USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 69 THR OG1 : rot 180:sc= 0.883 USER MOD Set 1.2: A 72 SER OG : rot 75:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -125:sc= 0 (180deg=-1.02) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.02 (180deg=0.667) USER MOD Single : A 2 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.11) USER MOD Single : A 3 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-2.2!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 16 ASN : amide:sc= -0.0563 X(o=-0.056,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0.825 (180deg=0.765) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.845 K(o=0.85,f=-2.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -164:sc= -0.0605 (180deg=-0.383) USER MOD Single : A 44 ASN : amide:sc= -0.0118 K(o=-0.012,f=-0.67) USER MOD Single : A 47 THR OG1 : rot 81:sc= 0.453 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 65 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD Single : A 66 THR OG1 : rot -77:sc= 0.746 USER MOD Single : A 79 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=-0.024) USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= 0.633 (180deg=0.372) USER MOD Single : A 82 SER OG : rot 88:sc= 0.89 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.031 -8.843 -5.733 1.00 0.00 N ATOM 2 CA MET A 1 -6.672 -8.404 -5.368 1.00 0.00 C ATOM 3 C MET A 1 -5.939 -9.534 -4.653 1.00 0.00 C ATOM 4 O MET A 1 -6.491 -10.172 -3.759 1.00 0.00 O ATOM 5 CB MET A 1 -6.726 -7.128 -4.483 1.00 0.00 C ATOM 6 CG MET A 1 -7.103 -5.866 -5.259 1.00 0.00 C ATOM 7 SD MET A 1 -8.681 -6.041 -6.137 1.00 0.00 S ATOM 8 CE MET A 1 -8.615 -4.705 -7.328 1.00 0.00 C ATOM 0 H1 MET A 1 -8.636 -8.011 -5.885 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.991 -9.406 -6.607 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.426 -9.423 -4.965 1.00 0.00 H new ATOM 0 HA MET A 1 -6.125 -8.154 -6.277 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.448 -7.282 -3.681 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.754 -6.980 -4.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.165 -5.024 -4.570 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.315 -5.634 -5.976 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.498 -4.076 -7.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.720 -4.107 -7.155 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.587 -5.118 -8.336 1.00 0.00 H new ATOM 18 N GLN A 2 -4.704 -9.790 -5.082 1.00 0.00 N ATOM 19 CA GLN A 2 -3.832 -10.811 -4.477 1.00 0.00 C ATOM 20 C GLN A 2 -2.849 -10.172 -3.482 1.00 0.00 C ATOM 21 O GLN A 2 -2.554 -10.743 -2.424 1.00 0.00 O ATOM 22 CB GLN A 2 -3.054 -11.570 -5.579 1.00 0.00 C ATOM 23 CG GLN A 2 -2.270 -10.664 -6.569 1.00 0.00 C ATOM 24 CD GLN A 2 -1.035 -11.337 -7.179 1.00 0.00 C ATOM 25 OE1 GLN A 2 -0.691 -11.104 -8.335 1.00 0.00 O ATOM 26 NE2 GLN A 2 -0.321 -12.109 -6.370 1.00 0.00 N ATOM 0 H GLN A 2 -4.273 -9.295 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.460 -11.517 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.352 -12.254 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.758 -12.179 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.939 -10.356 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.959 -9.758 -6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.639 -12.280 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.546 -12.532 -6.702 1.00 0.00 H new ATOM 35 N HIS A 3 -2.370 -8.963 -3.826 1.00 0.00 N ATOM 36 CA HIS A 3 -1.234 -8.327 -3.153 1.00 0.00 C ATOM 37 C HIS A 3 -1.611 -7.704 -1.803 1.00 0.00 C ATOM 38 O HIS A 3 -0.711 -7.387 -1.032 1.00 0.00 O ATOM 39 CB HIS A 3 -0.575 -7.266 -4.062 1.00 0.00 C ATOM 40 CG HIS A 3 0.083 -7.777 -5.325 1.00 0.00 C ATOM 41 ND1 HIS A 3 1.180 -8.609 -5.316 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.173 -7.533 -6.631 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.562 -8.848 -6.550 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.763 -8.205 -7.361 1.00 0.00 N ATOM 0 H HIS A 3 -2.764 -8.402 -4.581 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.517 -9.122 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.335 -6.538 -4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.175 -6.734 -3.477 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.971 -6.920 -7.023 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.394 -9.470 -6.845 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.829 -8.206 -8.379 1.00 0.00 H new ATOM 53 N LEU A 4 -2.931 -7.538 -1.521 1.00 0.00 N ATOM 54 CA LEU A 4 -3.435 -6.957 -0.231 1.00 0.00 C ATOM 55 C LEU A 4 -2.829 -7.670 1.005 1.00 0.00 C ATOM 56 O LEU A 4 -2.582 -7.041 2.043 1.00 0.00 O ATOM 57 CB LEU A 4 -5.001 -6.996 -0.131 1.00 0.00 C ATOM 58 CG LEU A 4 -5.672 -8.366 0.266 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.176 -8.197 0.585 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.460 -9.448 -0.814 1.00 0.00 C ATOM 0 H LEU A 4 -3.675 -7.798 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.111 -5.916 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.310 -6.247 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.407 -6.690 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.173 -8.704 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.602 -9.164 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.296 -7.503 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.692 -7.805 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.939 -10.375 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.899 -9.114 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.393 -9.620 -0.952 1.00 0.00 H new ATOM 72 N GLU A 5 -2.595 -8.993 0.850 1.00 0.00 N ATOM 73 CA GLU A 5 -2.059 -9.863 1.900 1.00 0.00 C ATOM 74 C GLU A 5 -0.625 -9.441 2.277 1.00 0.00 C ATOM 75 O GLU A 5 -0.310 -9.238 3.456 1.00 0.00 O ATOM 76 CB GLU A 5 -2.104 -11.345 1.419 1.00 0.00 C ATOM 77 CG GLU A 5 -1.503 -12.382 2.402 1.00 0.00 C ATOM 78 CD GLU A 5 -2.224 -12.441 3.763 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.188 -13.212 3.907 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.833 -11.719 4.700 1.00 0.00 O ATOM 0 H GLU A 5 -2.779 -9.485 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.673 -9.768 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.142 -11.614 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.572 -11.418 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.538 -13.369 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.452 -12.144 2.568 1.00 0.00 H new ATOM 87 N ALA A 6 0.218 -9.277 1.252 1.00 0.00 N ATOM 88 CA ALA A 6 1.628 -8.914 1.437 1.00 0.00 C ATOM 89 C ALA A 6 1.781 -7.444 1.844 1.00 0.00 C ATOM 90 O ALA A 6 2.766 -7.093 2.480 1.00 0.00 O ATOM 91 CB ALA A 6 2.432 -9.231 0.178 1.00 0.00 C ATOM 0 H ALA A 6 -0.055 -9.391 0.276 1.00 0.00 H new ATOM 0 HA ALA A 6 2.027 -9.515 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.475 -8.955 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.367 -10.298 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.029 -8.667 -0.663 1.00 0.00 H new ATOM 97 N VAL A 7 0.798 -6.593 1.485 1.00 0.00 N ATOM 98 CA VAL A 7 0.792 -5.172 1.881 1.00 0.00 C ATOM 99 C VAL A 7 0.550 -5.047 3.401 1.00 0.00 C ATOM 100 O VAL A 7 1.298 -4.356 4.094 1.00 0.00 O ATOM 101 CB VAL A 7 -0.292 -4.330 1.102 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.367 -2.889 1.657 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.023 -4.307 -0.422 1.00 0.00 C ATOM 0 H VAL A 7 -0.005 -6.868 0.919 1.00 0.00 H new ATOM 0 HA VAL A 7 1.770 -4.766 1.622 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.253 -4.819 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.120 -2.326 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.637 -2.919 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.603 -2.405 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.793 -3.717 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.954 -3.863 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.040 -5.325 -0.810 1.00 0.00 H new ATOM 113 N ARG A 8 -0.487 -5.755 3.913 1.00 0.00 N ATOM 114 CA ARG A 8 -0.839 -5.725 5.354 1.00 0.00 C ATOM 115 C ARG A 8 0.226 -6.441 6.173 1.00 0.00 C ATOM 116 O ARG A 8 0.394 -6.146 7.355 1.00 0.00 O ATOM 117 CB ARG A 8 -2.241 -6.323 5.642 1.00 0.00 C ATOM 118 CG ARG A 8 -2.426 -7.815 5.306 1.00 0.00 C ATOM 119 CD ARG A 8 -3.855 -8.298 5.606 1.00 0.00 C ATOM 120 NE ARG A 8 -4.111 -9.664 5.127 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.300 -10.287 5.208 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.341 -9.712 5.808 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.446 -11.495 4.708 1.00 0.00 N ATOM 0 H ARG A 8 -1.093 -6.352 3.350 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.878 -4.677 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.464 -6.180 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.979 -5.751 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.201 -7.980 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.714 -8.407 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.028 -8.257 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.568 -7.616 5.142 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.335 -10.173 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.245 -8.782 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.235 -10.201 5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.657 -11.960 4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.348 -11.967 4.770 1.00 0.00 H new ATOM 137 N ASN A 9 0.942 -7.383 5.532 1.00 0.00 N ATOM 138 CA ASN A 9 2.096 -8.056 6.134 1.00 0.00 C ATOM 139 C ASN A 9 3.229 -7.030 6.374 1.00 0.00 C ATOM 140 O ASN A 9 3.791 -6.960 7.469 1.00 0.00 O ATOM 141 CB ASN A 9 2.581 -9.209 5.219 1.00 0.00 C ATOM 142 CG ASN A 9 3.744 -10.036 5.781 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.863 -10.254 6.990 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.622 -10.496 4.902 1.00 0.00 N ATOM 0 H ASN A 9 0.733 -7.695 4.584 1.00 0.00 H new ATOM 0 HA ASN A 9 1.804 -8.485 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.741 -9.876 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.884 -8.789 4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.421 -11.045 5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.499 -10.301 3.908 1.00 0.00 H new ATOM 151 N ILE A 10 3.512 -6.214 5.333 1.00 0.00 N ATOM 152 CA ILE A 10 4.544 -5.158 5.375 1.00 0.00 C ATOM 153 C ILE A 10 4.229 -4.108 6.451 1.00 0.00 C ATOM 154 O ILE A 10 5.035 -3.889 7.351 1.00 0.00 O ATOM 155 CB ILE A 10 4.719 -4.460 3.969 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.360 -5.438 2.938 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.549 -3.154 4.072 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.460 -4.887 1.529 1.00 0.00 C ATOM 0 H ILE A 10 3.028 -6.272 4.437 1.00 0.00 H new ATOM 0 HA ILE A 10 5.484 -5.645 5.634 1.00 0.00 H new ATOM 0 HB ILE A 10 3.723 -4.189 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.359 -5.705 3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.774 -6.357 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.646 -2.705 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.046 -2.455 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.540 -3.382 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.917 -5.632 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.463 -4.647 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.072 -3.985 1.534 1.00 0.00 H new ATOM 170 N LEU A 11 3.050 -3.470 6.358 1.00 0.00 N ATOM 171 CA LEU A 11 2.635 -2.421 7.311 1.00 0.00 C ATOM 172 C LEU A 11 2.426 -3.017 8.715 1.00 0.00 C ATOM 173 O LEU A 11 2.637 -2.337 9.720 1.00 0.00 O ATOM 174 CB LEU A 11 1.368 -1.660 6.807 1.00 0.00 C ATOM 175 CG LEU A 11 1.616 -0.569 5.700 1.00 0.00 C ATOM 176 CD1 LEU A 11 2.058 -1.181 4.355 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.383 0.340 5.512 1.00 0.00 C ATOM 0 H LEU A 11 2.363 -3.662 5.629 1.00 0.00 H new ATOM 0 HA LEU A 11 3.437 -1.686 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.660 -2.391 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.892 -1.180 7.662 1.00 0.00 H new ATOM 0 HG LEU A 11 2.441 0.048 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.215 -0.385 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.987 -1.734 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.284 -1.857 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.591 1.081 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.473 -0.265 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.158 0.847 6.450 1.00 0.00 H new ATOM 189 N GLY A 12 2.036 -4.300 8.767 1.00 0.00 N ATOM 190 CA GLY A 12 1.952 -5.039 10.018 1.00 0.00 C ATOM 191 C GLY A 12 3.308 -5.269 10.664 1.00 0.00 C ATOM 192 O GLY A 12 3.393 -5.388 11.881 1.00 0.00 O ATOM 0 H GLY A 12 1.774 -4.843 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.312 -4.495 10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.476 -6.002 9.834 1.00 0.00 H new ATOM 196 N ASP A 13 4.361 -5.350 9.836 1.00 0.00 N ATOM 197 CA ASP A 13 5.754 -5.485 10.303 1.00 0.00 C ATOM 198 C ASP A 13 6.290 -4.132 10.802 1.00 0.00 C ATOM 199 O ASP A 13 6.831 -4.045 11.908 1.00 0.00 O ATOM 200 CB ASP A 13 6.646 -6.028 9.153 1.00 0.00 C ATOM 201 CG ASP A 13 8.119 -6.250 9.561 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.399 -7.228 10.287 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.996 -5.441 9.176 1.00 0.00 O ATOM 0 H ASP A 13 4.272 -5.324 8.820 1.00 0.00 H new ATOM 0 HA ASP A 13 5.778 -6.190 11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.231 -6.971 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.611 -5.329 8.317 1.00 0.00 H new ATOM 208 N VAL A 14 6.091 -3.083 9.982 1.00 0.00 N ATOM 209 CA VAL A 14 6.640 -1.737 10.233 1.00 0.00 C ATOM 210 C VAL A 14 5.990 -1.121 11.479 1.00 0.00 C ATOM 211 O VAL A 14 6.682 -0.788 12.443 1.00 0.00 O ATOM 212 CB VAL A 14 6.441 -0.776 8.993 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.043 0.631 9.255 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.032 -1.391 7.702 1.00 0.00 C ATOM 0 H VAL A 14 5.543 -3.145 9.124 1.00 0.00 H new ATOM 0 HA VAL A 14 7.711 -1.849 10.398 1.00 0.00 H new ATOM 0 HB VAL A 14 5.367 -0.657 8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.886 1.262 8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.554 1.081 10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.112 0.539 9.450 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.878 -0.705 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.100 -1.564 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.535 -2.337 7.489 1.00 0.00 H new ATOM 224 N LEU A 15 4.649 -1.026 11.463 1.00 0.00 N ATOM 225 CA LEU A 15 3.872 -0.424 12.568 1.00 0.00 C ATOM 226 C LEU A 15 3.599 -1.461 13.682 1.00 0.00 C ATOM 227 O LEU A 15 2.973 -1.121 14.695 1.00 0.00 O ATOM 228 CB LEU A 15 2.536 0.191 12.055 1.00 0.00 C ATOM 229 CG LEU A 15 2.628 1.386 11.043 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.756 2.366 11.417 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.750 0.904 9.580 1.00 0.00 C ATOM 0 H LEU A 15 4.074 -1.361 10.690 1.00 0.00 H new ATOM 0 HA LEU A 15 4.473 0.382 12.988 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.959 -0.605 11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.967 0.528 12.921 1.00 0.00 H new ATOM 0 HG LEU A 15 1.688 1.933 11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.787 3.179 10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.570 2.773 12.411 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.711 1.840 11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.811 1.767 8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.649 0.298 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.876 0.307 9.320 1.00 0.00 H new ATOM 243 N ASN A 16 4.049 -2.722 13.462 1.00 0.00 N ATOM 244 CA ASN A 16 4.074 -3.786 14.471 1.00 0.00 C ATOM 245 C ASN A 16 2.648 -4.110 14.993 1.00 0.00 C ATOM 246 O ASN A 16 2.388 -4.145 16.204 1.00 0.00 O ATOM 247 CB ASN A 16 5.080 -3.369 15.575 1.00 0.00 C ATOM 248 CG ASN A 16 5.340 -4.419 16.654 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.380 -5.621 16.409 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.503 -3.943 17.859 1.00 0.00 N ATOM 0 H ASN A 16 4.410 -3.023 12.557 1.00 0.00 H new ATOM 0 HA ASN A 16 4.417 -4.727 14.040 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.029 -3.116 15.102 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.712 -2.462 16.055 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.671 -4.578 18.640 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.462 -2.937 