USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 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 90 ASN : amide:sc= -0.207 K(o=-0.39,f=-2.9!) USER MOD Set 1.2: A 91 THR OG1 : rot 34:sc= -0.178 USER MOD Single : A 7 THR OG1 : rot 180:sc= -6.86! USER MOD Single : A 9 CYS SG : rot 180:sc= 0.0454 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0718 K(o=-0.072,f=-0.66) USER MOD Single : A 32 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0521 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= -9.95! C(o=-10!,f=-21!) USER MOD Single : A 44 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.13) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -5.61! (180deg=-7.09!) USER MOD Single : A 100 GLN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 102 THR OG1 : rot -75:sc= 0.488 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0627 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 16.429 1.890 12.490 1.00 0.00 N ATOM 91 CA THR A 7 16.126 2.287 11.120 1.00 0.00 C ATOM 92 C THR A 7 16.306 1.113 10.166 1.00 0.00 C ATOM 93 O THR A 7 17.335 0.437 10.178 1.00 0.00 O ATOM 94 CB THR A 7 17.028 3.443 10.712 1.00 0.00 C ATOM 95 OG1 THR A 7 16.609 4.008 9.486 1.00 0.00 O ATOM 96 CG2 THR A 7 18.479 3.039 10.570 1.00 0.00 C ATOM 0 HA THR A 7 15.086 2.608 11.069 1.00 0.00 H new ATOM 0 HB THR A 7 16.947 4.172 11.518 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.204 4.749 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.071 3.906 10.278 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.844 2.654 11.522 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.568 2.265 9.808 1.00 0.00 H new ATOM 104 N PHE A 8 15.293 0.874 9.347 1.00 0.00 N ATOM 105 CA PHE A 8 15.329 -0.228 8.386 1.00 0.00 C ATOM 106 C PHE A 8 14.565 0.094 7.107 1.00 0.00 C ATOM 107 O PHE A 8 13.531 0.760 7.141 1.00 0.00 O ATOM 108 CB PHE A 8 14.744 -1.490 9.015 1.00 0.00 C ATOM 109 CG PHE A 8 13.819 -1.205 10.158 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.325 -0.985 11.428 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.449 -1.158 9.962 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.480 -0.724 12.488 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.598 -0.896 11.020 1.00 0.00 C ATOM 114 CZ PHE A 8 12.113 -0.681 12.284 1.00 0.00 C ATOM 0 H PHE A 8 14.435 1.425 9.325 1.00 0.00 H new ATOM 0 HA PHE A 8 16.374 -0.387 8.122 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.206 -2.053 8.252 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.558 -2.125 9.364 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.392 -1.018 11.591 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.042 -1.327 8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.886 -0.554 13.474 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.531 -0.859 10.858 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.449 -0.480 13.111 1.00 0.00 H new ATOM 124 N CYS A 9 15.046 -0.433 5.988 1.00 0.00 N ATOM 125 CA CYS A 9 14.371 -0.246 4.711 1.00 0.00 C ATOM 126 C CYS A 9 13.355 -1.374 4.532 1.00 0.00 C ATOM 127 O CYS A 9 13.706 -2.550 4.636 1.00 0.00 O ATOM 128 CB CYS A 9 15.373 -0.239 3.548 1.00 0.00 C ATOM 129 SG CYS A 9 17.059 0.238 4.005 1.00 0.00 S ATOM 0 H CYS A 9 15.898 -0.991 5.939 1.00 0.00 H new ATOM 0 HA CYS A 9 13.865 0.720 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.399 -1.234 3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.012 0.445 2.779 1.00 0.00 H new ATOM 0 HG CYS A 9 17.819 0.208 2.951 1.00 0.00 H new ATOM 135 N VAL A 10 12.093 -1.023 4.304 1.00 0.00 N ATOM 136 CA VAL A 10 11.040 -2.029 4.161 1.00 0.00 C ATOM 137 C VAL A 10 10.517 -2.117 2.735 1.00 0.00 C ATOM 138 O VAL A 10 10.569 -1.157 1.978 1.00 0.00 O ATOM 139 CB VAL A 10 9.865 -1.744 5.134 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.602 -1.286 4.408 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.575 -2.970 5.982 1.00 0.00 C ATOM 0 H VAL A 10 11.774 -0.058 4.214 1.00 0.00 H new ATOM 0 HA VAL A 10 11.490 -2.989 4.412 1.00 0.00 H new ATOM 0 HB VAL A 10 10.175 -0.923 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.811 -1.100 5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.811 -0.369 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.281 -2.061 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.749 -2.756 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.307 -3.805 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.461 -3.230 6.561 1.00 0.00 H new ATOM 151 N VAL A 11 10.005 -3.283 2.379 1.00 0.00 N ATOM 152 CA VAL A 11 9.466 -3.495 1.051 1.00 0.00 C ATOM 153 C VAL A 11 8.172 -4.304 1.103 1.00 0.00 C ATOM 154 O VAL A 11 8.135 -5.405 1.652 1.00 0.00 O ATOM 155 CB VAL A 11 10.504 -4.184 0.157 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.049 -5.427 0.835 1.00 0.00 C ATOM 157 CG2 VAL A 11 9.928 -4.508 -1.215 1.00 0.00 C ATOM 0 H VAL A 11 9.952 -4.096 2.993 1.00 0.00 H new ATOM 0 HA VAL A 11 9.230 -2.521 0.621 1.00 0.00 H new ATOM 0 HB VAL A 11 11.331 -3.491 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.784 -5.903 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.522 -5.150 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.233 -6.123 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.690 -4.996 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.072 -5.174 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.609 -3.587 -1.703 1.00 0.00 H new ATOM 167 N VAL A 12 7.110 -3.737 0.539 1.00 0.00 N ATOM 168 CA VAL A 12 5.804 -4.387 0.527 1.00 0.00 C ATOM 169 C VAL A 12 5.582 -5.196 -0.744 1.00 0.00 C ATOM 170 O VAL A 12 5.388 -4.635 -1.821 1.00 0.00 O ATOM 171 CB VAL A 12 4.670 -3.352 0.655 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.769 -2.615 1.978 1.00 0.00 C ATOM 173 CG2 VAL A 12 4.699 -2.371 -0.511 1.00 0.00 C ATOM 0 H VAL A 12 7.129 -2.825 0.083 1.00 0.00 H new ATOM 0 HA VAL A 12 5.789 -5.062 1.383 1.00 0.00 H new ATOM 0 HB VAL A 12 3.718 -3.883 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.960 -1.888 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.691 -3.328 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.727 -2.099 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.890 -1.650 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.654 -1.846 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.574 -2.915 -1.447 1.00 0.00 H new ATOM 183 N GLN A 13 5.593 -6.517 -0.613 1.00 0.00 N ATOM 184 CA GLN A 13 5.373 -7.392 -1.757 1.00 0.00 C ATOM 185 C GLN A 13 3.887 -7.695 -1.912 1.00 0.00 C ATOM 186 O GLN A 13 3.312 -8.452 -1.129 1.00 0.00 O ATOM 187 CB GLN A 13 6.165 -8.691 -1.598 1.00 0.00 C ATOM 188 CG GLN A 13 7.495 -8.682 -2.336 1.00 0.00 C ATOM 189 CD GLN A 13 8.441 -9.761 -1.848 1.00 0.00 C ATOM 190 OE1 GLN A 13 8.107 -10.946 -1.856 1.00 0.00 O ATOM 191 NE2 GLN A 13 9.631 -9.355 -1.420 1.00 0.00 N ATOM 0 H GLN A 13 5.751 -7.004 0.269 1.00 0.00 H new ATOM 0 HA GLN A 13 5.722 -6.882 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.347 -8.869 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.562 -9.523 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.315 -8.817 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.967 -7.707 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.866 -8.362 -1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.310 -10.036 -1.080 1.00 0.00 H new ATOM 200 N ASN A 14 3.268 -7.089 -2.920 1.00 0.00 N ATOM 201 CA ASN A 14 1.843 -7.286 -3.171 1.00 0.00 C ATOM 202 C ASN A 14 1.616 -8.346 -4.241 1.00 0.00 C ATOM 203 O ASN A 14 2.401 -8.478 -5.180 1.00 0.00 O ATOM 204 CB ASN A 14 1.172 -5.972 -3.598 1.00 0.00 C ATOM 205 CG ASN A 14 2.037 -4.751 -3.341 1.00 0.00 C ATOM 206 OD1 ASN A 14 2.312 -4.401 -2.194 1.00 0.00 O ATOM 207 ND2 ASN A 14 2.468 -4.098 -4.414 1.00 0.00 N ATOM 0 H ASN A 14 3.729 -6.458 -3.576 1.00 0.00 H new ATOM 0 HA ASN A 14 1.393 -7.626 -2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.931 -6.022 -4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.229 -5.861 -3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.053 -3.269 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.214 -4.425 -5.346 1.00 0.00 H new ATOM 482 N ASP A 31 6.573 -5.012 -5.668 1.00 