363 9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.547 1.867 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.816 3.558 7.941 1.00 0.00 H new ATOM 558 N VAL A 37 14.103 3.726 9.363 1.00 0.00 N ATOM 559 CA VAL A 37 13.433 4.614 10.304 1.00 0.00 C ATOM 560 C VAL A 37 13.192 3.905 11.635 1.00 0.00 C ATOM 561 O VAL A 37 13.357 2.689 11.737 1.00 0.00 O ATOM 562 CB VAL A 37 12.077 5.095 9.743 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.545 6.276 10.537 1.00 0.00 C ATOM 564 CG2 VAL A 37 12.198 5.446 8.266 1.00 0.00 C ATOM 0 H VAL A 37 13.641 2.824 9.247 1.00 0.00 H new ATOM 0 HA VAL A 37 14.083 5.475 10.459 1.00 0.00 H new ATOM 0 HB VAL A 37 11.363 4.277 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.589 6.594 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.407 5.982 11.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.256 7.100 10.484 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.231 5.782 7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.933 6.241 8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.517 4.566 7.708 1.00 0.00 H new ATOM 574 N SER A 38 12.803 4.668 12.652 1.00 0.00 N ATOM 575 CA SER A 38 12.542 4.107 13.974 1.00 0.00 C ATOM 576 C SER A 38 11.531 2.963 13.908 1.00 0.00 C ATOM 577 O SER A 38 11.846 1.827 14.260 1.00 0.00 O ATOM 578 CB SER A 38 12.030 5.196 14.918 1.00 0.00 C ATOM 579 OG SER A 38 11.548 4.638 16.128 1.00 0.00 O ATOM 0 H SER A 38 12.662 5.676 12.586 1.00 0.00 H new ATOM 0 HA SER A 38 13.482 3.707 14.355 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.833 5.901 15.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.234 5.759 14.431 1.00 0.00 H new ATOM 0 HG SER A 38 11.228 5.355 16.714 1.00 0.00 H new ATOM 585 N GLU A 39 10.314 3.270 13.466 1.00 0.00 N ATOM 586 CA GLU A 39 9.262 2.258 13.371 1.00 0.00 C ATOM 587 C GLU A 39 8.081 2.720 12.511 1.00 0.00 C ATOM 588 O GLU A 39 7.260 1.904 12.093 1.00 0.00 O ATOM 589 CB GLU A 39 8.763 1.889 14.768 1.00 0.00 C ATOM 590 CG GLU A 39 7.924 0.622 14.797 1.00 0.00 C ATOM 591 CD GLU A 39 6.632 0.793 15.573 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.671 1.401 16.664 1.00 0.00 O ATOM 593 OE2 GLU A 39 5.581 0.320 15.090 1.00 0.00 O ATOM 0 H GLU A 39 10.032 4.204 13.170 1.00 0.00 H new ATOM 0 HA GLU A 39 9.701 1.386 12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.620 1.763 15.430 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.173 2.715 15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.692 0.321 13.775 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.507 -0.184 15.242 1.00 0.00 H new ATOM 600 N SER A 40 7.988 4.026 12.263 1.00 0.00 N ATOM 601 CA SER A 40 6.896 4.589 11.468 1.00 0.00 C ATOM 602 C SER A 40 6.583 3.739 10.234 1.00 0.00 C ATOM 603 O SER A 40 5.419 3.475 9.936 1.00 0.00 O ATOM 604 CB SER A 40 7.243 6.017 11.040 1.00 0.00 C ATOM 605 OG SER A 40 6.181 6.908 11.333 1.00 0.00 O ATOM 0 H SER A 40 8.658 4.716 12.602 1.00 0.00 H new ATOM 0 HA SER A 40 6.006 4.597 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.148 6.344 11.552 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.456 6.038 9.971 1.00 0.00 H new ATOM 0 HG SER A 40 6.427 7.814 11.052 1.00 0.00 H new ATOM 611 N GLN A 41 7.622 3.317 9.518 1.00 0.00 N ATOM 612 CA GLN A 41 7.442 2.505 8.314 1.00 0.00 C ATOM 613 C GLN A 41 6.587 1.276 8.587 1.00 0.00 C ATOM 614 O GLN A 41 5.676 0.960 7.823 1.00 0.00 O ATOM 615 CB GLN A 41 8.793 2.072 7.749 1.00 0.00 C ATOM 616 CG GLN A 41 9.657 1.266 8.714 1.00 0.00 C ATOM 617 CD GLN A 41 9.331 -0.226 8.754 1.00 0.00 C ATOM 618 OE1 GLN A 41 8.464 -0.696 7.860 1.00 0.00 O flip ATOM 619 NE2 GLN A 41 9.860 -0.955 9.590 1.00 0.00 N flip ATOM 0 H GLN A 41 8.594 3.522 9.748 1.00 0.00 H new ATOM 0 HA GLN A 41 6.926 3.126 7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.623 1.477 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.345 2.960 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.704 1.390 8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.542 1.678 9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.521 -0.565 10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.638 -1.950 9.612 1.00 0.00 H new ATOM 628 N LEU A 42 6.902 0.575 9.667 1.00 0.00 N ATOM 629 CA LEU A 42 6.178 -0.636 10.024 1.00 0.00 C ATOM 630 C LEU A 42 4.690 -0.365 10.203 1.00 0.00 C ATOM 631 O LEU A 42 3.851 -1.109 9.698 1.00 0.00 O ATOM 632 CB LEU A 42 6.755 -1.243 11.305 1.00 0.00 C ATOM 633 CG LEU A 42 6.134 -2.576 11.728 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.828 -3.734 11.030 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.206 -2.740 13.238 1.00 0.00 C ATOM 0 H LEU A 42 7.653 0.824 10.310 1.00 0.00 H new ATOM 0 HA LEU A 42 6.296 -1.345 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.827 -1.386 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.629 -0.527 12.117 1.00 0.00 H new ATOM 0 HG LEU A 42 5.085 -2.578 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.373 -4.673 11.343 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.724 -3.623 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.885 -3.737 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.760 -3.693 13.522 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.248 -2.717 13.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.662 -1.927 13.719 1.00 0.00 H new ATOM 647 N ALA A 43 4.369 0.695 10.930 1.00 0.00 N ATOM 648 CA ALA A 43 2.980 1.048 11.179 1.00 0.00 C ATOM 649 C ALA A 43 2.350 1.739 9.974 1.00 0.00 C ATOM 650 O ALA A 43 1.141 1.652 9.764 1.00 0.00 O ATOM 651 CB ALA A 43 2.881 1.933 12.406 1.00 0.00 C ATOM 0 H ALA A 43 5.050 1.324 11.357 1.00 0.00 H new ATOM 0 HA ALA A 43 2.427 0.126 11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.837 2.192 12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.276 1.401 13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.459 2.843 12.246 1.00 0.00 H new ATOM 657 N GLN A 44 3.170 2.426 9.186 1.00 0.00 N ATOM 658 CA GLN A 44 2.673 3.126 8.009 1.00 0.00 C ATOM 659 C GLN A 44 2.108 2.139 6.993 1.00 0.00 C ATOM 660 O GLN A 44 0.988 2.302 6.507 1.00 0.00 O ATOM 661 CB GLN A 44 3.789 3.957 7.369 1.00 0.00 C ATOM 662 CG GLN A 44 3.571 5.457 7.483 1.00 0.00 C ATOM 663 CD GLN A 44 2.338 5.925 6.737 1.00 0.00 C ATOM 664 OE1 GLN A 44 1.216 5.538 7.064 1.00 0.00 O ATOM 665 NE2 GLN A 44 2.541 6.763 5.726 1.00 0.00 N ATOM 0 H GLN A 44 4.175 2.512 9.340 1.00 0.00 H new ATOM 0 HA GLN A 44 1.873 3.795 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.738 3.699 7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.872 3.689 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.480 5.728 