18.020 1.00 0.00 H new ATOM 257 N LEU A 17 1.719 -4.343 14.038 1.00 0.00 N ATOM 258 CA LEU A 17 0.309 -4.671 14.344 1.00 0.00 C ATOM 259 C LEU A 17 0.157 -6.107 14.901 1.00 0.00 C ATOM 260 O LEU A 17 -0.727 -6.353 15.729 1.00 0.00 O ATOM 261 CB LEU A 17 -0.624 -4.490 13.102 1.00 0.00 C ATOM 262 CG LEU A 17 -0.984 -3.021 12.666 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.338 -2.132 13.877 1.00 0.00 C ATOM 264 CD2 LEU A 17 0.115 -2.381 11.808 1.00 0.00 C ATOM 0 H LEU A 17 1.924 -4.309 13.039 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.001 -3.963 15.113 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.153 -4.986 12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.556 -5.018 13.303 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.874 -3.096 12.041 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.580 -1.127 13.532 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.197 -2.553 14.399 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.487 -2.087 14.557 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.181 -1.369 11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.045 -2.346 12.375 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.263 -2.973 10.905 1.00 0.00 H new ATOM 276 N GLY A 18 1.001 -7.039 14.415 1.00 0.00 N ATOM 277 CA GLY A 18 0.959 -8.441 14.845 1.00 0.00 C ATOM 278 C GLY A 18 -0.300 -9.168 14.371 1.00 0.00 C ATOM 279 O GLY A 18 -0.324 -9.719 13.265 1.00 0.00 O ATOM 0 H GLY A 18 1.722 -6.839 13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.838 -8.960 14.463 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.010 -8.484 15.933 1.00 0.00 H new ATOM 283 N GLU A 19 -1.357 -9.139 15.200 1.00 0.00 N ATOM 284 CA GLU A 19 -2.665 -9.760 14.884 1.00 0.00 C ATOM 285 C GLU A 19 -3.622 -8.738 14.257 1.00 0.00 C ATOM 286 O GLU A 19 -4.561 -9.116 13.549 1.00 0.00 O ATOM 287 CB GLU A 19 -3.306 -10.366 16.160 1.00 0.00 C ATOM 288 CG GLU A 19 -3.600 -9.344 17.280 1.00 0.00 C ATOM 289 CD GLU A 19 -4.361 -9.947 18.470 1.00 0.00 C ATOM 290 OE1 GLU A 19 -3.810 -10.831 19.153 1.00 0.00 O ATOM 291 OE2 GLU A 19 -5.513 -9.538 18.736 1.00 0.00 O ATOM 0 H GLU A 19 -1.333 -8.684 16.113 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.487 -10.558 14.163 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.238 -10.860 15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.642 -11.136 16.554 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.659 -8.924 17.635 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.181 -8.520 16.866 1.00 0.00 H new ATOM 298 N ARG A 20 -3.374 -7.438 14.522 1.00 0.00 N ATOM 299 CA ARG A 20 -4.244 -6.349 14.045 1.00 0.00 C ATOM 300 C ARG A 20 -4.142 -6.229 12.504 1.00 0.00 C ATOM 301 O ARG A 20 -5.113 -5.865 11.847 1.00 0.00 O ATOM 302 CB ARG A 20 -3.915 -5.010 14.792 1.00 0.00 C ATOM 303 CG ARG A 20 -5.092 -3.991 14.893 1.00 0.00 C ATOM 304 CD ARG A 20 -5.328 -3.149 13.617 1.00 0.00 C ATOM 305 NE ARG A 20 -6.676 -2.539 13.624 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.973 -1.253 13.865 1.00 0.00 C ATOM 307 NH1 ARG A 20 -6.031 -0.363 14.138 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.241 -0.868 13.852 1.00 0.00 N ATOM 0 H ARG A 20 -2.573 -7.119 15.067 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.283 -6.580 14.279 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.578 -5.250 15.800 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.081 -4.526 14.284 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.007 -4.535 15.127 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.900 -3.316 15.727 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.572 -2.367 13.548 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.215 -3.780 12.735 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.460 -3.160 13.425 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.052 -0.649 14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.284 0.609 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.978 -1.547 13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.480 0.107 14.034 1.00 0.00 H new ATOM 322 N LYS A 21 -2.973 -6.599 11.933 1.00 0.00 N ATOM 323 CA LYS A 21 -2.791 -6.663 10.465 1.00 0.00 C ATOM 324 C LYS A 21 -3.598 -7.832 9.857 1.00 0.00 C ATOM 325 O LYS A 21 -4.045 -7.750 8.717 1.00 0.00 O ATOM 326 CB LYS A 21 -1.301 -6.778 10.072 1.00 0.00 C ATOM 327 CG LYS A 21 -0.593 -8.049 10.593 1.00 0.00 C ATOM 328 CD LYS A 21 0.556 -8.519 9.671 1.00 0.00 C ATOM 329 CE LYS A 21 0.938 -9.981 9.906 1.00 0.00 C ATOM 330 NZ LYS A 21 1.670 -10.193 11.175 1.00 0.00 N ATOM 0 H LYS A 21 -2.143 -6.857 12.466 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.170 -5.726 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.223 -6.755 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.771 -5.903 10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.196 -7.855 11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.324 -8.851 10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.259 -8.388 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.430 -7.888 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.034 -10.591 9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.554 -10.327 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.048 -11.162 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.454 -9.513 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.023 -10.053 11.977 1.00 0.00 H new ATOM 344 N HIS A 22 -3.788 -8.906 10.645 1.00 0.00 N ATOM 345 CA HIS A 22 -4.512 -10.119 10.201 1.00 0.00 C ATOM 346 C HIS A 22 -6.034 -9.868 10.172 1.00 0.00 C ATOM 347 O HIS A 22 -6.737 -10.367 9.283 1.00 0.00 O ATOM 348 CB HIS A 22 -4.161 -11.298 11.145 1.00 0.00 C ATOM 349 CG HIS A 22 -4.802 -12.631 10.814 1.00 0.00 C ATOM 350 ND1 HIS A 22 -5.406 -13.433 11.760 1.00 0.00 N ATOM 351 CD2 HIS A 22 -4.901 -13.316 9.643 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.830 -14.541 11.196 1.00 0.00 C ATOM 353 NE2 HIS A 22 -5.540 -14.494 9.916 1.00 0.00 N ATOM 0 H HIS A 22 -3.447 -8.961 11.605 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.203 -10.371 9.187 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.079 -11.428 11.144 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.448 -11.022 12.160 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.542 -12.990 8.678 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.332 -15.354 11.700 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.757 -15.221 9.234 1.00 0.00 H new ATOM 362 N THR A 23 -6.519 -9.066 11.133 1.00 0.00 N ATOM 363 CA THR A 23 -7.966 -8.817 11.319 1.00 0.00 C ATOM 364 C THR A 23 -8.480 -7.706 10.375 1.00 0.00 C ATOM 365 O THR A 23 -9.687 -7.639 10.097 1.00 0.00 O ATOM 366 CB THR A 23 -8.310 -8.468 12.814 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.733 -8.507 13.024 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.782 -7.091 13.240 1.00 0.00 C ATOM 0 H THR A 23 -5.927 -8.573 11.801 1.00 0.00 H new ATOM 0 HA THR A 23 -8.478 -9.744 11.062 1.00 0.00 H new ATOM 0 HB THR A 23 -7.814 -9.221 13.426 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.932 -8.289 13.959 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.049 -6.905 14.280 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.697 -7.069 13.134 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.224 -6.320 12.608 1.00 0.00 H new ATOM 376 N LEU A 24 -7.573 -6.830 9.893 1.00 0.00 N ATOM 377 CA LEU A 24 -7.939 -5.784 8.920 1.00 0.00 C ATOM 378 C LEU A 24 -7.950 -6.384 7.503 1.00 0.00 C ATOM 379 O LEU A 24 -7.149 -7.270 7.174 1.00 0.00 O ATOM 380 CB LEU A 24 -7.047 -4.498 9.058 1.00 0.00 C ATOM 381 CG LEU A 24 -5.493 -4.610 8.843 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.098 -4.686 7.353 1.00 0.00 C ATOM 383 CD2 LEU A 24 -4.747 -3.445 9.545 1.00 0.00 C ATOM 0 H LEU A 24 -6.589 -6.827 10.161 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.948 -5.434 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.423 -3.761 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.211 -4.092 10.056 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.187 -5.551 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.014 -4.762 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.560 -5.562 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.440 -3.788 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.674 -3.548 9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.088 -2.495 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.954 -3.473 10.615 1.00 0.00 H new ATOM 395 N THR A 25 -8.895 -5.909 6.694 1.00 0.00 N ATOM 396 CA THR A 25 -9.168 -6.410 5.338 1.00 0.00 C ATOM 397 C THR A 25 -8.957 -5.288 4.303 1.00 0.00 C ATOM 398 O THR A 25 -8.531 -4.183 4.665 1.00 0.00 O ATOM 399 CB THR A 25 -10.640 -6.933 5.261 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.536 -5.874 5.633 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.889 -8.153 6.172 1.00 0.00 C ATOM 0 H THR A 25 -9.512 -5.144 6.966 1.00 0.00 H new ATOM 0 HA THR A 25 -8.481 -7.226 5.115 1.00 0.00 H new ATOM 0 HB THR A 25 -10.818 -7.254 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.460 -6.196 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.927 -8.472 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.230 -8.969 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.686 -7.881 7.208 1.00 0.00 H new ATOM 409 N ALA A 26 -9.283 -5.571 3.022 1.00 0.00 N ATOM 410 CA ALA A 26 -9.162 -4.589 1.922 1.00 0.00 C ATOM 411 C ALA A 26 -10.078 -3.369 2.159 1.00 0.00 C ATOM 412 O ALA A 26 -9.698 -2.224 1.905 1.00 0.00 O ATOM 413 CB ALA A 26 -9.486 -5.256 0.574 1.00 0.00 C ATOM 0 H ALA A 26 -9.635 -6.480 2.723 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.132 -4.232 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.393 -4.522 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.790 -6.076 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.505 -5.643 0.595 1.00 0.00 H new ATOM 419 N SER A 27 -11.276 -3.644 2.690 1.00 0.00 N ATOM 420 CA SER A 27 -12.295 -2.619 2.972 1.00 0.00 C ATOM 421 C SER A 27 -12.069 -1.944 4.349 1.00 0.00 C ATOM 422 O SER A 27 -12.876 -1.104 4.760 1.00 0.00 O ATOM 423 CB SER A 27 -13.699 -3.250 2.886 1.00 0.00 C ATOM 424 OG SER A 27 -13.898 -3.869 1.623 1.00 0.00 O ATOM 0 H SER A 27 -11.570 -4.589 2.938 1.00 0.00 H new ATOM 0 HA SER A 27 -12.210 -1.834 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.821 -3.987 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.457 -2.483 3.044 1.00 0.00 H new ATOM 0 HG SER A 27 -14.794 -4.264 1.590 1.00 0.00 H new ATOM 430 N SER A 28 -10.969 -2.307 5.045 1.00 0.00 N ATOM 431 CA SER A 28 -10.577 -1.699 6.333 1.00 0.00 C ATOM 432 C SER A 28 -9.557 -0.569 6.098 1.00 0.00 C ATOM 433 O SER A 28 -8.768 -0.607 5.139 1.00 0.00 O ATOM 434 CB SER A 28 -9.999 -2.773 7.292 1.00 0.00 C ATOM 435 OG SER A 28 -9.660 -2.241 8.567 1.00 0.00 O ATOM 0 H SER A 28 -10.327 -3.033 4.727 1.00 0.00 H new ATOM 0 HA SER A 28 -11.464 -1.272 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.729 -3.573 7.418 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.113 -3.219 6.841 1.00 0.00 H new ATOM 0 HG SER A 28 -9.302 -2.955 9.135 1.00 0.00 H new ATOM 441 N VAL A 29 -9.577 0.411 7.014 1.00 0.00 N ATOM 442 CA VAL A 29 -8.798 1.657 6.939 1.00 0.00 C ATOM 443 C VAL A 29 -7.398 1.448 7.556 1.00 0.00 C ATOM 444 O VAL A 29 -7.231 0.627 8.467 1.00 0.00 O ATOM 445 CB VAL A 29 -9.581 2.808 7.693 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.826 4.161 7.677 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.011 2.967 7.113 1.00 0.00 C ATOM 0 H VAL A 29 -10.154 0.357 7.854 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.666 1.944 5.896 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.654 2.506 8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.412 4.911 8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.858 4.043 8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.676 4.482 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.533 3.763 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.948 3.218 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.558 2.032 7.232 1.00 0.00 H new ATOM 457 N LEU A 30 -6.391 2.174 7.034 1.00 0.00 N ATOM 458 CA LEU A 30 -5.019 2.160 7.574 1.00 0.00 C ATOM 459 C LEU A 30 -4.670 3.542 8.136 1.00 0.00 C ATOM 460 O LEU A 30 -4.506 3.703 9.345 1.00 0.00 O ATOM 461 CB LEU A 30 -4.000 1.735 6.486 1.00 0.00 C ATOM 462 CG LEU A 30 -4.282 0.373 5.783 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.219 0.089 4.716 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.390 -0.797 6.794 1.00 0.00 C ATOM 0 H LEU A 30 -6.506 2.786 6.226 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.967 1.428 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.965 2.514 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.010 1.689 6.941 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.252 0.453 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.432 -0.866 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.233 0.882 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.235 0.048 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.587 -1.725 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.454 -0.889 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.205 -0.601 7.491 1.00 0.00 H new ATOM 476 N LEU A 31 -4.538 4.534 7.239 1.00 0.00 N ATOM 477 CA LEU A 31 -4.280 5.936 7.609 1.00 0.00 C ATOM 478 C LEU A 31 -5.459 6.464 8.464 1.00 0.00 C ATOM 479 O LEU A 31 -6.584 6.579 7.972 1.00 0.00 O ATOM 480 CB LEU A 31 -4.051 6.788 6.308 1.00 0.00 C ATOM 481 CG LEU A 31 -3.244 8.128 6.451 1.00 0.00 C ATOM 482 CD1 LEU A 31 -2.796 8.661 5.073 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.027 9.218 7.222 1.00 0.00 C ATOM 0 H LEU A 31 -4.608 4.385 6.232 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.375 6.015 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.535 6.160 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.027 7.027 5.886 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.359 7.890 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.240 9.589 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.159 7.922 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.673 8.848 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.421 10.122 7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.954 9.442 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.258 8.859 8.225 1.00 0.00 H new ATOM 495 N GLY A 32 -5.178 6.736 9.749 1.00 0.00 N ATOM 496 CA GLY A 32 -6.183 7.190 10.714 1.00 0.00 C ATOM 497 C GLY A 32 -6.583 6.091 11.693 1.00 0.00 C ATOM 498 O GLY A 32 -6.759 6.348 12.894 1.00 0.00 O ATOM 0 H GLY A 32 -4.243 6.646 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.792 8.043 11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.067 7.536 10.179 1.00 0.00 H new ATOM 502 N ASN A 33 -6.724 4.857 11.169 1.00 0.00 N ATOM 503 CA ASN A 33 -7.217 3.693 11.944 1.00 0.00 C ATOM 504 C ASN A 33 -6.076 3.049 12.749 1.00 0.00 C ATOM 505 O ASN A 33 -6.281 2.558 13.867 1.00 0.00 O ATOM 506 CB ASN A 33 -7.878 2.668 10.990 1.00 0.00 C ATOM 507 CG ASN A 33 -8.612 1.519 11.693 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.145 1.678 12.795 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.659 0.358 11.057 1.00 0.00 N ATOM 0 H ASN A 33 -6.501 4.636 10.199 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.967 4.036 12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.585 3.193 10.347 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.109 2.247 10.342 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.145 -0.434 11.477 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.209 0.256 10.147 1.00 0.00 H new ATOM 516 N ILE A 34 -4.873 3.069 12.167 1.00 0.00 N ATOM 517 CA ILE A 34 -3.646 2.631 12.834 1.00 0.00 C ATOM 518 C ILE A 34 -3.062 3.843 13.587 1.00 0.00 C ATOM 519 O ILE A 34 -2.705 4.843 12.946 1.00 0.00 O ATOM 520 CB ILE A 34 -2.571 2.072 11.820 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.192 1.004 10.858 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.345 1.499 12.576 1.00 0.00 C ATOM 523 CD1 ILE A 34 -3.802 -0.216 11.539 1.00 0.00 C ATOM 0 H ILE A 34 -4.724 3.393 11.211 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.892 1.815 13.513 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.230 2.905 11.205 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.963 1.486 10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.417 0.665 10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.619 1.120 11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.886 2.286 13.175 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.667 