0.00 N ATOM 483 CA ASP A 31 7.065 -4.565 -4.372 1.00 0.00 C ATOM 484 C ASP A 31 7.879 -3.281 -4.497 1.00 0.00 C ATOM 485 O ASP A 31 8.614 -3.089 -5.466 1.00 0.00 O ATOM 486 CB ASP A 31 7.913 -5.659 -3.723 1.00 0.00 C ATOM 487 CG ASP A 31 9.192 -5.937 -4.489 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.086 -5.066 -4.486 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.299 -7.026 -5.091 1.00 0.00 O ATOM 0 HA ASP A 31 6.200 -4.357 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.161 -5.364 -2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.327 -6.576 -3.656 1.00 0.00 H new ATOM 494 N ASN A 32 7.747 -2.411 -3.500 1.00 0.00 N ATOM 495 CA ASN A 32 8.474 -1.147 -3.482 1.00 0.00 C ATOM 496 C ASN A 32 9.320 -1.049 -2.219 1.00 0.00 C ATOM 497 O ASN A 32 8.928 -1.549 -1.167 1.00 0.00 O ATOM 498 CB ASN A 32 7.500 0.031 -3.558 1.00 0.00 C ATOM 499 CG ASN A 32 7.088 0.346 -4.983 1.00 0.00 C ATOM 500 OD1 ASN A 32 7.397 1.416 -5.509 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.383 -0.585 -5.615 1.00 0.00 N ATOM 0 H ASN A 32 7.142 -2.559 -2.693 1.00 0.00 H new ATOM 0 HA ASN A 32 9.131 -1.110 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.612 -0.196 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.963 0.912 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.075 -0.428 -6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.149 -1.457 -5.141 1.00 0.00 H new ATOM 508 N SER A 33 10.485 -0.418 -2.323 1.00 0.00 N ATOM 509 CA SER A 33 11.377 -0.284 -1.178 1.00 0.00 C ATOM 510 C SER A 33 11.054 0.950 -0.348 1.00 0.00 C ATOM 511 O SER A 33 10.662 1.992 -0.872 1.00 0.00 O ATOM 512 CB SER A 33 12.836 -0.220 -1.624 1.00 0.00 C ATOM 513 OG SER A 33 12.958 0.404 -2.891 1.00 0.00 O ATOM 0 H SER A 33 10.832 0.006 -3.183 1.00 0.00 H new ATOM 0 HA SER A 33 11.224 -1.168 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.421 0.330 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.249 -1.228 -1.671 1.00 0.00 H new ATOM 0 HG SER A 33 13.902 0.433 -3.152 1.00 0.00 H new ATOM 519 N LEU A 34 11.239 0.809 0.955 1.00 0.00 N ATOM 520 CA LEU A 34 10.991 1.887 1.901 1.00 0.00 C ATOM 521 C LEU A 34 12.308 2.316 2.548 1.00 0.00 C ATOM 522 O LEU A 34 13.138 1.474 2.880 1.00 0.00 O ATOM 523 CB LEU A 34 9.985 1.418 2.970 1.00 0.00 C ATOM 524 CG LEU A 34 9.850 2.294 4.208 1.00 0.00 C ATOM 525 CD1 LEU A 34 10.923 1.905 5.206 1.00 0.00 C ATOM 526 CD2 LEU A 34 9.925 3.777 3.865 1.00 0.00 C ATOM 0 H LEU A 34 11.565 -0.055 1.387 1.00 0.00 H new ATOM 0 HA LEU A 34 10.566 2.744 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.004 1.335 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.271 0.416 3.291 1.00 0.00 H new ATOM 0 HG LEU A 34 8.867 2.130 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.834 2.527 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.801 0.858 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.906 2.050 4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.824 4.367 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.885 3.994 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.119 4.032 3.177 1.00 0.00 H new ATOM 538 N ALA A 35 12.498 3.619 2.728 1.00 0.00 N ATOM 539 CA ALA A 35 13.710 4.135 3.339 1.00 0.00 C ATOM 540 C ALA A 35 13.738 3.816 4.823 1.00 0.00 C ATOM 541 O ALA A 35 12.704 3.611 5.445 1.00 0.00 O ATOM 542 CB ALA A 35 13.828 5.629 3.116 1.00 0.00 C ATOM 0 H ALA A 35 11.824 4.336 2.458 1.00 0.00 H new ATOM 0 HA ALA A 35 14.563 3.649 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.743 5.995 3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.857 5.836 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.969 6.132 3.559 1.00 0.00 H new ATOM 548 N ALA A 36 14.927 3.759 5.383 1.00 0.00 N ATOM 549 CA ALA A 36 15.082 3.424 6.791 1.00 0.00 C ATOM 550 C ALA A 36 14.604 4.549 7.702 1.00 0.00 C ATOM 551 O ALA A 36 15.173 5.640 7.724 1.00 0.00 O ATOM 552 CB ALA A 36 16.535 3.078 7.080 1.00 0.00 C ATOM 0 H ALA A 36 15.802 3.939 4.890 1.00 0.00 H new ATOM 0 HA ALA A 36 14.456 2.557 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.647 2.828 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.834 2.225 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.167 3.933 6.841 1.00 0.00 H new ATOM 558 N VAL A 37 13.533 4.260 8.451 1.00 0.00 N ATOM 559 CA VAL A 37 12.942 5.229 9.371 1.00 0.00 C ATOM 560 C VAL A 37 12.828 4.653 10.785 1.00 0.00 C ATOM 561 O VAL A 37 13.350 3.580 11.070 1.00 0.00 O ATOM 562 CB VAL A 37 11.544 5.703 8.880 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.446 5.631 7.364 1.00 0.00 C ATOM 564 CG2 VAL A 37 10.422 4.889 9.515 1.00 0.00 C ATOM 0 H VAL A 37 13.059 3.357 8.435 1.00 0.00 H new ATOM 0 HA VAL A 37 13.609 6.091 9.397 1.00 0.00 H new ATOM 0 HB VAL A 37 11.429 6.742 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.459 5.968 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.208 6.271 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.601 4.603 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.460 5.248 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.541 3.838 9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.462 4.998 10.599 1.00 0.00 H new ATOM 574 N SER A 38 12.149 5.381 11.667 1.00 0.00 N ATOM 575 CA SER A 38 11.983 4.945 13.051 1.00 0.00 C ATOM 576 C SER A 38 10.727 4.093 13.243 1.00 0.00 C ATOM 577 O SER A 38 9.869 4.417 14.066 1.00 0.00 O ATOM 578 CB SER A 38 11.937 6.159 13.982 1.00 0.00 C ATOM 579 OG SER A 38 13.237 6.518 14.418 1.00 0.00 O ATOM 0 H SER A 38 11.706 6.273 11.449 1.00 0.00 H new ATOM 0 HA SER A 38 12.842 4.322 13.300 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.478 7.001 13.464 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.310 5.936 14.845 1.00 0.00 H new ATOM 0 HG SER A 38 13.180 7.297 15.010 1.00 0.00 H new ATOM 585 N GLU A 39 10.632 2.989 12.499 1.00 0.00 N ATOM 586 CA GLU A 39 9.492 2.069 12.605 1.00 0.00 C ATOM 587 C GLU A 39 8.246 2.575 11.869 1.00 0.00 C ATOM 588 O GLU A 39 7.318 1.807 11.618 1.00 0.00 O ATOM 589 CB GLU A 39 9.147 1.810 14.076 1.00 0.00 C ATOM 590 CG GLU A 39 8.353 0.534 14.300 1.00 0.00 C ATOM 591 CD GLU A 39 7.313 0.680 15.394 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.474 1.600 15.297 1.00 0.00 O ATOM 593 OE2 GLU A 39 7.339 -0.126 16.348 1.00 0.00 O ATOM 0 H GLU A 39 11.333 2.708 11.813 1.00 0.00 H new ATOM 0 HA GLU A 39 9.801 1.140 12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.070 1.759 14.653 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.576 2.655 14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.860 0.249 13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.037 -0.274 14.559 1.00 0.00 H new ATOM 600 N SER A 40 8.219 3.861 11.535 1.00 0.00 N ATOM 601 CA SER A 40 7.073 4.452 10.843 1.00 0.00 C ATOM 602 C SER A 40 6.698 3.679 9.575 1.00 0.00 C ATOM 603 O SER A 40 5.573 3.789 9.088 1.00 0.00 O ATOM 604 CB SER A 40 7.370 5.910 10.491 1.00 0.00 C ATOM 605 OG SER A 40 6.220 6.721 10.661 1.00 0.00 O ATOM 0 H SER A 40 8.976 4.516 11.731 1.00 0.00 H new ATOM 0 HA SER A 40 6.222 4.400 11.523 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.178 6.282 11.121 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.715 5.975 9.459 1.00 0.00 H new ATOM 0 HG SER A 40 6.437 7.649 10.431 1.00 0.00 H new ATOM 611 N GLN A 41 7.642 2.916 9.034 1.00 0.00 N ATOM 612 CA GLN A 41 7.397 2.149 7.809 1.00 0.00 C ATOM 613 C GLN A 41 6.637 0.857 8.077 1.00 0.00 C ATOM 614 O GLN A 41 5.922 0.357 7.208 1.00 0.00 O ATOM 615 CB GLN A 41 8.706 1.823 7.100 1.00 0.00 C ATOM 616 CG GLN A 41 9.877 1.510 8.025 1.00 0.00 C ATOM 617 CD GLN A 41 9.568 0.416 9.024 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.144 0.689 10.145 1.00 0.00 O ATOM 619 NE2 GLN A 41 9.781 -0.831 8.624 1.00 0.00 N ATOM 0 H GLN A 41 8.581 2.810 9.419 1.00 0.00 H new ATOM 0 HA GLN A 41 6.780 2.780 7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.543 0.969 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.978 2.666 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.737 1.213 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.160 2.415 8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.134 -1.012 7.684 