8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.446 5.978 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.489 7.057 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.749 7.112 5.186 1.00 0.00 H new ATOM 674 N LEU A 45 2.894 1.118 6.674 1.00 0.00 N ATOM 675 CA LEU A 45 2.481 0.103 5.713 1.00 0.00 C ATOM 676 C LEU A 45 1.530 -0.908 6.345 1.00 0.00 C ATOM 677 O LEU A 45 0.619 -1.412 5.688 1.00 0.00 O ATOM 678 CB LEU A 45 3.711 -0.600 5.145 1.00 0.00 C ATOM 679 CG LEU A 45 4.804 0.348 4.655 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.047 -0.418 4.231 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.285 1.215 3.521 1.00 0.00 C ATOM 0 H LEU A 45 3.823 0.971 7.068 1.00 0.00 H new ATOM 0 HA LEU A 45 1.943 0.596 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.129 -1.253 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.401 -1.238 4.317 1.00 0.00 H new ATOM 0 HG LEU A 45 5.086 0.998 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.807 0.284 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.433 -0.984 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.794 -1.104 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.076 1.885 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.969 0.580 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.437 1.803 3.871 1.00 0.00 H new ATOM 692 N LYS A 46 1.746 -1.198 7.623 1.00 0.00 N ATOM 693 CA LYS A 46 0.902 -2.149 8.342 1.00 0.00 C ATOM 694 C LYS A 46 -0.430 -1.517 8.743 1.00 0.00 C ATOM 695 O LYS A 46 -1.344 -2.209 9.189 1.00 0.00 O ATOM 696 CB LYS A 46 1.623 -2.667 9.588 1.00 0.00 C ATOM 697 CG LYS A 46 0.978 -3.901 10.198 1.00 0.00 C ATOM 698 CD LYS A 46 1.944 -4.645 11.107 1.00 0.00 C ATOM 699 CE LYS A 46 2.323 -6.001 10.529 1.00 0.00 C ATOM 700 NZ LYS A 46 3.603 -6.512 11.096 1.00 0.00 N ATOM 0 H LYS A 46 2.495 -0.791 8.182 1.00 0.00 H new ATOM 0 HA LYS A 46 0.698 -2.983 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.656 -2.898 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.651 -1.875 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.095 -3.608 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.639 -4.566 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.843 -4.046 11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.490 -4.781 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.526 -6.717 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.413 -5.921 9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.824 -7.437 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.369 -5.842 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.510 -6.613 12.127 1.00 0.00 H new ATOM 714 N ALA A 47 -0.536 -0.198 8.584 1.00 0.00 N ATOM 715 CA ALA A 47 -1.758 0.518 8.933 1.00 0.00 C ATOM 716 C ALA A 47 -2.972 -0.083 8.229 1.00 0.00 C ATOM 717 O ALA A 47 -4.016 -0.294 8.846 1.00 0.00 O ATOM 718 CB ALA A 47 -1.622 1.992 8.584 1.00 0.00 C ATOM 0 H ALA A 47 0.209 0.394 8.216 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.911 0.420 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.541 2.515 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.787 2.421 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.441 2.097 7.514 1.00 0.00 H new ATOM 724 N ASP A 48 -2.827 -0.356 6.936 1.00 0.00 N ATOM 725 CA ASP A 48 -3.913 -0.931 6.151 1.00 0.00 C ATOM 726 C ASP A 48 -3.813 -2.456 6.120 1.00 0.00 C ATOM 727 O ASP A 48 -2.763 -3.008 5.793 1.00 0.00 O ATOM 728 CB ASP A 48 -3.888 -0.377 4.726 1.00 0.00 C ATOM 729 CG ASP A 48 -5.278 -0.096 4.191 1.00 0.00 C ATOM 730 OD1 ASP A 48 -6.121 0.407 4.963 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.523 -0.378 2.999 1.00 0.00 O ATOM 0 H ASP A 48 -1.969 -0.188 6.410 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.856 -0.656 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.302 0.542 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.387 -1.089 4.071 1.00 0.00 H new ATOM 736 N PRO A 49 -4.907 -3.163 6.464 1.00 0.00 N ATOM 737 CA PRO A 49 -4.927 -4.626 6.474 1.00 0.00 C ATOM 738 C PRO A 49 -5.099 -5.219 5.078 1.00 0.00 C ATOM 739 O PRO A 49 -6.214 -5.521 4.654 1.00 0.00 O ATOM 740 CB PRO A 49 -6.142 -4.942 7.342 1.00 0.00 C ATOM 741 CG PRO A 49 -7.073 -3.803 7.109 1.00 0.00 C ATOM 742 CD PRO A 49 -6.206 -2.592 6.875 1.00 0.00 C ATOM 0 HA PRO A 49 -3.992 -5.048 6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.597 -5.891 7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.868 -5.022 8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.715 -3.994 6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.727 -3.653 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.622 -1.946 6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.110 -1.988 7.777 1.00 0.00 H new ATOM 750 N ARG A 50 -3.986 -5.383 4.370 1.00 0.00 N ATOM 751 CA ARG A 50 -4.014 -5.943 3.023 1.00 0.00 C ATOM 752 C ARG A 50 -2.609 -6.317 2.561 1.00 0.00 C ATOM 753 O ARG A 50 -2.263 -7.497 2.486 1.00 0.00 O ATOM 754 CB ARG A 50 -4.644 -4.949 2.045 1.00 0.00 C ATOM 755 CG ARG A 50 -5.692 -5.573 1.139 1.00 0.00 C ATOM 756 CD ARG A 50 -6.999 -5.806 1.878 1.00 0.00 C ATOM 757 NE ARG A 50 -8.137 -5.888 0.966 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.389 -6.106 1.361 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.669 -6.264 2.650 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.366 -6.166 0.466 1.00 0.00 N ATOM 0 H ARG A 50 -3.055 -5.137 4.706 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.621 -6.848 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.100 -4.136 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.859 -4.509 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.868 -4.922 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.320 -6.520 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.930 -6.728 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.162 -4.997 2.589 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.962 -5.771 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.922 -6.218 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.631 -6.431 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.158 -6.045 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.326 -6.333 0.769 1.00 0.00 H new ATOM 774 N LEU A 51 -1.800 -5.307 2.254 1.00 0.00 N ATOM 775 CA LEU A 51 -0.433 -5.539 1.803 1.00 0.00 C ATOM 776 C LEU A 51 0.394 -6.189 2.908 1.00 0.00 C ATOM 777 O LEU A 51 -0.063 -6.312 4.045 1.00 0.00 O ATOM 778 CB LEU A 51 0.213 -4.224 1.361 1.00 0.00 C ATOM 779 CG LEU A 51 -0.275 -3.689 0.013 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.551 -2.880 0.188 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.808 -2.848 -0.647 1.00 0.00 C ATOM 0 H LEU A 51 -2.067 -4.324 2.309 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.464 -6.217 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.026 -3.469 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.293 -4.365 1.310 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.496 -4.537 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.882 -2.508 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.327 -3.513 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.360 -2.038 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.446 -2.475 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.059 -2.007 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.696 -3.459 -0.808 1.00 0.00 H new ATOM 793 N VAL A 52 1.605 -6.622 2.569 1.00 0.00 N ATOM 794 CA VAL A 52 2.479 -7.276 3.537 1.00 0.00 C ATOM 795 C VAL A 52 3.740 -6.461 3.807 1.00 0.00 C ATOM 796 O VAL A 52 4.651 -6.413 2.981 1.00 0.00 O ATOM 797 CB VAL A 52 2.903 -8.671 3.051 1.00 0.00 C ATOM 798 CG1 VAL A 52 3.490 -9.490 4.189 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.734 -9.401 2.404 1.00 0.00 C ATOM 0 H VAL A 52 2.002 -6.532 1.634 1.00 0.00 H new ATOM 0 HA VAL A 52 1.902 -7.362 4.458 1.00 0.00 H new ATOM 0 HB VAL A 52 3.678 -8.541 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.782 -10.472 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.365 -8.980 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.745 -9.606 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.060 -10.385 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.929 -9.513 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.375 -8.827 1.550 1.00 0.00 H new ATOM 809 N VAL A 53 3.794 -5.846 4.981 1.00 0.00 N ATOM 810 CA VAL A 53 4.955 -5.056 5.380 1.00 0.00 C ATOM 811 C VAL A 53 5.792 -5.831 6.391 1.00 0.00 C ATOM 812 O VAL A 53 5.366 -6.059 7.524 1.00 0.00 O ATOM 813 CB VAL A 53 4.546 -3.686 5.970 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.332 -3.823 6.875 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.699 -3.027 6.721 1.00 0.00 C ATOM 0 H VAL A 53 3.048 -5.878 5.675 1.00 0.00 H new ATOM 0 HA VAL A 53 5.547 -4.866 4.485 1.00 0.00 H new ATOM 0 HB VAL A 53 4.283 -3.040 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.065 -2.845 7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.494 -4.221 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.565 -4.501 7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.372 -2.067 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.015 -3.672 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.535 -2.870 6.039 1.00 0.00 H new ATOM 825 N GLN A 54 6.978 -6.244 5.966 1.00 0.00 N ATOM 826 CA GLN A 54 7.876 -7.011 6.826 1.00 0.00 C ATOM 827 C GLN A 54 9.263 -6.380 6.891 1.00 0.00 C ATOM 828 O GLN A 54 9.840 -6.020 5.866 1.00 0.00 O ATOM 829 CB GLN A 54 7.983 -8.453 6.323 1.00 0.00 C ATOM 830 CG GLN A 54 7.015 -9.406 7.005 1.00 0.00 C ATOM 831 CD GLN A 54 7.681 -10.243 8.079 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.393 -9.721 8.937 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.452 -11.551 8.039 1.00 0.00 N ATOM 0 H GLN A 54 7.343 -6.062 5.031 1.00 0.00 H new ATOM 0 HA GLN A 54 7.457 -7.007 7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.800 -8.469 5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.001 -8.809 6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.200 -8.834 7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.573 -10.065 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.855 -11.942 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.873 -12.164 8.737 1.00 0.00 H new ATOM 842 N ILE A 55 9.794 -6.264 8.107 1.00 0.00 N ATOM 843 CA ILE A 55 11.118 -5.685 8.322 1.00 0.00 C ATOM 844 C ILE A 55 12.205 -6.750 8.229 1.00 0.00 C ATOM 845 O ILE A 55 12.085 -7.828 8.812 1.00 0.00 O ATOM 846 CB ILE A 55 11.210 -4.996 9.698 1.00 0.00 C ATOM 847 CG1 ILE A 55 10.973 -6.008 10.822 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.210 -3.854 9.786 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.249 -6.596 11.386 1.00 0.00 C ATOM 0 H ILE A 55 9.325 -6.565 8.961 1.00 0.00 H new ATOM 0 HA ILE A 55 11.271 -4.943 7.538 1.00 0.00 H new ATOM 0 HB ILE A 55 12.213 -4.586 9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.420 -5.523 11.626 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.345 -6.816 10.446 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.287 -3.377 10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.424 -3.122 9.007 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.201 -4.243 9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.004 -7.304 12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.794 -7.111 10.594 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.869 -5.797 11.793 1.00 0.00 H new ATOM 861 N THR A 56 13.266 -6.440 7.490 1.00 0.00 N ATOM 862 CA THR A 56 14.375 -7.368 7.317 1.00 0.00 C ATOM 863 C THR A 56 15.684 -6.740 7.783 1.00 0.00 C ATOM 864 O THR A 56 16.256 -5.890 7.101 1.00 0.00 O ATOM 865 CB THR A 56 14.491 -7.788 5.851 1.00 0.00 C ATOM 866 OG1 THR A 56 15.004 -6.726 5.065 1.00 0.00 O ATOM 867 CG2 THR A 56 13.172 -8.212 5.245 1.00 0.00 C ATOM 0 H THR A 56 13.380 -5.552 7.001 1.00 0.00 H new ATOM 0 HA THR A 56 14.178 -8.251 7.926 1.00 0.00 H new ATOM 0 HB THR A 56 15.166 -8.644 5.847 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.670 -6.227 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.325 -8.497 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.773 -9.062 5.799 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.466 -7.383 5.294 1.00 0.00 H new ATOM 1312 N LEU A 89 -22.972 -12.762 -0.849 1.00 0.00 N ATOM 1313 CA LEU A 89 -24.265 -13.389 -1.095 1.00 0.00 C ATOM 1314 C LEU A 89 -24.602 -14.409 -0.010 1.00 0.00 C ATOM 1315 O LEU A 89 -25.761 -14.788 0.155 1.00 0.00 O ATOM 1316 CB LEU A 89 -24.278 -14.062 -2.468 1.00 0.00 C ATOM 1317 CG LEU A 89 -25.633 -14.050 -3.178 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -26.173 -12.631 -3.278 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -25.515 -14.676 -4.560 1.00 0.00 C ATOM 0 HA LEU A 89 -25.024 -12.607 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -23.545 -13.567 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -23.954 -15.096 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 89 -26.335 -14.642 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -27.137 -12.644 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -26.296 -12.217 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -25.474 -12.014 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -26.488 -14.659 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -24.798 -14.111 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -25.174 -15.707 -4.465 1.00 0.00 H new ATOM 1331 N ASN A 90 -23.589 -14.856 0.728 1.00 0.00 N ATOM 1332 CA ASN A 90 -23.794 -15.837 1.792 1.00 0.00 C ATOM 1333 C ASN A 90 -24.946 -15.423 2.709 1.00 0.00 C ATOM 1334 O ASN A 90 -25.844 -16.219 2.988 1.00 0.00 O ATOM 1335 CB ASN A 90 -22.513 -16.006 2.611 1.00 0.00 C ATOM 1336 CG ASN A 90 -22.426 -17.365 3.275 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -22.297 -18.389 2.605 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -22.497 -17.380 4.601 1.00 0.00 N ATOM 0 H ASN A 90 -22.621 -14.556 0.610 1.00 0.00 H new ATOM 0 HA ASN A 90 -24.051 -16.788 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -21.649 -15.866 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -22.468 -15.229 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -22.445 -18.265 5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -22.604 -16.506 5.116 1.00 0.00 H new ATOM 1345 N THR A 91 -24.911 -14.179 3.180 1.00 0.00 N ATOM 1346 CA THR A 91 -25.949 -13.662 4.071 1.00 0.00 C ATOM 1347 C THR A 91 -27.330 -13.619 3.401 1.00 0.00 C ATOM 1348 O THR A 91 -28.336 -13.384 4.071 1.00 0.00 O ATOM 1349 CB THR A 91 -25.568 -12.263 4.558 1.00 0.00 C ATOM 1350 OG1 THR A 91 -24.160 -12.110 4.591 1.00 0.00 O ATOM 1351 CG2 THR A 91 -26.097 -11.948 5.941 1.00 0.00 C ATOM 0 H THR A 91 -24.174 -13.509 2.960 1.00 0.00 H new ATOM 0 HA THR A 91 -26.018 -14.347 4.916 1.00 0.00 H new ATOM 0 HB THR A 91 -26.023 -11.574 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 91 -23.936 -11.208 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.792 -10.941 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 91 -27.185 -12.010 5.937 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.695 -12.666 6.656 1.00 0.00 H new ATOM 1359 N PHE A 92 -27.383 -13.840 2.086 1.00 0.00 N ATOM 1360 CA PHE A 92 -28.648 -13.818 1.358 1.00 0.00 C ATOM 1361 C PHE A 92 -29.296 -15.200 1.369 1.00 0.00 C ATOM 1362 O PHE A 92 -28.702 -16.174 0.908 1.00 0.00 O ATOM 1363 CB PHE A 92 -28.408 -13.353 -0.081 1.00 0.00 C ATOM 1364 CG PHE A 92 -27.927 -11.932 -0.186 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -26.723 -11.549 0.383 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -28.680 -10.979 -0.852 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -26.278 -10.244 0.289 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -28.241 -9.673 -0.950 1.00 0.00 C ATOM 1369 CZ PHE A 92 -27.039 -9.305 -0.379 1.00 0.00 C ATOM 0 H PHE A 92 -26.566 -14.035 1.507 1.00 0.00 H new ATOM 0 HA PHE A 92 -29.326 -13.120 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -27.675 -14.011 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -29.335 -13.456 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -26.125 -12.280 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -29.622 -11.260 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -25.337 -9.959 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -28.838 -8.940 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 92 -26.694 -8.284 -0.455 1.00 0.00 H new ATOM 1379 N THR A 93 -30.512 -15.287 1.909 1.00 0.00 N ATOM 1380 CA THR A 93 -31.217 -16.565 1.984 1.00 0.00 C ATOM 1381 C THR A 93 -32.677 -16.440 1.529 1.00 0.00 C ATOM 1382 O THR A 93 -32.975 -16.596 0.344 1.00 0.00 O ATOM 1383 CB THR A 93 -31.137 -17.138 3.407 1.00 0.00 C ATOM 1384 OG1 THR A 93 -32.233 -17.996 3.672 1.00 0.00 O ATOM 1385 CG2 THR A 93 -31.114 -16.078 4.490 1.00 0.00 C ATOM 0 H THR A 93 -31.025 -14.495 2.297 1.00 0.00 H new ATOM 0 HA THR A 93 -30.723 -17.255 1.299 1.00 0.00 H new ATOM 0 HB THR A 93 -30.193 -17.682 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 93 -32.159 -18.350 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 93 -31.057 -16.557 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 93 -30.246 -15.434 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 93 -32.023 -15.479 4.432 1.00 0.00 H new ATOM 1393 N VAL A 94 -33.587 -16.175 2.467 1.00 0.00 N ATOM 1394 CA VAL A 94 -35.006 -16.055 2.141 1.00 0.00 C ATOM 1395 C VAL A 94 -35.618 -14.795 2.746 1.00 0.00 C ATOM 1396 O VAL A 94 -36.369 -14.077 2.089 1.00 0.00 O ATOM 1397 CB VAL A 94 -35.800 -17.279 2.637 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -37.224 -17.244 2.108 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -35.103 -18.568 2.228 1.00 0.00 C ATOM 0 H VAL A 94 -33.367 -16.040 3.454 1.00 0.00 H new ATOM 0 HA VAL A 94 -35.069 -15.997 1.054 1.00 0.00 H new ATOM 0 HB VAL A 94 -35.842 -17.244 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -37.768 -18.117 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -37.719 -16.338 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -37.208 -17.253 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -35.678 -19.422 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -35.028 -18.612 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -34.104 -18.595 2.662 1.00 0.00 H new ATOM 1409 N GLU A 95 -35.299 -14.535 4.001 1.00 0.00 N ATOM 1410 CA GLU A 95 -35.820 -13.368 4.697 1.00 0.00 C ATOM 1411 C GLU A 95 -35.021 -12.104 4.381 1.00 0.00 C ATOM 1412 O GLU A 95 -35.499 -10.993 4.607 1.00 0.00 O ATOM 1413 CB GLU A 95 -35.827 -13.613 6.207 1.00 0.00 C ATOM 1414 CG GLU A 95 -34.441 -13.808 6.798 1.00 0.00 C ATOM 1415 CD GLU A 95 -34.461 -14.631 8.071 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -34.966 -15.772 8.033 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -33.972 -14.134 9.108 1.00 0.00 O ATOM 0 H GLU A 95 -34.679 -15.118 4.563 1.00 0.00 H new ATOM 0 HA GLU A 95 -36.840 -13.211 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -36.308 -12.769 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -36.431 -14.495 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -33.802 -14.298 6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -33.998 -12.834 7.006 1.00 0.00 H new ATOM 1424 N GLN A 96 -33.792 -12.271 3.900 1.00 0.00 N ATOM 1425 CA GLN A 96 -32.933 -11.129 3.612 1.00 0.00 C ATOM 1426 C GLN A 96 -33.166 -10.554 2.224 1.00 0.00 C ATOM 1427 O GLN A 96 -32.978 -9.358 2.012 1.00 0.00 O ATOM 1428 CB GLN A 96 -31.463 -11.519 3.778 1.00 0.00 C ATOM 1429 CG GLN A 96 -30.938 -11.326 5.192 1.00 0.00 C ATOM 1430 CD GLN A 96 -30.700 -9.869 5.532 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -29.604 -9.343 5.332 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -31.728 -9.207 6.052 1.00 0.00 N ATOM 0 H GLN A 96 -33.372 -13.179 3.703 1.00 0.00 H new ATOM 0 HA GLN A 96 -33.191 -10.349 