0.687 13.229 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.203 -0.892 10.784 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.035 -0.732 12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.605 0.102 12.204 1.00 0.00 H new ATOM 535 N PRO A 35 -2.961 3.788 14.951 1.00 0.00 N ATOM 536 CA PRO A 35 -2.441 4.915 15.762 1.00 0.00 C ATOM 537 C PRO A 35 -0.898 4.993 15.748 1.00 0.00 C ATOM 538 O PRO A 35 -0.310 5.889 16.365 1.00 0.00 O ATOM 539 CB PRO A 35 -3.009 4.612 17.170 1.00 0.00 C ATOM 540 CG PRO A 35 -3.070 3.113 17.236 1.00 0.00 C ATOM 541 CD PRO A 35 -3.336 2.632 15.814 1.00 0.00 C ATOM 0 HA PRO A 35 -2.744 5.890 15.381 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.368 5.018 17.952 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.996 5.056 17.304 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.135 2.702 17.617 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.860 2.785 17.911 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.741 1.750 15.576 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.382 2.358 15.677 1.00 0.00 H new ATOM 549 N GLU A 36 -0.256 4.059 15.019 1.00 0.00 N ATOM 550 CA GLU A 36 1.207 3.994 14.873 1.00 0.00 C ATOM 551 C GLU A 36 1.640 4.721 13.583 1.00 0.00 C ATOM 552 O GLU A 36 2.808 5.080 13.431 1.00 0.00 O ATOM 553 CB GLU A 36 1.674 2.507 14.817 1.00 0.00 C ATOM 554 CG GLU A 36 1.005 1.556 15.837 1.00 0.00 C ATOM 555 CD GLU A 36 1.209 1.955 17.310 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.333 1.801 17.827 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.244 2.410 17.962 1.00 0.00 O ATOM 0 H GLU A 36 -0.746 3.322 14.511 1.00 0.00 H new ATOM 0 HA GLU A 36 1.667 4.481 15.733 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.487 2.124 13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.752 2.478 14.973 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.064 1.515 15.629 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.397 0.550 15.688 1.00 0.00 H new ATOM 564 N LEU A 37 0.671 4.933 12.663 1.00 0.00 N ATOM 565 CA LEU A 37 0.933 5.468 11.316 1.00 0.00 C ATOM 566 C LEU A 37 1.055 7.009 11.402 1.00 0.00 C ATOM 567 O LEU A 37 0.052 7.721 11.397 1.00 0.00 O ATOM 568 CB LEU A 37 -0.203 4.990 10.335 1.00 0.00 C ATOM 569 CG LEU A 37 0.025 5.124 8.773 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.118 6.577 8.263 1.00 0.00 C ATOM 571 CD2 LEU A 37 1.384 4.511 8.351 1.00 0.00 C ATOM 0 H LEU A 37 -0.314 4.736 12.839 1.00 0.00 H new ATOM 0 HA LEU A 37 1.875 5.091 10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.403 3.940 10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.108 5.544 10.584 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.771 4.553 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.049 6.603 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.121 6.943 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.617 7.211 8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.513 4.618 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.193 5.030 8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.404 3.454 8.616 1.00 0.00 H new ATOM 583 N ASP A 38 2.292 7.500 11.571 1.00 0.00 N ATOM 584 CA ASP A 38 2.618 8.947 11.599 1.00 0.00 C ATOM 585 C ASP A 38 3.346 9.380 10.299 1.00 0.00 C ATOM 586 O ASP A 38 3.338 8.658 9.302 1.00 0.00 O ATOM 587 CB ASP A 38 3.503 9.242 12.851 1.00 0.00 C ATOM 588 CG ASP A 38 4.842 8.475 12.842 1.00 0.00 C ATOM 589 OD1 ASP A 38 5.830 8.968 12.252 1.00 0.00 O ATOM 590 OD2 ASP A 38 4.903 7.372 13.418 1.00 0.00 O ATOM 0 H ASP A 38 3.109 6.902 11.694 1.00 0.00 H new ATOM 0 HA ASP A 38 1.694 9.521 11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.705 10.312 12.902 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.947 8.979 13.751 1.00 0.00 H new ATOM 595 N SER A 39 3.963 10.581 10.362 1.00 0.00 N ATOM 596 CA SER A 39 4.792 11.198 9.300 1.00 0.00 C ATOM 597 C SER A 39 5.874 10.234 8.739 1.00 0.00 C ATOM 598 O SER A 39 5.759 9.720 7.606 1.00 0.00 O ATOM 599 CB SER A 39 5.443 12.476 9.915 1.00 0.00 C ATOM 600 OG SER A 39 6.246 13.182 8.970 1.00 0.00 O ATOM 0 H SER A 39 3.894 11.173 11.190 1.00 0.00 H new ATOM 0 HA SER A 39 4.161 11.446 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.660 13.136 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.056 12.193 10.770 1.00 0.00 H new ATOM 0 HG SER A 39 6.632 13.975 9.397 1.00 0.00 H new ATOM 605 N MET A 40 6.887 9.918 9.562 1.00 0.00 N ATOM 606 CA MET A 40 8.020 9.079 9.133 1.00 0.00 C ATOM 607 C MET A 40 7.577 7.624 8.893 1.00 0.00 C ATOM 608 O MET A 40 8.265 6.867 8.194 1.00 0.00 O ATOM 609 CB MET A 40 9.161 9.144 10.167 1.00 0.00 C ATOM 610 CG MET A 40 9.747 10.549 10.363 1.00 0.00 C ATOM 611 SD MET A 40 10.462 11.224 8.851 1.00 0.00 S ATOM 612 CE MET A 40 11.807 10.074 8.535 1.00 0.00 C ATOM 0 H MET A 40 6.945 10.231 10.531 1.00 0.00 H new ATOM 0 HA MET A 40 8.391 9.471 8.186 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.790 8.779 11.125 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.958 8.469 9.856 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.964 11.218 10.720 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.513 10.514 11.138 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.499 10.512 7.816 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.334 9.866 9.466 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.404 9.145 8.131 1.00 0.00 H new ATOM 622 N ALA A 41 6.416 7.262 9.467 1.00 0.00 N ATOM 623 CA ALA A 41 5.782 5.959 9.247 1.00 0.00 C ATOM 624 C ALA A 41 5.323 5.795 7.795 1.00 0.00 C ATOM 625 O ALA A 41 5.548 4.731 7.221 1.00 0.00 O ATOM 626 CB ALA A 41 4.619 5.754 10.208 1.00 0.00 C ATOM 0 H ALA A 41 5.893 7.870 10.098 1.00 0.00 H new ATOM 0 HA ALA A 41 6.530 5.191 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.164 4.780 10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.983 5.798 11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.876 6.536 10.052 1.00 0.00 H new ATOM 632 N VAL A 42 4.699 6.858 7.199 1.00 0.00 N ATOM 633 CA VAL A 42 4.268 6.814 5.775 1.00 0.00 C ATOM 634 C VAL A 42 5.495 6.618 4.877 1.00 0.00 C ATOM 635 O VAL A 42 5.450 5.862 3.913 1.00 0.00 O ATOM 636 CB VAL A 42 3.442 8.083 5.270 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.307 8.449 6.246 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.326 9.327 4.944 1.00 0.00 C ATOM 0 H VAL A 42 4.489 7.735 7.675 1.00 0.00 H new ATOM 0 HA VAL A 42 3.577 5.973 5.709 1.00 0.00 H new ATOM 0 HB VAL A 42 2.998 7.777 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.768 9.318 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.620 7.607 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.729 8.681 7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.691 10.147 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.869 9.632 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.037 9.072 4.158 1.00 0.00 H new ATOM 648 N VAL A 43 6.603 7.274 5.258 1.00 0.00 N ATOM 649 CA VAL A 43 7.852 7.242 4.459 1.00 0.00 C ATOM 650 C VAL A 43 8.459 5.827 4.442 1.00 0.00 C ATOM 651 O VAL A 43 8.813 5.280 3.376 1.00 0.00 O ATOM 652 CB VAL A 43 8.892 8.271 5.027 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.071 8.522 4.057 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.177 9.577 5.390 1.00 0.00 C ATOM 0 H VAL A 43 6.666 7.832 6.109 1.00 0.00 H new ATOM 0 HA VAL A 43 7.605 7.520 3.435 1.00 0.00 H new ATOM 0 HB VAL A 43 9.332 7.842 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.760 9.241 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.595 7.585 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.690 8.917 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.901 10.290 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.705 9.993 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.416 9.378 6.144 1.00 0.00 H new ATOM 664 N ASN A 44 8.528 5.248 5.650 1.00 0.00 N ATOM 665 CA ASN A 44 9.074 3.903 5.902 1.00 0.00 C ATOM 666 C ASN A 44 8.290 2.807 5.172 1.00 0.00 C ATOM 667 O ASN A 44 8.896 1.874 4.642 1.00 0.00 O ATOM 668 CB ASN A 44 9.092 3.633 7.441 1.00 0.00 C ATOM 669 CG ASN A 44 10.283 4.276 8.167 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.385 4.350 7.627 1.00 0.00 O ATOM 671 ND2 ASN A 44 10.073 4.765 9.381 1.00 0.00 N ATOM 0 H ASN A 44 8.199 5.710 6.498 1.00 0.00 H new ATOM 0 HA