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.592 -1.609 9.256 1.00 0.00 H new ATOM 628 N LEU A 42 6.802 0.311 9.269 1.00 0.00 N ATOM 629 CA LEU A 42 6.138 -0.932 9.630 1.00 0.00 C ATOM 630 C LEU A 42 4.719 -0.670 10.107 1.00 0.00 C ATOM 631 O LEU A 42 3.823 -1.491 9.913 1.00 0.00 O ATOM 632 CB LEU A 42 6.932 -1.658 10.716 1.00 0.00 C ATOM 633 CG LEU A 42 6.319 -2.974 11.192 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.942 -4.148 10.451 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.498 -3.134 12.694 1.00 0.00 C ATOM 0 H LEU A 42 7.389 0.707 10.003 1.00 0.00 H new ATOM 0 HA LEU A 42 6.090 -1.563 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.936 -1.857 10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.039 -0.993 11.573 1.00 0.00 H new ATOM 0 HG LEU A 42 5.251 -2.956 10.975 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.495 -5.078 10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.763 -4.040 9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.016 -4.168 10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.055 -4.077 13.015 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.561 -3.131 12.936 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.006 -2.309 13.209 1.00 0.00 H new ATOM 647 N ALA A 43 4.524 0.482 10.729 1.00 0.00 N ATOM 648 CA ALA A 43 3.215 0.860 11.234 1.00 0.00 C ATOM 649 C ALA A 43 2.390 1.550 10.157 1.00 0.00 C ATOM 650 O ALA A 43 1.162 1.469 10.158 1.00 0.00 O ATOM 651 CB ALA A 43 3.365 1.756 12.449 1.00 0.00 C ATOM 0 H ALA A 43 5.257 1.172 10.896 1.00 0.00 H new ATOM 0 HA ALA A 43 2.686 -0.046 11.528 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.379 2.034 12.820 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.909 1.223 13.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.915 2.655 12.172 1.00 0.00 H new ATOM 657 N GLN A 44 3.066 2.225 9.228 1.00 0.00 N ATOM 658 CA GLN A 44 2.373 2.913 8.145 1.00 0.00 C ATOM 659 C GLN A 44 1.729 1.898 7.212 1.00 0.00 C ATOM 660 O GLN A 44 0.605 2.085 6.747 1.00 0.00 O ATOM 661 CB GLN A 44 3.340 3.804 7.365 1.00 0.00 C ATOM 662 CG GLN A 44 3.508 5.191 7.967 1.00 0.00 C ATOM 663 CD GLN A 44 4.640 5.971 7.328 1.00 0.00 C ATOM 664 OE1 GLN A 44 5.567 5.391 6.763 1.00 0.00 O ATOM 665 NE2 GLN A 44 4.570 7.294 7.417 1.00 0.00 N ATOM 0 H GLN A 44 4.082 2.309 9.205 1.00 0.00 H new ATOM 0 HA GLN A 44 1.596 3.544 8.577 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.314 3.316 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.984 3.902 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.578 5.748 7.852 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.694 5.098 9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.783 7.732 7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.304 7.872 7.007 1.00 0.00 H new ATOM 674 N LEU A 45 2.454 0.818 6.952 1.00 0.00 N ATOM 675 CA LEU A 45 1.970 -0.245 6.084 1.00 0.00 C ATOM 676 C LEU A 45 0.990 -1.146 6.827 1.00 0.00 C ATOM 677 O LEU A 45 -0.018 -1.580 6.270 1.00 0.00 O ATOM 678 CB LEU A 45 3.145 -1.064 5.560 1.00 0.00 C ATOM 679 CG LEU A 45 4.271 -0.242 4.934 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.420 -1.140 4.508 1.00 0.00 C ATOM 681 CD2 LEU A 45 3.752 0.572 3.760 1.00 0.00 C ATOM 0 H LEU A 45 3.386 0.655 7.333 1.00 0.00 H new ATOM 0 HA LEU A 45 1.446 0.207 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.556 -1.650 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.775 -1.771 4.818 1.00 0.00 H new ATOM 0 HG LEU A 45 4.647 0.452 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.210 -0.534 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.811 -1.667 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.064 -1.864 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.569 1.150 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.343 -0.099 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.971 1.250 4.104 1.00 0.00 H new ATOM 692 N LYS A 46 1.297 -1.420 8.090 1.00 0.00 N ATOM 693 CA LYS A 46 0.448 -2.268 8.920 1.00 0.00 C ATOM 694 C LYS A 46 -0.951 -1.673 9.060 1.00 0.00 C ATOM 695 O LYS A 46 -1.927 -2.399 9.251 1.00 0.00 O ATOM 696 CB LYS A 46 1.074 -2.453 10.303 1.00 0.00 C ATOM 697 CG LYS A 46 1.963 -3.681 10.411 1.00 0.00 C ATOM 698 CD LYS A 46 2.372 -3.948 11.851 1.00 0.00 C ATOM 699 CE LYS A 46 1.491 -5.005 12.498 1.00 0.00 C ATOM 700 NZ LYS A 46 2.277 -6.192 12.937 1.00 0.00 N ATOM 0 H LYS A 46 2.129 -1.067 8.563 1.00 0.00 H new ATOM 0 HA LYS A 46 0.362 -3.239 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.661 -1.568 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.279 -2.524 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.436 -4.549 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.854 -3.542 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.412 -4.273 11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.311 -3.023 12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.977 -4.573 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.723 -5.319 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.640 -6.889 13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.748 -6.620 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.993 -5.897 13.631 1.00 0.00 H new ATOM 714 N ALA A 47 -1.042 -0.350 8.966 1.00 0.00 N ATOM 715 CA ALA A 47 -2.321 0.343 9.084 1.00 0.00 C ATOM 716 C ALA A 47 -3.360 -0.244 8.134 1.00 0.00 C ATOM 717 O ALA A 47 -4.559 -0.220 8.417 1.00 0.00 O ATOM 718 CB ALA A 47 -2.140 1.830 8.819 1.00 0.00 C ATOM 0 H ALA A 47 -0.244 0.265 8.808 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.685 0.206 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.101 2.335 8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.441 2.246 9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.748 1.975 7.812 1.00 0.00 H new ATOM 724 N ASP A 48 -2.894 -0.769 7.006 1.00 0.00 N ATOM 725 CA ASP A 48 -3.785 -1.361 6.014 1.00 0.00 C ATOM 726 C ASP A 48 -3.580 -2.875 5.935 1.00 0.00 C ATOM 727 O ASP A 48 -2.490 -3.342 5.603 1.00 0.00 O ATOM 728 CB ASP A 48 -3.544 -0.727 4.642 1.00 0.00 C ATOM 729 CG ASP A 48 -4.814 -0.167 4.033 1.00 0.00 C ATOM 730 OD1 ASP A 48 -5.437 0.712 4.665 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.185 -0.606 2.925 1.00 0.00 O ATOM 0 H ASP A 48 -1.906 -0.797 6.756 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.813 -1.168 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.808 0.071 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.120 -1.473 3.970 1.00 0.00 H new ATOM 736 N PRO A 49 -4.624 -3.666 6.245 1.00 0.00 N ATOM 737 CA PRO A 49 -4.548 -5.125 6.212 1.00 0.00 C ATOM 738 C PRO A 49 -4.814 -5.699 4.823 1.00 0.00 C ATOM 739 O PRO A 49 -5.522 -6.697 4.681 1.00 0.00 O ATOM 740 CB PRO A 49 -5.654 -5.533 7.178 1.00 0.00 C ATOM 741 CG PRO A 49 -6.693 -4.475 7.020 1.00 0.00 C ATOM 742 CD PRO A 49 -5.964 -3.202 6.663 1.00 0.00 C ATOM 0 HA PRO A 49 -3.557 -5.494 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.050 -6.519 6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.288 -5.581 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.405 -4.745 6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.262 -4.350 7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.469 -2.664 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.905 -2.523 7.514 1.00 0.00 H new ATOM 750 N ARG A 50 -4.244 -5.069 3.800 1.00 0.00 N ATOM 751 CA ARG A 50 -4.424 -5.525 2.425 1.00 0.00 C ATOM 752 C ARG A 50 -3.079 -5.888 1.798 1.00 0.00 C ATOM 753 O ARG A 50 -2.972 -6.869 1.063 1.00 0.00 O ATOM 754 CB ARG A 50 -5.126 -4.452 1.586 1.00 0.00 C ATOM 755 CG ARG A 50 -6.068 -3.565 2.387 1.00 0.00 C ATOM 756 CD ARG A 50 -7.067 -2.855 1.488 1.00 0.00 C ATOM 757 NE ARG A 50 -8.273 -3.651 1.273 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.269 -3.740 2.151 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.207 -3.089 3.306 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.332 -4.484 1.874 1.00 0.00 N ATOM 0 H ARG A 50 -3.654 -4.242 3.897 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.051 -6.416 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.372 -3.827 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.689 -4.938 