4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -31.338 -12.564 3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -30.859 -10.927 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -31.650 -11.749 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -30.006 -11.879 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -32.618 -9.682 6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -31.627 -8.223 6.303 1.00 0.00 H new ATOM 1441 N LEU A 97 -33.580 -11.385 1.284 1.00 0.00 N ATOM 1442 CA LEU A 97 -33.833 -10.896 -0.062 1.00 0.00 C ATOM 1443 C LEU A 97 -35.240 -10.330 -0.128 1.00 0.00 C ATOM 1444 O LEU A 97 -35.443 -9.171 -0.485 1.00 0.00 O ATOM 1445 CB LEU A 97 -33.631 -11.976 -1.141 1.00 0.00 C ATOM 1446 CG LEU A 97 -33.315 -13.400 -0.675 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -32.166 -13.436 0.323 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -34.553 -14.048 -0.102 1.00 0.00 C ATOM 0 H LEU A 97 -33.746 -12.382 1.421 1.00 0.00 H new ATOM 0 HA LEU A 97 -33.103 -10.115 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -34.535 -12.015 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -32.822 -11.650 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 97 -32.991 -13.969 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -31.978 -14.466 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -31.269 -13.024 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -32.427 -12.843 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -34.315 -15.060 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -34.908 -13.465 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -35.330 -14.087 -0.866 1.00 0.00 H new ATOM 1460 N LYS A 98 -36.205 -11.153 0.247 1.00 0.00 N ATOM 1461 CA LYS A 98 -37.597 -10.740 0.261 1.00 0.00 C ATOM 1462 C LYS A 98 -37.781 -9.478 1.108 1.00 0.00 C ATOM 1463 O LYS A 98 -38.641 -8.649 0.811 1.00 0.00 O ATOM 1464 CB LYS A 98 -38.468 -11.874 0.808 1.00 0.00 C ATOM 1465 CG LYS A 98 -39.455 -12.432 -0.204 1.00 0.00 C ATOM 1466 CD LYS A 98 -39.454 -13.954 -0.207 1.00 0.00 C ATOM 1467 CE LYS A 98 -38.061 -14.515 -0.455 1.00 0.00 C ATOM 1468 NZ LYS A 98 -38.110 -15.874 -1.065 1.00 0.00 N ATOM 0 H LYS A 98 -36.048 -12.115 0.547 1.00 0.00 H new ATOM 0 HA LYS A 98 -37.903 -10.512 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -37.822 -12.681 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -39.018 -11.511 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -40.457 -12.069 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -39.203 -12.065 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -39.829 -14.320 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -40.135 -14.317 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -37.510 -13.842 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -37.514 -14.559 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -37.143 -16.242 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -38.657 -16.511 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -38.564 -15.819 -1.999 1.00 0.00 H new ATOM 1482 N ALA A 99 -36.976 -9.334 2.167 1.00 0.00 N ATOM 1483 CA ALA A 99 -37.081 -8.166 3.039 1.00 0.00 C ATOM 1484 C ALA A 99 -36.277 -6.989 2.516 1.00 0.00 C ATOM 1485 O ALA A 99 -36.574 -5.833 2.820 1.00 0.00 O ATOM 1486 CB ALA A 99 -36.657 -8.518 4.455 1.00 0.00 C ATOM 0 H ALA A 99 -36.255 -10.004 2.436 1.00 0.00 H new ATOM 0 HA ALA A 99 -38.128 -7.862 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -36.742 -7.636 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -37.301 -9.307 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -35.623 -8.864 4.450 1.00 0.00 H new ATOM 1492 N GLN A 100 -35.262 -7.287 1.733 1.00 0.00 N ATOM 1493 CA GLN A 100 -34.410 -6.250 1.164 1.00 0.00 C ATOM 1494 C GLN A 100 -34.990 -5.726 -0.142 1.00 0.00 C ATOM 1495 O GLN A 100 -35.041 -4.517 -0.363 1.00 0.00 O ATOM 1496 CB GLN A 100 -32.990 -6.774 0.938 1.00 0.00 C ATOM 1497 CG GLN A 100 -32.150 -6.817 2.204 1.00 0.00 C ATOM 1498 CD GLN A 100 -30.865 -7.603 2.028 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -30.584 -8.123 0.949 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -30.075 -7.693 3.093 1.00 0.00 N ATOM 0 H GLN A 100 -35.002 -8.238 1.472 1.00 0.00 H new ATOM 0 HA GLN A 100 -34.366 -5.427 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -33.045 -7.777 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -32.491 -6.143 0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -31.909 -5.799 2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -32.736 -7.262 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -30.347 -7.246 3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -29.197 -8.209 3.035 1.00 0.00 H new ATOM 1509 N LEU A 101 -35.432 -6.636 -1.006 1.00 0.00 N ATOM 1510 CA LEU A 101 -36.010 -6.248 -2.287 1.00 0.00 C ATOM 1511 C LEU A 101 -37.090 -5.196 -2.084 1.00 0.00 C ATOM 1512 O LEU A 101 -37.100 -4.160 -2.751 1.00 0.00 O ATOM 1513 CB LEU A 101 -36.613 -7.463 -3.006 1.00 0.00 C ATOM 1514 CG LEU A 101 -35.707 -8.172 -4.026 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -36.545 -8.999 -4.988 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -34.850 -7.175 -4.796 1.00 0.00 C ATOM 0 H LEU A 101 -35.401 -7.642 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 101 -35.211 -5.834 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -36.915 -8.191 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -37.519 -7.141 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 101 -35.038 -8.834 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -35.892 -9.496 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -37.107 -9.748 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -37.238 -8.347 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -34.222 -7.709 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -35.495 -6.479 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -34.220 -6.623 -4.099 1.00 0.00 H new ATOM 1528 N THR A 102 -37.996 -5.466 -1.153 1.00 0.00 N ATOM 1529 CA THR A 102 -39.075 -4.540 -0.855 1.00 0.00 C ATOM 1530 C THR A 102 -38.517 -3.268 -0.242 1.00 0.00 C ATOM 1531 O THR A 102 -38.989 -2.168 -0.527 1.00 0.00 O ATOM 1532 CB THR A 102 -40.088 -5.183 0.091 1.00 0.00 C ATOM 1533 OG1 THR A 102 -39.548 -6.345 0.696 1.00 0.00 O ATOM 1534 CG2 THR A 102 -41.369 -5.577 -0.601 1.00 0.00 C ATOM 0 H THR A 102 -38.003 -6.319 -0.593 1.00 0.00 H new ATOM 0 HA THR A 102 -39.584 -4.289 -1.786 1.00 0.00 H new ATOM 0 HB THR A 102 -40.312 -4.423 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 102 -39.654 -7.108 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 102 -42.049 -6.028 