ASN A 44 10.090 3.874 5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.166 4.008 7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.112 2.557 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.835 5.215 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.150 4.691 9.808 1.00 0.00 H new ATOM 678 N VAL A 45 6.949 2.925 5.148 1.00 0.00 N ATOM 679 CA VAL A 45 6.080 1.904 4.533 1.00 0.00 C ATOM 680 C VAL A 45 6.070 2.000 2.999 1.00 0.00 C ATOM 681 O VAL A 45 5.933 0.968 2.345 1.00 0.00 O ATOM 682 CB VAL A 45 4.621 1.918 5.101 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.615 1.520 6.589 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.932 3.273 4.893 1.00 0.00 C ATOM 0 H VAL A 45 6.444 3.716 5.547 1.00 0.00 H new ATOM 0 HA VAL A 45 6.519 0.945 4.807 1.00 0.00 H new ATOM 0 HB VAL A 45 4.047 1.180 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.592 1.536 6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.027 0.517 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.222 2.226 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.923 3.235 5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.501 4.052 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.883 3.496 3.827 1.00 0.00 H new ATOM 694 N ILE A 46 6.234 3.224 2.425 1.00 0.00 N ATOM 695 CA ILE A 46 6.392 3.377 0.953 1.00 0.00 C ATOM 696 C ILE A 46 7.659 2.633 0.532 1.00 0.00 C ATOM 697 O ILE A 46 7.600 1.729 -0.296 1.00 0.00 O ATOM 698 CB ILE A 46 6.491 4.880 0.474 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.221 5.672 0.880 1.00 0.00 C ATOM 700 CG2 ILE A 46 6.713 4.975 -1.069 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.318 7.171 0.687 1.00 0.00 C ATOM 0 H ILE A 46 6.260 4.100 2.946 1.00 0.00 H new ATOM 0 HA ILE A 46 5.497 2.965 0.485 1.00 0.00 H new ATOM 0 HB ILE A 46 7.355 5.323 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.377 5.299 0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.003 5.468 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.776 6.023 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.640 4.466 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.878 4.502 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.384 7.639 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.138 7.563 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.502 7.391 -0.364 1.00 0.00 H new ATOM 713 N THR A 47 8.773 2.991 1.203 1.00 0.00 N ATOM 714 CA THR A 47 10.107 2.426 0.936 1.00 0.00 C ATOM 715 C THR A 47 10.115 0.893 1.118 1.00 0.00 C ATOM 716 O THR A 47 10.728 0.171 0.333 1.00 0.00 O ATOM 717 CB THR A 47 11.171 3.095 1.860 1.00 0.00 C ATOM 718 OG1 THR A 47 11.138 4.519 1.654 1.00 0.00 O ATOM 719 CG2 THR A 47 12.606 2.568 1.608 1.00 0.00 C ATOM 0 H THR A 47 8.770 3.685 1.950 1.00 0.00 H new ATOM 0 HA THR A 47 10.361 2.636 -0.103 1.00 0.00 H new ATOM 0 HB THR A 47 10.917 2.842 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.403 4.908 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.301 3.071 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.636 1.494 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.891 2.768 0.575 1.00 0.00 H new ATOM 727 N ALA A 48 9.397 0.423 2.155 1.00 0.00 N ATOM 728 CA ALA A 48 9.225 -1.011 2.444 1.00 0.00 C ATOM 729 C ALA A 48 8.539 -1.742 1.263 1.00 0.00 C ATOM 730 O ALA A 48 9.034 -2.780 0.817 1.00 0.00 O ATOM 731 CB ALA A 48 8.446 -1.205 3.756 1.00 0.00 C ATOM 0 H ALA A 48 8.918 1.031 2.819 1.00 0.00 H new ATOM 0 HA ALA A 48 10.212 -1.456 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.328 -2.270 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.994 -0.741 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.464 -0.741 3.668 1.00 0.00 H new ATOM 737 N LEU A 49 7.423 -1.167 0.748 1.00 0.00 N ATOM 738 CA LEU A 49 6.712 -1.686 -0.457 1.00 0.00 C ATOM 739 C LEU A 49 7.694 -1.830 -1.646 1.00 0.00 C ATOM 740 O LEU A 49 7.719 -2.878 -2.314 1.00 0.00 O ATOM 741 CB LEU A 49 5.493 -0.759 -0.844 1.00 0.00 C ATOM 742 CG LEU A 49 4.076 -1.161 -0.298 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.611 -2.507 -0.884 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.031 -1.189 1.238 1.00 0.00 C ATOM 0 H LEU A 49 6.990 -0.336 1.150 1.00 0.00 H new ATOM 0 HA LEU A 49 6.315 -2.672 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.714 0.250 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.435 -0.716 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 49 3.382 -0.388 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.627 -2.757 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.555 -2.431 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.321 -3.287 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.031 -1.472 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.755 -1.914 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.275 -0.201 1.627 1.00 0.00 H new ATOM 756 N GLU A 50 8.516 -0.768 -1.860 1.00 0.00 N ATOM 757 CA GLU A 50 9.526 -0.708 -2.948 1.00 0.00 C ATOM 758 C GLU A 50 10.478 -1.912 -2.883 1.00 0.00 C ATOM 759 O GLU A 50 10.746 -2.557 -3.896 1.00 0.00 O ATOM 760 CB GLU A 50 10.372 0.611 -2.875 1.00 0.00 C ATOM 761 CG GLU A 50 9.571 1.918 -2.706 1.00 0.00 C ATOM 762 CD GLU A 50 8.722 2.327 -3.915 1.00 0.00 C ATOM 763 OE1 GLU A 50 7.735 1.635 -4.235 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.043 3.356 -4.555 1.00 0.00 O ATOM 0 H GLU A 50 8.496 0.071 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 50 8.977 -0.727 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.071 0.526 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.968 0.688 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.916 1.814 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.268 2.726 -2.482 1.00 0.00 H new ATOM 771 N GLU A 51 10.976 -2.200 -1.668 1.00 0.00 N ATOM 772 CA GLU A 51 11.992 -3.246 -1.439 1.00 0.00 C ATOM 773 C GLU A 51 11.419 -4.662 -1.630 1.00 0.00 C ATOM 774 O GLU A 51 11.968 -5.453 -2.403 1.00 0.00 O ATOM 775 CB GLU A 51 12.612 -3.075 -0.028 1.00 0.00 C ATOM 776 CG GLU A 51 13.279 -1.702 0.213 1.00 0.00 C ATOM 777 CD GLU A 51 14.420 -1.383 -0.781 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.573 -1.802 -0.529 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.172 -0.708 -1.808 1.00 0.00 O ATOM 0 H GLU A 51 10.687 -1.716 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 51 12.776 -3.126 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.832 -3.223 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.354 -3.858 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.520 -0.922 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.675 -1.673 1.228 1.00 0.00 H new ATOM 786 N TYR A 52 10.299 -4.962 -0.949 1.00 0.00 N ATOM 787 CA TYR A 52 9.716 -6.324 -0.933 1.00 0.00 C ATOM 788 C TYR A 52 9.132 -6.728 -2.301 1.00 0.00 C ATOM 789 O TYR A 52 9.220 -7.899 -2.677 1.00 0.00 O ATOM 790 CB TYR A 52 8.660 -6.468 0.198 1.00 0.00 C ATOM 791 CG TYR A 52 9.263 -6.350 1.617 1.00 0.00 C ATOM 792 CD1 TYR A 52 10.115 -7.337 2.124 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.999 -5.256 2.440 1.00 0.00 C ATOM 794 CE1 TYR A 52 10.668 -7.232 3.384 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.548 -5.150 3.700 1.00 0.00 C ATOM 796 CZ TYR A 52 10.384 -6.137 4.168 1.00 0.00 C ATOM 797 OH TYR A 52 10.930 -6.034 5.428 1.00 0.00 O ATOM 0 H TYR A 52 9.775 -4.281 -0.400 1.00 0.00 H new ATOM 0 HA TYR A 52 10.531 -7.016 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.895 -5.702 0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.163 -7.433 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.345 -8.200 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.348 -4.472 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.322 -8.007 3.754 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.322 -4.294 4.318 1.00 0.00 H new ATOM 0 HH TYR A 52 10.630 -5.201 5.848 1.00 0.00 H new ATOM 807 N PHE A 53 8.552 -5.765 -3.043 1.00 0.00 N ATOM 808 CA PHE A 53 7.981 -6.031 -4.390 1.00 0.00 C ATOM 809 C PHE A 53 8.963 -5.656 -5.534 1.00 0.00 C ATOM 810 O PHE A 53 8.650 -5.912 -6.703 1.00 0.00 O ATOM 811 CB PHE A 53 6.638 -5.285 -4.574 1.00 0.00 C ATOM 812 CG PHE A 53 5.464 -5.808 -3.741 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.327 -5.477 -2.392 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.488 -6.621 -4.316 