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.603 -4.169 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.489 -2.827 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.339 -1.898 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.600 -2.638 0.527 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.357 -4.169 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.392 -2.516 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.974 -3.162 3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.385 -4.987 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.096 -4.553 2.547 1.00 0.00 H new ATOM 774 N LEU A 51 -2.054 -5.098 2.106 1.00 0.00 N ATOM 775 CA LEU A 51 -0.715 -5.348 1.585 1.00 0.00 C ATOM 776 C LEU A 51 0.150 -6.014 2.653 1.00 0.00 C ATOM 777 O LEU A 51 -0.320 -6.284 3.758 1.00 0.00 O ATOM 778 CB LEU A 51 -0.059 -4.042 1.114 1.00 0.00 C ATOM 779 CG LEU A 51 -0.984 -3.056 0.388 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.850 -3.776 -0.638 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.847 -2.296 1.386 1.00 0.00 C ATOM 0 H LEU A 51 -2.126 -4.281 2.713 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.801 -6.017 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.369 -3.539 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.768 -4.292 0.450 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.362 -2.336 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.496 -3.055 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.212 -4.264 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.462 -4.525 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.496 -1.602 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.457 -3.001 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.207 -1.740 2.071 1.00 0.00 H new ATOM 793 N VAL A 52 1.410 -6.286 2.322 1.00 0.00 N ATOM 794 CA VAL A 52 2.321 -6.928 3.264 1.00 0.00 C ATOM 795 C VAL A 52 3.511 -6.032 3.595 1.00 0.00 C ATOM 796 O VAL A 52 4.091 -5.407 2.710 1.00 0.00 O ATOM 797 CB VAL A 52 2.840 -8.271 2.712 1.00 0.00 C ATOM 798 CG1 VAL A 52 1.687 -9.113 2.195 1.00 0.00 C ATOM 799 CG2 VAL A 52 3.872 -8.048 1.612 1.00 0.00 C ATOM 0 H VAL A 52 1.821 -6.073 1.413 1.00 0.00 H new ATOM 0 HA VAL A 52 1.751 -7.109 4.175 1.00 0.00 H new ATOM 0 HB VAL A 52 3.325 -8.807 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.071 -10.057 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.988 -9.310 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.174 -8.576 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.222 -9.011 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.418 -7.487 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.716 -7.486 2.013 1.00 0.00 H new ATOM 809 N VAL A 53 3.878 -5.985 4.872 1.00 0.00 N ATOM 810 CA VAL A 53 5.012 -5.174 5.306 1.00 0.00 C ATOM 811 C VAL A 53 6.016 -6.014 6.087 1.00 0.00 C ATOM 812 O VAL A 53 5.727 -6.494 7.183 1.00 0.00 O ATOM 813 CB VAL A 53 4.557 -3.970 6.152 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.670 -4.409 7.307 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.746 -3.167 6.663 1.00 0.00 C ATOM 0 H VAL A 53 3.410 -6.495 5.621 1.00 0.00 H new ATOM 0 HA VAL A 53 5.498 -4.792 4.408 1.00 0.00 H new ATOM 0 HB VAL A 53 3.969 -3.322 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.366 -3.536 7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.785 -4.911 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.222 -5.095 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.389 -2.325 7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.377 -3.805 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.325 -2.795 5.817 1.00 0.00 H new ATOM 825 N GLN A 54 7.196 -6.191 5.503 1.00 0.00 N ATOM 826 CA GLN A 54 8.253 -6.982 6.128 1.00 0.00 C ATOM 827 C GLN A 54 9.563 -6.203 6.195 1.00 0.00 C ATOM 828 O GLN A 54 9.965 -5.565 5.222 1.00 0.00 O ATOM 829 CB GLN A 54 8.464 -8.287 5.357 1.00 0.00 C ATOM 830 CG GLN A 54 7.401 -9.338 5.639 1.00 0.00 C ATOM 831 CD GLN A 54 6.733 -9.847 4.376 1.00 0.00 C ATOM 832 OE1 GLN A 54 7.402 -10.232 3.418 1.00 0.00 O ATOM 833 NE2 GLN A 54 5.405 -9.849 4.369 1.00 0.00 N ATOM 0 H GLN A 54 7.446 -5.797 4.596 1.00 0.00 H new ATOM 0 HA GLN A 54 7.940 -7.211 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.475 -8.071 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.443 -8.695 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.855 -10.176 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.645 -8.916 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.890 -9.521 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.900 -10.179 3.547 1.00 0.00 H new ATOM 842 N ILE A 55 10.227 -6.267 7.346 1.00 0.00 N ATOM 843 CA ILE A 55 11.495 -5.572 7.543 1.00 0.00 C ATOM 844 C ILE A 55 12.676 -6.435 7.119 1.00 0.00 C ATOM 845 O ILE A 55 12.960 -7.464 7.733 1.00 0.00 O ATOM 846 CB ILE A 55 11.679 -5.156 9.015 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.630 -6.387 9.924 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.612 -4.149 9.417 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.960 -6.718 10.566 1.00 0.00 C ATOM 0 H ILE A 55 9.907 -6.795 8.158 1.00 0.00 H new ATOM 0 HA ILE A 55 11.465 -4.680 6.917 1.00 0.00 H new ATOM 0 HB ILE A 55 12.655 -4.684 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.889 -6.222 10.706 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.293 -7.245 9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.755 -3.864 10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.690 -3.264 8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.625 -4.596 9.295 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.850 -7.601 11.196 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.699 -6.916 9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.289 -5.876 11.175 1.00 0.00 H new ATOM 861 N THR A 56 13.367 -6.004 6.067 1.00 0.00 N ATOM 862 CA THR A 56 14.524 -6.731 5.560 1.00 0.00 C ATOM 863 C THR A 56 15.761 -5.839 5.556 1.00 0.00 C ATOM 864 O THR A 56 15.905 -4.964 4.703 1.00 0.00 O ATOM 865 CB THR A 56 14.248 -7.252 4.149 1.00 0.00 C ATOM 866 OG1 THR A 56 13.260 -6.465 3.508 1.00 0.00 O ATOM 867 CG2 THR A 56 13.778 -8.691 4.123 1.00 0.00 C ATOM 0 H THR A 56 13.144 -5.154 5.549 1.00 0.00 H new ATOM 0 HA THR A 56 14.710 -7.579 6.219 1.00 0.00 H new ATOM 0 HB THR A 56 15.203 -7.190 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.099 -6.813 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.601 -8.997 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.541 -9.331 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.853 -8.782 4.693 1.00 0.00 H new ATOM 1312 N LEU A 89 -4.395 -21.681 2.508 1.00 0.00 N ATOM 1313 CA LEU A 89 -4.447 -21.387 1.079 1.00 0.00 C ATOM 1314 C LEU A 89 -4.149 -22.633 0.251 1.00 0.00 C ATOM 1315 O LEU A 89 -4.871 -22.949 -0.694 1.00 0.00 O ATOM 1316 CB LEU A 89 -3.454 -20.277 0.732 1.00 0.00 C ATOM 1317 CG LEU A 89 -3.565 -19.733 -0.692 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -4.989 -19.283 -0.983 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -2.589 -18.586 -0.901 1.00 0.00 C ATOM 0 HA LEU A 89 -5.456 -21.052 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.594 -19.453 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.443 -20.655 0.883 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.310 -20.533 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.048 -18.899 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.667 -20.129 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.273 -18.498 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.681 -18.211 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.814 -17.784 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.571 -18.940 -0.736 1.00 0.00 H new ATOM 1331 N ASN A 90 -3.076 -23.335 0.608 1.00 0.00 N ATOM 1332 CA ASN A 90 -2.679 -24.547 -0.107 1.00 0.00 C ATOM 1333 C ASN A 90 -3.862 -25.499 -0.295 1.00 0.00 C ATOM 1334 O ASN A 90 -4.032 -26.080 -1.367 1.00 0.00 O ATOM 1335 CB ASN A 90 -1.548 -25.262 0.636 1.00 0.00 C ATOM 1336 CG ASN A 90 -1.761 -25.291 2.137 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -2.667 -25.959 2.634 