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 102 -41.835 -4.692 -1.035 1.00 0.00 H new ATOM 0 HG23 THR A 102 -41.150 -6.296 -1.391 1.00 0.00 H new ATOM 1542 N GLU A 103 -37.504 -3.428 0.600 1.00 0.00 N ATOM 1543 CA GLU A 103 -36.879 -2.287 1.250 1.00 0.00 C ATOM 1544 C GLU A 103 -35.946 -1.546 0.295 1.00 0.00 C ATOM 1545 O GLU A 103 -35.423 -0.481 0.624 1.00 0.00 O ATOM 1546 CB GLU A 103 -36.113 -2.731 2.497 1.00 0.00 C ATOM 1547 CG GLU A 103 -37.002 -2.943 3.711 1.00 0.00 C ATOM 1548 CD GLU A 103 -36.917 -1.799 4.704 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -37.310 -0.670 4.343 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -36.457 -2.034 5.841 1.00 0.00 O ATOM 0 H GLU A 103 -37.101 -4.332 0.847 1.00 0.00 H new ATOM 0 HA GLU A 103 -37.672 -1.602 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -35.584 -3.658 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -35.358 -1.982 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -38.035 -3.059 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -36.718 -3.871 4.207 1.00 0.00 H new ATOM 1557 N ARG A 104 -35.746 -2.114 -0.887 1.00 0.00 N ATOM 1558 CA ARG A 104 -34.882 -1.506 -1.893 1.00 0.00 C ATOM 1559 C ARG A 104 -35.702 -0.851 -3.003 1.00 0.00 C ATOM 1560 O ARG A 104 -35.181 -0.055 -3.784 1.00 0.00 O ATOM 1561 CB ARG A 104 -33.943 -2.556 -2.492 1.00 0.00 C ATOM 1562 CG ARG A 104 -32.571 -2.011 -2.853 1.00 0.00 C ATOM 1563 CD ARG A 104 -31.489 -3.063 -2.667 1.00 0.00 C ATOM 1564 NE ARG A 104 -31.228 -3.337 -1.257 1.00 0.00 N ATOM 1565 CZ ARG A 104 -30.536 -2.526 -0.461 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -30.036 -1.390 -0.930 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -30.344 -2.852 0.811 1.00 0.00 N ATOM 0 H ARG A 104 -36.170 -2.996 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 104 -34.291 -0.733 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -33.824 -3.373 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -34.404 -2.976 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -32.574 -1.670 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -32.348 -1.144 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -31.790 -3.984 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -30.570 -2.726 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 104 -31.598 -4.200 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -30.181 -1.134 -1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -29.507 -0.773 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -30.727 -3.724 1.177 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -29.814 -2.231 1.422 1.00 0.00 H new ATOM 1581 N GLY A 105 -36.988 -1.187 -3.068 1.00 0.00 N ATOM 1582 CA GLY A 105 -37.851 -0.618 -4.086 1.00 0.00 C ATOM 1583 C GLY A 105 -37.858 -1.433 -5.364 1.00 0.00 C ATOM 1584 O GLY A 105 -37.730 -0.883 -6.458 1.00 0.00 O ATOM 0 H GLY A 105 -37.446 -1.842 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -38.867 -0.548 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -37.524 0.398 -4.309 1.00 0.00 H new ATOM 1588 N ILE A 106 -38.007 -2.746 -5.227 1.00 0.00 N ATOM 1589 CA ILE A 106 -38.031 -3.635 -6.383 1.00 0.00 C ATOM 1590 C ILE A 106 -39.185 -4.627 -6.288 1.00 0.00 C ATOM 1591 O ILE A 106 -39.041 -5.709 -5.719 1.00 0.00 O ATOM 1592 CB ILE A 106 -36.710 -4.416 -6.517 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -35.515 -3.471 -6.384 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -36.665 -5.156 -7.846 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -35.426 -2.449 -7.496 1.00 0.00 C ATOM 0 H ILE A 106 -38.113 -3.218 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 106 -38.165 -3.007 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 106 -36.656 -5.150 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -35.578 -2.951 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -34.597 -4.059 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -35.726 -5.703 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -37.499 -5.856 -7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -36.738 -4.439 -8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -34.555 -1.813 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -35.332 -2.961 -8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -36.327 -1.836 -7.500 1.00 0.00 H new ATOM 1607 N THR A 107 -40.332 -4.253 -6.849 1.00 0.00 N ATOM 1608 CA THR A 107 -41.511 -5.113 -6.826 1.00 0.00 C ATOM 1609 C THR A 107 -41.194 -6.489 -7.404 1.00 0.00 C ATOM 1610 O THR A 107 -40.797 -6.611 -8.564 1.00 0.00 O ATOM 1611 CB THR A 107 -42.652 -4.466 -7.614 1.00 0.00 C ATOM 1612 OG1 THR A 107 -42.379 -4.492 -9.003 1.00 0.00 O ATOM 1613 CG2 THR A 107 -42.909 -3.027 -7.223 1.00 0.00 C ATOM 0 H THR A 107 -40.470 -3.361 -7.324 1.00 0.00 H new ATOM 0 HA THR A 107 -41.819 -5.239 -5.788 1.00 0.00 H new ATOM 0 HB THR A 107 -43.538 -5.054 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 107 -41.763 -5.228 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 107 -43.730 -2.629 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 107 -43.172 -2.978 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 107 -42.011 -2.436 -7.401 1.00 0.00 H new ATOM 1621 N PHE A 108 -41.369 -7.524 -6.588 1.00 0.00 N ATOM 1622 CA PHE A 108 -41.099 -8.891 -7.020 1.00 0.00 C ATOM 1623 C PHE A 108 -42.371 -9.734 -6.984 1.00 0.00 C ATOM 1624 O PHE A 108 -42.548 -10.577 -6.105 1.00 0.00 O ATOM 1625 CB PHE A 108 -40.018 -9.527 -6.139 1.00 0.00 C ATOM 1626 CG PHE A 108 -40.400 -9.645 -4.690 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -40.458 -8.521 -3.882 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -40.699 -10.879 -4.137 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -40.807 -8.627 -2.550 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -41.049 -10.991 -2.804 1.00 0.00 C ATOM 1631 CZ PHE A 108 -41.103 -9.863 -2.010 1.00 0.00 C ATOM 0 H PHE A 108 -41.696 -7.442 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 108 -40.739 -8.856 -8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -39.787 -10.520 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -39.106 -8.935 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -40.228 -7.551 -4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -40.658 -11.764 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -40.848 -7.743 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -41.280 -11.959 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 108 -41.376 -9.947 -0.969 1.00 0.00 H new ATOM 1641 N LYS A 109 -43.253 -9.501 -7.951 1.00 0.00 N ATOM 1642 CA LYS A 109 -44.508 -10.240 -8.035 1.00 0.00 C ATOM 1643 C