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.254 -5.945 -1.655 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.418 -7.080 -3.574 1.00 0.00 C ATOM 817 CZ PHE A 53 3.301 -6.742 -2.245 1.00 0.00 C ATOM 0 H PHE A 53 8.464 -4.796 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 53 7.805 -7.105 -4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.792 -4.234 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.360 -5.331 -5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.067 -4.849 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.570 -6.896 -5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.164 -5.683 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.670 -7.706 -4.038 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.463 -7.102 -1.667 1.00 0.00 H new ATOM 827 N ASP A 54 10.116 -5.026 -5.188 1.00 0.00 N ATOM 828 CA ASP A 54 11.229 -4.724 -6.138 1.00 0.00 C ATOM 829 C ASP A 54 10.798 -3.728 -7.241 1.00 0.00 C ATOM 830 O ASP A 54 11.247 -3.823 -8.391 1.00 0.00 O ATOM 831 CB ASP A 54 11.817 -6.033 -6.763 1.00 0.00 C ATOM 832 CG ASP A 54 12.540 -6.920 -5.742 1.00 0.00 C ATOM 833 OD1 ASP A 54 11.874 -7.721 -5.056 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.781 -6.813 -5.613 1.00 0.00 O ATOM 0 H ASP A 54 10.304 -4.710 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 54 12.017 -4.244 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.009 -6.603 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.512 -5.767 -7.560 1.00 0.00 H new ATOM 839 N PHE A 55 9.956 -2.746 -6.877 1.00 0.00 N ATOM 840 CA PHE A 55 9.411 -1.759 -7.841 1.00 0.00 C ATOM 841 C PHE A 55 9.536 -0.329 -7.283 1.00 0.00 C ATOM 842 O PHE A 55 10.137 -0.122 -6.226 1.00 0.00 O ATOM 843 CB PHE A 55 7.923 -2.106 -8.179 1.00 0.00 C ATOM 844 CG PHE A 55 6.893 -1.694 -7.116 1.00 0.00 C ATOM 845 CD1 PHE A 55 6.984 -2.149 -5.809 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.839 -0.844 -7.434 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.062 -1.767 -4.856 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.918 -0.470 -6.481 1.00 0.00 C ATOM 849 CZ PHE A 55 5.030 -0.931 -5.192 1.00 0.00 C ATOM 0 H PHE A 55 9.633 -2.610 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 55 9.992 -1.807 -8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.660 -1.625 -9.121 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.846 -3.182 -8.338 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.790 -2.813 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.741 -0.472 -8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.154 -2.128 -3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.105 0.188 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.307 -0.635 -4.446 1.00 0.00 H new ATOM 859 N SER A 56 8.991 0.655 -8.023 1.00 0.00 N ATOM 860 CA SER A 56 8.886 2.040 -7.545 1.00 0.00 C ATOM 861 C SER A 56 7.477 2.612 -7.817 1.00 0.00 C ATOM 862 O SER A 56 6.971 2.515 -8.938 1.00 0.00 O ATOM 863 CB SER A 56 9.981 2.916 -8.202 1.00 0.00 C ATOM 864 OG SER A 56 10.017 4.218 -7.629 1.00 0.00 O ATOM 0 H SER A 56 8.615 0.511 -8.960 1.00 0.00 H new ATOM 0 HA SER A 56 9.042 2.048 -6.466 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.953 2.437 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.793 2.993 -9.273 1.00 0.00 H new ATOM 0 HG SER A 56 10.719 4.747 -8.063 1.00 0.00 H new ATOM 870 N VAL A 57 6.830 3.160 -6.766 1.00 0.00 N ATOM 871 CA VAL A 57 5.587 3.949 -6.902 1.00 0.00 C ATOM 872 C VAL A 57 5.980 5.401 -7.294 1.00 0.00 C ATOM 873 O VAL A 57 6.856 5.997 -6.648 1.00 0.00 O ATOM 874 CB VAL A 57 4.731 3.964 -5.561 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.329 4.565 -5.790 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.606 2.567 -4.925 1.00 0.00 C ATOM 0 H VAL A 57 7.153 3.068 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 57 4.963 3.489 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 57 5.276 4.600 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.773 4.559 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.427 5.590 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.795 3.971 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.013 2.634 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.118 1.890 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.599 2.187 -4.685 1.00 0.00 H new ATOM 886 N ASP A 58 5.351 5.955 -8.349 1.00 0.00 N ATOM 887 CA ASP A 58 5.705 7.291 -8.895 1.00 0.00 C ATOM 888 C ASP A 58 5.133 8.404 -8.000 1.00 0.00 C ATOM 889 O ASP A 58 4.075 8.227 -7.405 1.00 0.00 O ATOM 890 CB ASP A 58 5.175 7.433 -10.347 1.00 0.00 C ATOM 891 CG ASP A 58 5.586 8.755 -11.024 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.690 8.818 -11.609 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.824 9.739 -10.966 1.00 0.00 O ATOM 0 H ASP A 58 4.588 5.497 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 58 6.791 7.387 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.544 6.598 -10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.087 7.362 -10.337 1.00 0.00 H new ATOM 898 N ASP A 59 5.836 9.547 -7.931 1.00 0.00 N ATOM 899 CA ASP A 59 5.465 10.704 -7.075 1.00 0.00 C ATOM 900 C ASP A 59 4.019 11.187 -7.336 1.00 0.00 C ATOM 901 O ASP A 59 3.263 11.432 -6.392 1.00 0.00 O ATOM 902 CB ASP A 59 6.474 11.864 -7.300 1.00 0.00 C ATOM 903 CG ASP A 59 6.210 13.093 -6.402 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.668 13.104 -5.236 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.533 14.040 -6.847 1.00 0.00 O ATOM 0 H ASP A 59 6.688 9.703 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 59 5.507 10.377 -6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.484 11.498 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.434 12.172 -8.345 1.00 0.00 H new ATOM 910 N ASP A 60 3.646 11.262 -8.625 1.00 0.00 N ATOM 911 CA ASP A 60 2.329 11.779 -9.076 1.00 0.00 C ATOM 912 C ASP A 60 1.166 10.819 -8.763 1.00 0.00 C ATOM 913 O ASP A 60 0.002 11.215 -8.881 1.00 0.00 O ATOM 914 CB ASP A 60 2.362 12.099 -10.591 1.00 0.00 C ATOM 915 CG ASP A 60 3.333 13.240 -10.929 1.00 0.00 C ATOM 916 OD1 ASP A 60 4.531 12.980 -11.180 1.00 0.00 O ATOM 917 OD2 ASP A 60 2.905 14.416 -10.931 1.00 0.00 O ATOM 0 H ASP A 60 4.249 10.966 -9.393 1.00 0.00 H new ATOM 0 HA ASP A 60 2.146 12.694 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.652 11.204 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.360 12.368 -10.924 1.00 0.00 H new ATOM 922 N GLU A 61 1.469 9.571 -8.372 1.00 0.00 N ATOM 923 CA GLU A 61 0.435 8.603 -7.923 1.00 0.00 C ATOM 924 C GLU A 61 0.508 8.387 -6.389 1.00 0.00 C ATOM 925 O GLU A 61 -0.444 7.880 -5.785 1.00 0.00 O ATOM 926 CB GLU A 61 0.533 7.265 -8.713 1.00 0.00 C ATOM 927 CG GLU A 61 1.801 6.437 -8.455 1.00 0.00 C ATOM 928 CD GLU A 61 1.874 5.129 -9.270 1.00 0.00 C ATOM 929 OE1 GLU A 61 1.067 4.210 -9.020 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.758 5.005 -10.149 1.00 0.00 O ATOM 0 H GLU A 61 2.419 9.201 -8.355 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.546 9.026 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.335 6.654 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.476 7.487 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.674 7.047 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.855 6.195 -7.394 1.00 0.00 H new ATOM 937 N ILE A 62 1.632 8.802 -5.760 1.00 0.00 N ATOM 938 CA ILE A 62 1.781 8.781 -4.290 1.00 0.00 C ATOM 939 C ILE A 62 0.965 9.937 -3.649 1.00 0.00 C ATOM 940 O ILE A 62 1.318 11.117 -3.781 1.00 0.00 O ATOM 941 CB ILE A 62 3.302 8.852 -3.843 1.00 0.00 C ATOM 942 CG1 ILE A 62 4.074 7.580 -4.309 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.444 9.028 -2.317 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.533 7.486 -3.897 1.00 0.00 C ATOM 0 H ILE A 62 2.452 9.157 -6.253 1.00 0.00 H new ATOM 0 HA ILE A 62 1.387 7.829 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 62 3.738 9.728 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.553 6.704 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.022 7.528 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.501 9.072 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.954 9.952 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.978 8.184 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.960 6.559 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.082 