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -0.924 -24.562 2.867 1.00 0.00 N ATOM 0 H ASN A 90 -2.466 -23.086 1.387 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.325 -24.246 -1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.464 -26.284 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.603 -24.765 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.018 -24.541 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.187 -24.023 2.412 1.00 0.00 H new ATOM 1345 N THR A 91 -4.669 -25.665 0.749 1.00 0.00 N ATOM 1346 CA THR A 91 -5.823 -26.559 0.687 1.00 0.00 C ATOM 1347 C THR A 91 -6.839 -26.115 -0.372 1.00 0.00 C ATOM 1348 O THR A 91 -7.710 -26.894 -0.762 1.00 0.00 O ATOM 1349 CB THR A 91 -6.504 -26.637 2.054 1.00 0.00 C ATOM 1350 OG1 THR A 91 -5.570 -26.991 3.059 1.00 0.00 O ATOM 1351 CG2 THR A 91 -7.634 -27.643 2.102 1.00 0.00 C ATOM 0 H THR A 91 -4.547 -25.194 1.646 1.00 0.00 H new ATOM 0 HA THR A 91 -5.454 -27.544 0.402 1.00 0.00 H new ATOM 0 HB THR A 91 -6.916 -25.643 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.694 -26.609 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.074 -27.649 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 91 -8.395 -27.370 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.248 -28.636 1.870 1.00 0.00 H new ATOM 1359 N PHE A 92 -6.730 -24.872 -0.843 1.00 0.00 N ATOM 1360 CA PHE A 92 -7.644 -24.358 -1.857 1.00 0.00 C ATOM 1361 C PHE A 92 -7.047 -24.547 -3.251 1.00 0.00 C ATOM 1362 O PHE A 92 -6.310 -23.693 -3.744 1.00 0.00 O ATOM 1363 CB PHE A 92 -7.948 -22.879 -1.588 1.00 0.00 C ATOM 1364 CG PHE A 92 -8.777 -22.660 -0.353 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -8.230 -22.844 0.906 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -10.106 -22.276 -0.452 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -8.990 -22.647 2.043 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -10.870 -22.077 0.682 1.00 0.00 C ATOM 1369 CZ PHE A 92 -10.312 -22.263 1.931 1.00 0.00 C ATOM 0 H PHE A 92 -6.020 -24.207 -0.538 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.579 -24.916 -1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.009 -22.334 -1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.471 -22.460 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.197 -23.145 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -10.549 -22.131 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.551 -22.793 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.903 -21.776 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.908 -22.109 2.818 1.00 0.00 H new ATOM 1379 N THR A 93 -7.357 -25.685 -3.871 1.00 0.00 N ATOM 1380 CA THR A 93 -6.843 -26.010 -5.201 1.00 0.00 C ATOM 1381 C THR A 93 -7.373 -25.043 -6.267 1.00 0.00 C ATOM 1382 O THR A 93 -6.920 -23.901 -6.345 1.00 0.00 O ATOM 1383 CB THR A 93 -7.188 -27.458 -5.560 1.00 0.00 C ATOM 1384 OG1 THR A 93 -8.530 -27.753 -5.218 1.00 0.00 O ATOM 1385 CG2 THR A 93 -6.305 -28.474 -4.869 1.00 0.00 C ATOM 0 H THR A 93 -7.964 -26.400 -3.471 1.00 0.00 H new ATOM 0 HA THR A 93 -5.759 -25.901 -5.177 1.00 0.00 H new ATOM 0 HB THR A 93 -7.028 -27.534 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.732 -28.682 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.604 -29.479 -5.168 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.266 -28.305 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.408 -28.371 -3.789 1.00 0.00 H new ATOM 1393 N VAL A 94 -8.319 -25.498 -7.094 1.00 0.00 N ATOM 1394 CA VAL A 94 -8.876 -24.654 -8.148 1.00 0.00 C ATOM 1395 C VAL A 94 -10.401 -24.713 -8.168 1.00 0.00 C ATOM 1396 O VAL A 94 -11.074 -23.689 -8.057 1.00 0.00 O ATOM 1397 CB VAL A 94 -8.335 -25.055 -9.536 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -8.725 -24.020 -10.579 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -6.825 -25.230 -9.488 1.00 0.00 C ATOM 0 H VAL A 94 -8.711 -26.439 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.565 -23.633 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.780 -26.009 -9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.335 -24.319 -11.552 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.811 -23.947 -10.630 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.309 -23.051 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.460 -25.513 -10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.360 -24.292 -9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.572 -26.010 -8.770 1.00 0.00 H new ATOM 1409 N GLU A 95 -10.937 -25.919 -8.301 1.00 0.00 N ATOM 1410 CA GLU A 95 -12.380 -26.127 -8.328 1.00 0.00 C ATOM 1411 C GLU A 95 -13.013 -25.763 -6.988 1.00 0.00 C ATOM 1412 O GLU A 95 -14.217 -25.523 -6.903 1.00 0.00 O ATOM 1413 CB GLU A 95 -12.701 -27.580 -8.681 1.00 0.00 C ATOM 1414 CG GLU A 95 -12.066 -28.590 -7.740 1.00 0.00 C ATOM 1415 CD GLU A 95 -12.441 -30.019 -8.079 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -13.586 -30.420 -7.782 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -11.589 -30.738 -8.645 1.00 0.00 O ATOM 0 H GLU A 95 -10.390 -26.775 -8.393 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.799 -25.473 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.782 -27.717 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.363 -27.781 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.982 -28.484 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.372 -28.371 -6.717 1.00 0.00 H new ATOM 1424 N GLN A 96 -12.192 -25.728 -5.944 1.00 0.00 N ATOM 1425 CA GLN A 96 -12.663 -25.400 -4.605 1.00 0.00 C ATOM 1426 C GLN A 96 -12.759 -23.895 -4.437 1.00 0.00 C ATOM 1427 O GLN A 96 -13.486 -23.398 -3.577 1.00 0.00 O ATOM 1428 CB GLN A 96 -11.720 -25.986 -3.552 1.00 0.00 C ATOM 1429 CG GLN A 96 -12.442 -26.685 -2.412 1.00 0.00 C ATOM 1430 CD GLN A 96 -11.805 -28.011 -2.045 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -12.347 -29.077 -2.339 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -10.646 -27.952 -1.398 1.00 0.00 N ATOM 0 H GLN A 96 -11.193 -25.924 -6.001 1.00 0.00 H new ATOM 0 HA GLN A 96 -13.654 -25.834 -4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -11.046 -26.695 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.102 -25.186 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.448 -26.035 -1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -13.482 -26.851 -2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.232 -27.047 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.170 -28.812 -1.125 1.00 0.00 H new ATOM 1441 N LEU A 97 -12.027 -23.177 -5.273 1.00 0.00 N ATOM 1442 CA LEU A 97 -12.031 -21.729 -5.232 1.00 0.00 C ATOM 1443 C LEU A 97 -13.334 -21.223 -5.825 1.00 0.00 C ATOM 1444 O LEU A 97 -14.112 -20.523 -5.174 1.00 0.00 O ATOM 1445 CB LEU A 97 -10.863 -21.159 -6.046 1.00 0.00 C ATOM 1446 CG LEU A 97 -9.440 -21.579 -5.653 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -9.387 -22.976 -5.053 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -8.554 -21.507 -6.879 1.00 0.00 C ATOM 0 H LEU A 97 -11.422 -23.578 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.929 -21.407 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.017 -21.435 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.917 -20.072 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.087 -20.894 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.357 -23.222 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.006 -23.010 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.760 -23.698 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.539 -21.803 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.939 -22.179 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.545 -20.487 -7.262 1.00 0.00 H new ATOM 1460 N LYS A 98 -13.557 -21.600 -7.074 1.00 0.00 N ATOM 1461 CA LYS A 98 -14.759 -21.213 -7.799 1.00 0.00 C ATOM 1462 C LYS A 98 -16.023 -21.710 -7.101 1.00 0.00 C ATOM 1463 O LYS A 98 -17.080 -21.089 -7.203 1.00 0.00 O ATOM 1464 CB LYS A 98 -14.704 -21.758 -9.228 1.00 0.00 C ATOM 1465 CG LYS A 98 -14.578 -23.270 -9.298 1.00 0.00 C ATOM 1466 CD LYS A 98 -13.927 -23.711 -10.600 1.00 0.00 C ATOM 1467 CE LYS A 98 -12.532 -23.122 -10.754 1.00 0.00 C ATOM 1468 NZ LYS A 98 -11.572 -24.109 -11.319 1.00 0.00 N ATOM 0 H LYS A 98 -12.914 -22.180 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.798 -20.124 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.605 -21.452 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.859 -21.307 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.987 -23.627 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.565 -23.724 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.869 -24.799 -10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.548 -23.403 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.577 -22.247 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.173 -22.781 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.754 -23.607 -11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.249 -24.750 -10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.041 -24.661 -12.066 1.00 0.00 H new ATOM 1482 N ALA A 99 -15.916 -22.836 -6.398 1.00 0.00 N ATOM 1483 CA ALA A 99 -17.065 -23.404 -5.699 1.00 0.00 C ATOM 1484 C ALA A 99 -17.257 -22.777 -4.331 1.00 0.00 C ATOM 1485 O ALA A 99 -18.367 -22.743 -3.797 1.00 0.00 O ATOM 1486 CB ALA A 99 -16.923 -24.913 -5.581 1.00 0.00 C ATOM 0 H ALA A 99 -15.052 -23.369 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 99 -17.954 -23.180 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -17.788 -25.320 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.862 -25.352 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.017 -25.151 -5.024 1.00 0.00 H new ATOM 1492 N GLN A 100 -16.175 -22.276 -3.773 1.00 0.00 N ATOM 1493 CA GLN A 100 -16.216 -21.636 -2.467 1.00 0.00 C ATOM 1494 C GLN A 100 -16.570 -20.162 -2.602 1.00 0.00 C ATOM 1495 O GLN A 100 -17.275 -19.602 -1.763 1.00 0.00 O ATOM 1496 CB GLN A 100 -14.875 -21.792 -1.746 1.00 0.00 C ATOM 1497 CG GLN A 100 -14.672 -23.166 -1.128 1.00 0.00 C ATOM 1498 CD GLN A 100 -14.883 -23.167 0.373 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -15.988 -22.922 0.856 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -13.820 -23.444 1.120 1.00 0.00 N ATOM 0 H GLN A 100 -15.250 -22.298 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.988 -22.127 -1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.068 -21.598 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.803 -21.037 -0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.362 -23.873 -1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.663 -23.515 -1.350 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.923 -23.641 0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.901 -23.459 2.137 1.00 0.00 H new ATOM 1509 N LEU A 101 -16.076 -19.536 -3.667 1.00 0.00 N ATOM 1510 CA LEU A 101 -16.341 -18.124 -3.911 1.00 0.00 C ATOM 1511 C LEU A 101 -17.839 -17.880 -4.012 1.00 0.00 C ATOM 1512 O LEU A 101 -18.378 -16.968 -3.384 1.00 0.00 O ATOM 1513 CB LEU A 101 -15.658 -17.661 -5.201 1.00 0.00 C ATOM 1514 CG LEU A 101 -14.257 -17.061 -5.035 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -13.805 -16.405 -6.331 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -14.225 -16.056 -3.888 1.00 0.00 C ATOM 0 H LEU A 101 -15.491 -19.984 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.938 -17.553 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.591 -18.511 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -16.296 -16.919 -5.682 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.567 -17.870 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.809 -15.984 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.780 -17.150 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.502 -15.611 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.220 -15.645 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.929 -15.249 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.504 -16.555 -2.960 1.00 0.00 H new ATOM 1528 N THR A 102 -18.506 -18.708 -4.804 1.00 0.00 N ATOM 1529 CA THR A 102 -19.943 -18.594 -4.986 1.00 0.00 C ATOM 1530 C THR A 102 -20.658 -18.942 -3.694 1.00 0.00 C ATOM 1531 O THR A 102 -21.656 -18.318 -3.332 1.00 0.00 O ATOM 1532 CB THR A 102 -20.417 -19.510 -6.113 1.00 0.00 C ATOM 1533 OG1 THR A 102 -19.433 -20.483 -6.423 1.00 0.00 O ATOM 1534 CG2 THR A 102 -20.742 -18.758 -7.380 1.00 0.00 C ATOM 0 H THR A 102 -18.073 -19.466 -5.331 1.00 0.00 H new ATOM 0 HA THR A 102 -20.178 -17.565 -5.257 1.00 0.00 H new ATOM 0 HB THR A 102 -21.326 -19.985 -5.743 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.707 -20.064 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 102 -21.073 -19.460 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 102 -21.535 -18.037 -7.182 1.00 0.00 H new ATOM 0 HG23 THR A 102 -19.853 -18.233 -7.730 1.00 0.00 H new ATOM 1542 N GLU A 103 -20.137 -19.943 -2.997 1.00 0.00 N ATOM 1543 CA GLU A 103 -20.724 -20.370 -1.738 1.00 0.00 C ATOM 1544 C GLU A 103 -20.343 -19.424 -0.603 1.00 0.00 C ATOM 1545 O GLU A 103 -20.843 -19.548 0.515 1.00 0.00 O ATOM 1546 CB GLU A 103 -20.297 -21.799 -1.401 1.00 0.00 C ATOM 1547 CG GLU A 103 -20.759 -22.828 -2.420 1.00 0.00 C ATOM 1548 CD GLU A 103 -22.233 -23.157 -2.287 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -23.046 -22.214 -2.190 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -22.574 -24.359 -2.282 1.00 0.00 O ATOM 0 H GLU A 103 -19.312 -20.471 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 103 -21.808 -20.346 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.210 -21.837 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.693 -22.066 -0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -20.563 -22.453 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.174 -23.740 -2.301 1.00 0.00 H new ATOM 1557 N ARG A 104 -19.458 -18.482 -0.899 1.00 0.00 N ATOM 1558 CA ARG A 104 -19.011 -17.511 0.095 1.00 0.00 C ATOM 1559 C ARG A 104 -19.685 -16.156 -0.112 1.00 0.00 C ATOM 1560 O ARG A 104 -19.662 -15.302 0.774 1.00 0.00 O ATOM 1561 CB ARG A 104 -17.491 -17.351 0.034 1.00 0.00 C ATOM 1562 CG ARG A 104 -16.920 -16.528 1.179 1.00 0.00 C ATOM 1563 CD ARG A 104 -15.566 -17.056 1.623 1.00 0.00 C ATOM 1564 NE ARG A 104 -15.673 -17.912 2.803 1.00 0.00 N ATOM 1565 CZ ARG A 104 -15.816 -17.450 4.043 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -15.874 -16.144 4.270 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -15.904 -18.297 5.059 1.00 0.00 N ATOM 0 H ARG A 104 -19.034 -18.368 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.294 -17.886 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -17.029 -18.338 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -17.221 -16.880 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -16.822 -15.488 0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -17.612 -16.545 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -15.111 -17.618 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.904 -16.218 1.842 1.00 0.00 H new ATOM 0 HE ARG A 104 -15.636 -18.922 2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.809 -15.488 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.984 -15.796 5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.862 -19.302 4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.014 -17.944 6.010 1.00 0.00 H new ATOM 1581 N GLY A 105 -20.289 -15.964 -1.283 1.00 0.00 N ATOM 1582 CA GLY A 105 -20.962 -14.709 -1.572 1.00 0.00 C ATOM 1583 C GLY A 105 -20.122 -13.771 -2.416 1.00 0.00 C ATOM 1584 O GLY A 105 -20.153 -12.556 -2.219 1.00 0.00 O ATOM 0 H GLY A 105 -20.324 -16.653 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -21.899 -14.915 -2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -21.218 -14.215 -0.635 1.00 0.00 H new ATOM 1588 N ILE A 106 -19.371 -14.331 -3.359 1.00 0.00 N ATOM 1589 CA ILE A 106 -18.524 -13.530 -4.235 1.00 0.00 C ATOM 1590 C ILE A 106 -18.529 -14.078 -5.660 1.00 0.00 C ATOM 1591 O ILE A 106 -17.721 -14.940 -6.005 1.00 0.00 O ATOM 1592 CB ILE A 106 -17.071 -13.482 -3.724 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -17.040 -13.110 -2.241 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -16.254 -12.493 -4.541 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -16.976 -14.308 -1.320 1.00 0.00 C ATOM 0 H ILE A 106 -19.332 -15.335 