LYS A 109 -44.805 -10.639 -9.477 1.00 0.00 C ATOM 1644 O LYS A 109 -45.950 -10.586 -9.926 1.00 0.00 O ATOM 1645 CB LYS A 109 -45.656 -9.398 -7.471 1.00 0.00 C ATOM 1646 CG LYS A 109 -46.008 -9.738 -6.032 1.00 0.00 C ATOM 1647 CD LYS A 109 -47.318 -10.504 -5.944 1.00 0.00 C ATOM 1648 CE LYS A 109 -48.100 -10.130 -4.694 1.00 0.00 C ATOM 1649 NZ LYS A 109 -47.648 -10.903 -3.505 1.00 0.00 N ATOM 0 H LYS A 109 -43.122 -8.807 -8.687 1.00 0.00 H new ATOM 0 HA LYS A 109 -44.412 -11.149 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -45.386 -8.344 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -46.539 -9.537 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -45.208 -10.332 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -46.082 -8.821 -5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -47.922 -10.297 -6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -47.115 -11.575 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -47.985 -9.064 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -49.162 -10.310 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -48.205 -10.619 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -47.781 -11.919 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -46.641 -10.711 -3.329 1.00 0.00 H new ATOM 1663 N GLN A 110 -43.764 -11.042 -10.200 1.00 0.00 N ATOM 1664 CA GLN A 110 -43.913 -11.451 -11.592 1.00 0.00 C ATOM 1665 C GLN A 110 -43.434 -12.884 -11.795 1.00 0.00 C ATOM 1666 O GLN A 110 -44.114 -13.693 -12.426 1.00 0.00 O ATOM 1667 CB GLN A 110 -43.136 -10.505 -12.512 1.00 0.00 C ATOM 1668 CG GLN A 110 -41.653 -10.421 -12.188 1.00 0.00 C ATOM 1669 CD GLN A 110 -41.050 -9.081 -12.566 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -41.631 -8.323 -13.342 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -39.879 -8.782 -12.016 1.00 0.00 N ATOM 0 H GLN A 110 -42.809 -11.094 -9.845 1.00 0.00 H new ATOM 0 HA GLN A 110 -44.972 -11.403 -11.845 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -43.256 -10.836 -13.544 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -43.571 -9.508 -12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -41.507 -10.593 -11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -41.124 -11.215 -12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -39.432 -9.440 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -39.426 -7.894 -12.232 1.00 0.00 H new ATOM 1680 N SER A 111 -42.258 -13.194 -11.256 1.00 0.00 N ATOM 1681 CA SER A 111 -41.693 -14.532 -11.381 1.00 0.00 C ATOM 1682 C SER A 111 -40.500 -14.713 -10.445 1.00 0.00 C ATOM 1683 O SER A 111 -39.547 -15.421 -10.770 1.00 0.00 O ATOM 1684 CB SER A 111 -41.266 -14.796 -12.825 1.00 0.00 C ATOM 1685 OG SER A 111 -41.504 -16.144 -13.190 1.00 0.00 O ATOM 0 H SER A 111 -41.680 -12.538 -10.730 1.00 0.00 H new ATOM 0 HA SER A 111 -42.464 -15.250 -11.099 1.00 0.00 H new ATOM 0 HB2 SER A 111 -41.812 -14.133 -13.496 1.00 0.00 H new ATOM 0 HB3 SER A 111 -40.207 -14.566 -12.942 1.00 0.00 H new ATOM 0 HG SER A 111 -41.224 -16.286 -14.118 1.00 0.00 H new ATOM 1691 N ALA A 112 -40.562 -14.072 -9.284 1.00 0.00 N ATOM 1692 CA ALA A 112 -39.487 -14.168 -8.302 1.00 0.00 C ATOM 1693 C ALA A 112 -39.978 -14.824 -7.018 1.00 0.00 C ATOM 1694 O ALA A 112 -40.450 -14.147 -6.105 1.00 0.00 O ATOM 1695 CB ALA A 112 -38.914 -12.790 -8.008 1.00 0.00 C ATOM 0 H ALA A 112 -41.343 -13.481 -8.999 1.00 0.00 H new ATOM 0 HA ALA A 112 -38.699 -14.793 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -38.113 -12.878 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -38.518 -12.357 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -39.700 -12.146 -7.613 1.00 0.00 H new ATOM 1701 N THR A 113 -39.866 -16.146 -6.955 1.00 0.00 N ATOM 1702 CA THR A 113 -40.302 -16.892 -5.781 1.00 0.00 C ATOM 1703 C THR A 113 -39.306 -16.742 -4.636 1.00 0.00 C ATOM 1704 O THR A 113 -39.549 -15.996 -3.687 1.00 0.00 O ATOM 1705 CB THR A 113 -40.493 -18.371 -6.124 1.00 0.00 C ATOM 1706 OG1 THR A 113 -40.333 -18.593 -7.515 1.00 0.00 O ATOM 1707 CG2 THR A 113 -41.854 -18.898 -5.730 1.00 0.00 C ATOM 0 H THR A 113 -39.478 -16.722 -7.702 1.00 0.00 H new ATOM 0 HA THR A 113 -41.258 -16.480 -5.459 1.00 0.00 H new ATOM 0 HB THR A 113 -39.731 -18.902 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 113 -39.378 -18.646 -7.730 1.00 0.00 H new ATOM 0 HG21 THR A 113 -41.928 -19.952 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 113 -41.989 -18.788 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 113 -42.627 -18.335 -6.252 1.00 0.00 H new ATOM 1715 N LYS A 114 -38.186 -17.453 -4.724 1.00 0.00 N ATOM 1716 CA LYS A 114 -37.165 -17.388 -3.685 1.00 0.00 C ATOM 1717 C LYS A 114 -35.768 -17.559 -4.257 1.00 0.00 C ATOM 1718 O LYS A 114 -34.833 -16.877 -3.840 1.00 0.00 O ATOM 1719 CB LYS A 114 -37.428 -18.446 -2.611 1.00 0.00 C ATOM 1720 CG LYS A 114 -37.777 -19.813 -3.178 1.00 0.00 C ATOM 1721 CD LYS A 114 -39.160 -20.267 -2.735 1.00 0.00 C ATOM 1722 CE LYS A 114 -39.432 -21.708 -3.136 1.00 0.00 C ATOM 1723 NZ LYS A 114 -40.478 -21.802 -4.192 1.00 0.00 N ATOM 0 H LYS A 114 -37.963 -18.077 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 114 -37.220 -16.398 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -36.544 -18.538 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -38.243 -18.108 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -37.737 -19.777 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -37.034 -20.542 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -39.247 -20.167 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -39.916 -19.617 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -38.510 -22.165 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -39.748 -22.275 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -40.634 -22.800 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -41.365 -21.389 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -40.166 -21.282 -5.037 1.00 0.00 H new ATOM 1737 N ALA A 115 -35.621 -18.460 -5.213 1.00 0.00 N ATOM 1738 CA ALA A 115 -34.328 -18.690 -5.831 1.00 0.00 C ATOM 1739 C ALA A 115 -34.010 -17.591 -6.837 1.00 0.00 C ATOM 1740 O ALA A 115 -32.849 -17.354 -7.169 1.00 0.00 O ATOM 1741 CB ALA A 115 -34.293 -20.055 -6.502 1.00 0.00 C ATOM 0 H ALA A 115 -36.377 -19.041 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 115 -33.567 -18.670 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -33.316 -20.210 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -34.472 -20.831 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -35.065 -20.103 -7.270 1.00 0.00 H new ATOM 1747 N GLU A 116 -35.053 -16.923 -7.318 1.00 0.00 N ATOM 1748 CA