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.937 -12.521 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 106 -16.629 -14.471 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -16.178 -12.471 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -17.928 -12.525 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -15.230 -12.471 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -16.252 -12.799 -5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -16.693 -11.499 -4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -16.957 -13.970 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -17.852 -14.937 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -16.073 -14.882 -1.531 1.00 0.00 H new ATOM 1607 N THR A 107 -19.445 -13.574 -6.483 1.00 0.00 N ATOM 1608 CA THR A 107 -19.552 -14.018 -7.868 1.00 0.00 C ATOM 1609 C THR A 107 -18.255 -13.754 -8.628 1.00 0.00 C ATOM 1610 O THR A 107 -17.442 -12.924 -8.220 1.00 0.00 O ATOM 1611 CB THR A 107 -20.717 -13.310 -8.563 1.00 0.00 C ATOM 1612 OG1 THR A 107 -20.804 -13.703 -9.920 1.00 0.00 O ATOM 1613 CG2 THR A 107 -20.606 -11.800 -8.529 1.00 0.00 C ATOM 0 H THR A 107 -20.122 -12.860 -6.215 1.00 0.00 H new ATOM 0 HA THR A 107 -19.737 -15.092 -7.865 1.00 0.00 H new ATOM 0 HB THR A 107 -21.607 -13.606 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 107 -21.556 -13.241 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 107 -21.463 -11.361 -9.039 1.00 0.00 H new ATOM 0 HG22 THR A 107 -20.586 -11.460 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 107 -19.689 -11.491 -9.030 1.00 0.00 H new ATOM 1621 N PHE A 108 -18.069 -14.467 -9.733 1.00 0.00 N ATOM 1622 CA PHE A 108 -16.871 -14.313 -10.552 1.00 0.00 C ATOM 1623 C PHE A 108 -17.177 -14.613 -12.017 1.00 0.00 C ATOM 1624 O PHE A 108 -16.781 -15.653 -12.545 1.00 0.00 O ATOM 1625 CB PHE A 108 -15.760 -15.237 -10.047 1.00 0.00 C ATOM 1626 CG PHE A 108 -16.170 -16.681 -9.963 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -17.166 -17.081 -9.087 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -15.561 -17.636 -10.761 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -17.548 -18.407 -9.008 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -15.939 -18.963 -10.687 1.00 0.00 C ATOM 1631 CZ PHE A 108 -16.934 -19.349 -9.809 1.00 0.00 C ATOM 0 H PHE A 108 -18.733 -15.158 -10.083 1.00 0.00 H new ATOM 0 HA PHE A 108 -16.534 -13.279 -10.474 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -14.898 -15.151 -10.709 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -15.440 -14.901 -9.061 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -17.650 -16.348 -8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.782 -17.340 -11.448 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -18.326 -18.706 -8.321 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -15.457 -19.698 -11.315 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.231 -20.386 -9.750 1.00 0.00 H new ATOM 1641 N LYS A 109 -17.888 -13.697 -12.666 1.00 0.00 N ATOM 1642 CA LYS A 109 -18.253 -13.862 -14.067 1.00 0.00 C ATOM 1643 C LYS A 109 -17.018 -13.834 -14.963 1.00 0.00 C ATOM 1644 O LYS A 109 -16.652 -14.846 -15.563 1.00 0.00 O ATOM 1645 CB LYS A 109 -19.232 -12.766 -14.494 1.00 0.00 C ATOM 1646 CG LYS A 109 -19.955 -13.069 -15.796 1.00 0.00 C ATOM 1647 CD LYS A 109 -20.422 -11.796 -16.483 1.00 0.00 C ATOM 1648 CE LYS A 109 -20.752 -12.042 -17.947 1.00 0.00 C ATOM 1649 NZ LYS A 109 -21.928 -11.244 -18.392 1.00 0.00 N ATOM 0 H LYS A 109 -18.223 -12.832 -12.243 1.00 0.00 H new ATOM 0 HA LYS A 109 -18.734 -14.834 -14.176 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -19.969 -12.621 -13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -18.689 -11.827 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -19.292 -13.621 -16.462 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -20.813 -13.712 -15.596 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -21.302 -11.407 -15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -19.646 -11.034 -16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -19.888 -11.789 -18.562 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -20.953 -13.102 -18.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -22.121 -11.440 -19.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -22.759 -11.503 -17.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -21.727 -10.231 -18.269 1.00 0.00 H new ATOM 1663 N GLN A 110 -16.381 -12.670 -15.053 1.00 0.00 N ATOM 1664 CA GLN A 110 -15.189 -12.516 -15.879 1.00 0.00 C ATOM 1665 C GLN A 110 -14.158 -11.629 -15.189 1.00 0.00 C ATOM 1666 O GLN A 110 -13.415 -10.899 -15.845 1.00 0.00 O ATOM 1667 CB GLN A 110 -15.560 -11.923 -17.240 1.00 0.00 C ATOM 1668 CG GLN A 110 -14.813 -12.553 -18.403 1.00 0.00 C ATOM 1669 CD GLN A 110 -15.454 -13.840 -18.880 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -16.655 -14.050 -18.706 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -14.657 -14.711 -19.487 1.00 0.00 N ATOM 0 H GLN A 110 -16.670 -11.822 -14.565 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.750 -13.503 -16.027 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.631 -12.044 -17.399 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -15.358 -10.852 -17.227 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.772 -11.844 -19.230 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.784 -12.753 -18.103 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.667 -14.497 -19.610 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.034 -15.594 -19.830 1.00 0.00 H new ATOM 1680 N SER A 111 -14.116 -11.700 -13.863 1.00 0.00 N ATOM 1681 CA SER A 111 -13.173 -10.904 -13.085 1.00 0.00 C ATOM 1682 C SER A 111 -12.121 -11.793 -12.432 1.00 0.00 C ATOM 1683 O SER A 111 -10.962 -11.401 -12.290 1.00 0.00 O ATOM 1684 CB SER A 111 -13.913 -10.099 -12.014 1.00 0.00 C ATOM 1685 OG SER A 111 -14.402 -8.878 -12.542 1.00 0.00 O ATOM 0 H SER A 111 -14.723 -12.300 -13.305 1.00 0.00 H new ATOM 0 HA SER A 111 -12.671 -10.215 -13.764 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.742 -10.687 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.242 -9.895 -11.179 1.00 0.00 H new ATOM 0 HG SER A 111 -14.872 -8.383 -11.839 1.00 0.00 H new ATOM 1691 N ALA A 112 -12.530 -12.995 -12.040 1.00 0.00 N ATOM 1692 CA ALA A 112 -11.621 -13.943 -11.406 1.00 0.00 C ATOM 1693 C ALA A 112 -11.518 -15.226 -12.222 1.00 0.00 C ATOM 1694 O ALA A 112 -12.230 -16.196 -11.965 1.00 0.00 O ATOM 1695 CB ALA A 112 -12.082 -14.249 -9.989 1.00 0.00 C ATOM 0 H ALA A 112 -13.485 -13.336 -12.150 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.631 -13.490 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -11.394 -14.958 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.100 -13.329 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.083 -14.680 -10.017 1.00 0.00 H new ATOM 1701 N THR A 113 -10.630 -15.222 -13.210 1.00 0.00 N ATOM 1702 CA THR A 113 -10.438 -16.385 -14.069 1.00 0.00 C ATOM 1703 C THR A 113 -9.999 -17.601 -13.258 1.00 0.00 C ATOM 1704 O THR A 113 -10.829 -18.417 -12.858 1.00 0.00 O ATOM 1705 CB THR A 113 -9.416 -16.077 -15.165 1.00 0.00 C ATOM 1706 OG1 THR A 113 -8.695 -14.895 -14.867 1.00 0.00 O ATOM 1707 CG2 THR A 113 -10.052 -15.899 -16.523 1.00 0.00 C ATOM 0 H THR A 113 -10.032 -14.427 -13.436 1.00 0.00 H new ATOM 0 HA THR A 113 -11.394 -16.619 -14.538 1.00 0.00 H new ATOM 0 HB THR A 113 -8.750 -16.939 -15.197 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.046 -14.719 -15.580 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.280 -15.683 -17.261 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.575 -16.814 -16.803 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.761 -15.072 -16.487 1.00 0.00 H new ATOM 1715 N LYS A 114 -8.696 -17.725 -13.014 1.00 0.00 N ATOM 1716 CA LYS A 114 -8.182 -18.851 -12.247 1.00 0.00 C ATOM 1717 C LYS A 114 -7.066 -18.431 -11.299 1.00 0.00 C ATOM 1718 O LYS A 114 -6.974 -18.933 -10.181 1.00 0.00 O ATOM 1719 CB LYS A 114 -7.704 -19.971 -13.177 1.00 0.00 C ATOM 1720 CG LYS A 114 -6.489 -19.607 -14.016 1.00 0.00 C ATOM 1721 CD LYS A 114 -6.890 -19.073 -15.380 1.00 0.00 C ATOM 1722 CE LYS A 114 -5.802 -19.312 -16.414 1.00 0.00 C ATOM 1723 NZ LYS A 114 -6.367 -19.560 -17.769 1.00 0.00 N ATOM 0 H LYS A 114 -7.986 -17.066 -13.333 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.004 -19.229 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.468 -20.850 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.521 -20.249 -13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.895 -18.858 -13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.856 -20.485 -14.140 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.813 -19.555 -15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.096 -18.005 -15.308 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.139 -18.447 -16.450 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.196 -20.166 -16.