GLU A 116 -34.890 -15.849 -8.288 1.00 0.00 C ATOM 1749 C GLU A 116 -34.606 -14.512 -7.612 1.00 0.00 C ATOM 1750 O GLU A 116 -33.817 -13.716 -8.121 1.00 0.00 O ATOM 1751 CB GLU A 116 -36.135 -15.738 -9.168 1.00 0.00 C ATOM 1752 CG GLU A 116 -36.338 -16.929 -10.090 1.00 0.00 C ATOM 1753 CD GLU A 116 -35.665 -16.747 -11.436 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -34.677 -15.986 -11.508 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -36.125 -17.367 -12.418 1.00 0.00 O ATOM 0 H GLU A 116 -36.020 -17.107 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 116 -34.029 -16.096 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -37.012 -15.630 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -36.065 -14.832 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -35.946 -17.826 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -37.406 -17.089 -10.241 1.00 0.00 H new ATOM 1762 N LEU A 117 -35.250 -14.253 -6.474 1.00 0.00 N ATOM 1763 CA LEU A 117 -35.034 -12.986 -5.777 1.00 0.00 C ATOM 1764 C LEU A 117 -33.779 -13.034 -4.920 1.00 0.00 C ATOM 1765 O LEU A 117 -33.209 -11.994 -4.588 1.00 0.00 O ATOM 1766 CB LEU A 117 -36.283 -12.536 -4.984 1.00 0.00 C ATOM 1767 CG LEU A 117 -36.543 -13.102 -3.583 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -38.049 -13.199 -3.369 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -35.882 -14.448 -3.365 1.00 0.00 C ATOM 0 H LEU A 117 -35.910 -14.887 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 117 -34.870 -12.219 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -36.236 -11.451 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -37.156 -12.767 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 117 -36.099 -12.426 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -38.250 -13.600 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -38.494 -12.208 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -38.482 -13.858 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -36.099 -14.801 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -36.267 -15.164 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -34.804 -14.348 -3.490 1.00 0.00 H new ATOM 1781 N ILE A 118 -33.322 -14.238 -4.597 1.00 0.00 N ATOM 1782 CA ILE A 118 -32.103 -14.385 -3.823 1.00 0.00 C ATOM 1783 C ILE A 118 -30.878 -14.341 -4.736 1.00 0.00 C ATOM 1784 O ILE A 118 -29.782 -13.985 -4.304 1.00 0.00 O ATOM 1785 CB ILE A 118 -32.092 -15.686 -2.984 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -30.928 -15.654 -1.984 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -32.020 -16.930 -3.867 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -29.616 -16.176 -2.535 1.00 0.00 C ATOM 0 H ILE A 118 -33.773 -15.115 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 118 -32.066 -13.546 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 118 -33.031 -15.741 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -30.784 -14.628 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -31.201 -16.243 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -32.014 -17.821 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -32.886 -16.957 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -31.108 -16.900 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -28.848 -16.118 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -29.739 -17.213 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -29.316 -15.573 -3.392 1.00 0.00 H new ATOM 1800 N ALA A 119 -31.075 -14.702 -6.007 1.00 0.00 N ATOM 1801 CA ALA A 119 -29.993 -14.699 -6.984 1.00 0.00 C ATOM 1802 C ALA A 119 -29.834 -13.328 -7.634 1.00 0.00 C ATOM 1803 O ALA A 119 -28.722 -12.905 -7.954 1.00 0.00 O ATOM 1804 CB ALA A 119 -30.236 -15.764 -8.043 1.00 0.00 C ATOM 0 H ALA A 119 -31.977 -15.000 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 119 -29.066 -14.928 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -29.421 -15.751 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -30.285 -16.744 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -31.177 -15.561 -8.554 1.00 0.00 H new ATOM 1810 N LEU A 120 -30.956 -12.647 -7.839 1.00 0.00 N ATOM 1811 CA LEU A 120 -30.953 -11.330 -8.467 1.00 0.00 C ATOM 1812 C LEU A 120 -30.171 -10.322 -7.632 1.00 0.00 C ATOM 1813 O LEU A 120 -29.540 -9.413 -8.171 1.00 0.00 O ATOM 1814 CB LEU A 120 -32.388 -10.838 -8.672 1.00 0.00 C ATOM 1815 CG LEU A 120 -32.676 -10.234 -10.048 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -34.130 -10.455 -10.433 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -32.338 -8.750 -10.059 1.00 0.00 C ATOM 0 H LEU A 120 -31.882 -12.986 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 120 -30.463 -11.422 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -33.069 -11.673 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -32.612 -10.091 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 120 -32.047 -10.735 -10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -34.317 -10.019 -11.414 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -34.339 -11.524 -10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -34.778 -9.980 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -32.549 -8.336 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -32.941 -8.234 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -31.281 -8.616 -9.827 1.00 0.00 H new ATOM 1829 N PHE A 121 -30.223 -10.483 -6.315 1.00 0.00 N ATOM 1830 CA PHE A 121 -29.524 -9.582 -5.409 1.00 0.00 C ATOM 1831 C PHE A 121 -28.021 -9.597 -5.665 1.00 0.00 C ATOM 1832 O PHE A 121 -27.274 -10.313 -4.999 1.00 0.00 O ATOM 1833 CB PHE A 121 -29.808 -9.967 -3.959 1.00 0.00 C ATOM 1834 CG PHE A 121 -30.755 -9.029 -3.275 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -30.375 -7.729 -2.987 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -32.023 -9.448 -2.922 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -31.247 -6.864 -2.358 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -32.899 -8.591 -2.292 1.00 0.00 C ATOM 1839 CZ PHE A 121 -32.510 -7.295 -2.009 1.00 0.00 C ATOM 0 H PHE A 121 -30.742 -11.229 -5.852 1.00 0.00 H new ATOM 0 HA PHE A 121 -29.891 -8.572 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -30.222 -10.975 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -28.869 -9.993 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -29.386 -7.389 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -32.331 -10.459 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -30.941 -5.852 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -33.887 -8.931 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 121 -33.194 -6.621 -1.515 1.00 0.00 H new