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.592 -19.718 -18.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.979 -20.400 -17.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.925 -18.735 -18.069 1.00 0.00 H new ATOM 1737 N ALA A 115 -6.228 -17.505 -11.739 1.00 0.00 N ATOM 1738 CA ALA A 115 -5.138 -17.025 -10.904 1.00 0.00 C ATOM 1739 C ALA A 115 -5.632 -15.943 -9.954 1.00 0.00 C ATOM 1740 O ALA A 115 -5.041 -15.709 -8.900 1.00 0.00 O ATOM 1741 CB ALA A 115 -4.000 -16.502 -11.767 1.00 0.00 C ATOM 0 H ALA A 115 -6.281 -17.074 -12.662 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.764 -17.858 -10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.192 -16.146 -11.127 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.630 -17.303 -12.407 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.361 -15.681 -12.386 1.00 0.00 H new ATOM 1747 N GLU A 116 -6.724 -15.287 -10.335 1.00 0.00 N ATOM 1748 CA GLU A 116 -7.305 -14.230 -9.520 1.00 0.00 C ATOM 1749 C GLU A 116 -8.258 -14.796 -8.474 1.00 0.00 C ATOM 1750 O GLU A 116 -8.327 -14.295 -7.352 1.00 0.00 O ATOM 1751 CB GLU A 116 -8.036 -13.219 -10.404 1.00 0.00 C ATOM 1752 CG GLU A 116 -7.114 -12.436 -11.324 1.00 0.00 C ATOM 1753 CD GLU A 116 -7.182 -10.940 -11.084 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -8.304 -10.393 -11.061 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -6.112 -10.316 -10.921 1.00 0.00 O ATOM 0 H GLU A 116 -7.224 -15.471 -11.205 1.00 0.00 H new ATOM 0 HA GLU A 116 -6.491 -13.726 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -8.776 -13.745 -11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.580 -12.520 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.089 -12.777 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.377 -12.646 -12.361 1.00 0.00 H new ATOM 1762 N LEU A 117 -8.997 -15.840 -8.845 1.00 0.00 N ATOM 1763 CA LEU A 117 -9.948 -16.455 -7.923 1.00 0.00 C ATOM 1764 C LEU A 117 -9.239 -17.391 -6.955 1.00 0.00 C ATOM 1765 O LEU A 117 -9.761 -17.693 -5.881 1.00 0.00 O ATOM 1766 CB LEU A 117 -11.091 -17.150 -8.693 1.00 0.00 C ATOM 1767 CG LEU A 117 -10.965 -18.654 -8.967 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -11.948 -19.053 -10.056 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -9.557 -19.028 -9.381 1.00 0.00 C ATOM 0 H LEU A 117 -8.956 -16.273 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.407 -15.670 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -12.015 -16.988 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.203 -16.644 -9.652 1.00 0.00 H new ATOM 0 HG LEU A 117 -11.193 -19.189 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -11.860 -20.122 -10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -12.963 -18.826 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -11.727 -18.497 -10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.505 -20.101 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.290 -18.489 -10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.861 -18.764 -8.585 1.00 0.00 H new ATOM 1781 N ILE A 118 -8.033 -17.820 -7.314 1.00 0.00 N ATOM 1782 CA ILE A 118 -7.264 -18.681 -6.433 1.00 0.00 C ATOM 1783 C ILE A 118 -6.520 -17.831 -5.404 1.00 0.00 C ATOM 1784 O ILE A 118 -6.252 -18.278 -4.288 1.00 0.00 O ATOM 1785 CB ILE A 118 -6.255 -19.575 -7.203 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -5.558 -20.543 -6.235 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -5.228 -18.748 -7.971 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -4.409 -19.931 -5.456 1.00 0.00 C ATOM 0 H ILE A 118 -7.576 -17.588 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.969 -19.347 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.818 -20.151 -7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -6.296 -20.926 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.184 -21.396 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.542 -19.414 -8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.740 -18.113 -8.694 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.667 -18.126 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.974 -20.683 -4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.648 -19.573 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.777 -19.096 -4.860 1.00 0.00 H new ATOM 1800 N ALA A 119 -6.204 -16.592 -5.789 1.00 0.00 N ATOM 1801 CA ALA A 119 -5.510 -15.663 -4.909 1.00 0.00 C ATOM 1802 C ALA A 119 -6.497 -14.895 -4.038 1.00 0.00 C ATOM 1803 O ALA A 119 -6.199 -14.551 -2.895 1.00 0.00 O ATOM 1804 CB ALA A 119 -4.657 -14.701 -5.724 1.00 0.00 C ATOM 0 H ALA A 119 -6.421 -16.212 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.858 -16.238 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.144 -14.012 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.921 -15.264 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -5.294 -14.137 -6.405 1.00 0.00 H new ATOM 1810 N LEU A 120 -7.675 -14.620 -4.597 1.00 0.00 N ATOM 1811 CA LEU A 120 -8.711 -13.879 -3.885 1.00 0.00 C ATOM 1812 C LEU A 120 -8.941 -14.457 -2.496 1.00 0.00 C ATOM 1813 O LEU A 120 -9.115 -13.719 -1.530 1.00 0.00 O ATOM 1814 CB LEU A 120 -10.019 -13.891 -4.678 1.00 0.00 C ATOM 1815 CG LEU A 120 -10.821 -12.590 -4.620 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -10.065 -11.464 -5.307 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -12.191 -12.779 -5.256 1.00 0.00 C ATOM 0 H LEU A 120 -7.934 -14.901 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 120 -8.370 -12.849 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.792 -14.115 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.644 -14.703 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 120 -10.961 -12.320 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.652 -10.547 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.108 -11.311 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.892 -11.726 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.748 -11.843 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -12.071 -13.074 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.737 -13.555 -4.720 1.00 0.00 H new ATOM 1829 N PHE A 121 -8.943 -15.780 -2.399 1.00 0.00 N ATOM 1830 CA PHE A 121 -9.151 -16.438 -1.114 1.00 0.00 C ATOM 1831 C PHE A 121 -8.011 -16.130 -0.144 1.00 0.00 C ATOM 1832 O PHE A 121 -7.119 -16.954 0.058 1.00 0.00 O ATOM 1833 CB PHE A 121 -9.267 -17.948 -1.305 1.00 0.00 C ATOM 1834 CG PHE A 121 -10.656 -18.398 -1.641 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -11.636 -18.458 -0.664 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -10.980 -18.761 -2.935 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -12.914 -18.873 -0.974 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -12.254 -19.178 -3.249 1.00 0.00 C ATOM 1839 CZ PHE A 121 -13.223 -19.233 -2.268 1.00 0.00 C ATOM 0 H PHE A 121 -8.804 -16.414 -3.186 1.00 0.00 H new ATOM 0 HA PHE A 121 -10.079 -16.054 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.589 -18.260 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.941 -18.449 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -11.397 -18.177 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.226 -18.717 -3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -13.671 -18.916 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -12.495 -19.462 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 121 -14.223 -19.558 -2.514 1.00 0.00 H new