8.334 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.605 7.497 -2.809 1.00 0.00 H new ATOM 956 N SER A 63 -0.159 9.572 -3.013 1.00 0.00 N ATOM 957 CA SER A 63 -1.009 10.482 -2.227 1.00 0.00 C ATOM 958 C SER A 63 -1.217 9.895 -0.814 1.00 0.00 C ATOM 959 O SER A 63 -0.829 8.754 -0.543 1.00 0.00 O ATOM 960 CB SER A 63 -2.368 10.670 -2.959 1.00 0.00 C ATOM 961 OG SER A 63 -3.245 11.529 -2.242 1.00 0.00 O ATOM 0 H SER A 63 -0.511 8.615 -3.031 1.00 0.00 H new ATOM 0 HA SER A 63 -0.530 11.456 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.191 11.081 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.843 9.699 -3.096 1.00 0.00 H new ATOM 0 HG SER A 63 -4.087 11.623 -2.735 1.00 0.00 H new ATOM 967 N ALA A 64 -1.820 10.690 0.086 1.00 0.00 N ATOM 968 CA ALA A 64 -2.310 10.188 1.392 1.00 0.00 C ATOM 969 C ALA A 64 -3.540 9.271 1.178 1.00 0.00 C ATOM 970 O ALA A 64 -3.795 8.351 1.962 1.00 0.00 O ATOM 971 CB ALA A 64 -2.646 11.361 2.330 1.00 0.00 C ATOM 0 H ALA A 64 -1.983 11.686 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.523 9.601 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.004 10.973 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.752 11.962 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.420 11.980 1.876 1.00 0.00 H new ATOM 977 N GLN A 65 -4.260 9.526 0.061 1.00 0.00 N ATOM 978 CA GLN A 65 -5.414 8.713 -0.385 1.00 0.00 C ATOM 979 C GLN A 65 -4.966 7.324 -0.890 1.00 0.00 C ATOM 980 O GLN A 65 -5.806 6.457 -1.150 1.00 0.00 O ATOM 981 CB GLN A 65 -6.201 9.464 -1.499 1.00 0.00 C ATOM 982 CG GLN A 65 -6.703 10.867 -1.106 1.00 0.00 C ATOM 983 CD GLN A 65 -7.520 10.877 0.190 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.733 10.689 0.177 1.00 0.00 O ATOM 985 NE2 GLN A 65 -6.856 11.121 1.311 1.00 0.00 N ATOM 0 H GLN A 65 -4.054 10.308 -0.561 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.068 8.560 0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.561 9.556 -2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.057 8.856 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.848 11.533 -0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.314 11.267 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.848 11.272 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.353 11.157 2.201 1.00 0.00 H new ATOM 994 N THR A 66 -3.641 7.135 -1.066 1.00 0.00 N ATOM 995 CA THR A 66 -3.058 5.827 -1.395 1.00 0.00 C ATOM 996 C THR A 66 -3.110 4.906 -0.159 1.00 0.00 C ATOM 997 O THR A 66 -3.387 3.714 -0.282 1.00 0.00 O ATOM 998 CB THR A 66 -1.578 5.996 -1.894 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.551 6.906 -3.002 1.00 0.00 O ATOM 1000 CG2 THR A 66 -0.919 4.668 -2.315 1.00 0.00 C ATOM 0 H THR A 66 -2.953 7.883 -0.984 1.00 0.00 H new ATOM 0 HA THR A 66 -3.638 5.373 -2.198 1.00 0.00 H new ATOM 0 HB THR A 66 -1.005 6.383 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.856 6.445 -3.811 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.101 4.858 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.902 3.985 -1.466 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.490 4.221 -3.129 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.871 5.486 1.044 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.787 4.727 2.313 1.00 0.00 C ATOM 1010 C PHE A 67 -4.079 4.774 3.132 1.00 0.00 C ATOM 1011 O PHE A 67 -4.087 4.287 4.271 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.581 5.222 3.158 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.236 4.865 2.533 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.305 5.632 1.500 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.460 3.731 2.945 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.497 5.278 0.912 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.650 3.378 2.348 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.169 4.150 1.335 1.00 0.00 C ATOM 0 H PHE A 67 -2.732 6.490 1.159 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.636 3.682 2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.646 6.304 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.640 4.788 4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.218 6.513 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.062 3.121 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.907 5.884 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.176 2.494 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.104 3.873 0.870 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.171 5.309 2.549 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.457 5.469 3.266 1.00 0.00 C ATOM 1030 C GLU A 68 -7.011 4.098 3.719 1.00 0.00 C ATOM 1031 O GLU A 68 -7.445 3.948 4.856 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.508 6.236 2.411 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.927 5.557 1.095 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.111 6.255 0.407 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -8.954 7.416 -0.030 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.208 5.658 0.318 1.00 0.00 O ATOM 0 H GLU A 68 -5.190 5.638 1.584 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.259 6.070 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.400 6.390 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.108 7.223 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.076 5.542 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.192 4.519 1.297 1.00 0.00 H new ATOM 1043 N THR A 69 -6.971 3.102 2.818 1.00 0.00 N ATOM 1044 CA THR A 69 -7.407 1.720 3.098 1.00 0.00 C ATOM 1045 C THR A 69 -6.412 0.719 2.500 1.00 0.00 C ATOM 1046 O THR A 69 -5.655 1.065 1.578 1.00 0.00 O ATOM 1047 CB THR A 69 -8.835 1.435 2.509 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.846 1.720 1.100 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.948 2.247 3.196 1.00 0.00 C ATOM 0 H THR A 69 -6.632 3.233 1.865 1.00 0.00 H new ATOM 0 HA THR A 69 -7.447 1.604 4.181 1.00 0.00 H new ATOM 0 HB THR A 69 -9.042 0.381 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.738 1.539 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.909 2.004 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.975 2.001 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.749 3.312 3.075 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.439 -0.525 3.025 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.606 -1.635 2.521 1.00 0.00 C ATOM 1059 C LEU A 70 -5.912 -1.931 1.040 1.00 0.00 C ATOM 1060 O LEU A 70 -5.015 -2.299 0.271 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.834 -2.906 3.370 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.960 -4.144 2.978 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.469 -3.860 3.232 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.423 -5.429 3.702 1.00 0.00 C ATOM 0 H LEU A 70 -7.038 -0.786 3.808 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.562 -1.334 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.641 -2.663 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.885 -3.187 3.297 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.094 -4.318 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.880 -4.733 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.155 -3.004 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.315 -3.641 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.790 -6.264 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.348 -5.286 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.458 -5.644 3.435 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.199 -1.748 0.681 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.681 -1.929 -0.678 1.00 0.00 C ATOM 1078 C GLY A 71 -7.012 -0.981 -1.654 1.00 0.00 C ATOM 1079 O GLY A 71 -6.632 -1.391 -2.743 1.00 0.00 O ATOM 0 H GLY A 71 -7.927 -1.469 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.501 -2.957 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.759 -1.772 -0.703 1.00 0.00 H new ATOM 1083 N SER A 72 -6.815 0.284 -1.220 1.00 0.00 N ATOM 1084 CA SER A 72 -6.162 1.327 -2.033 1.00 0.00 C ATOM 1085 C SER A 72 -4.718 0.920 -2.391 1.00 0.00 C ATOM 1086 O SER A 72 -4.358 0.920 -3.577 1.00 0.00 O ATOM 1087 CB SER A 72 -6.209 2.686 -1.299 1.00 0.00 C ATOM 1088 OG SER A 72 -7.546 3.041 -0.994 1.00 0.00 O ATOM 0 H SER A 72 -7.105 0.607 -0.297 1.00 0.00 H new ATOM 0 HA SER A 72 -6.708 1.435 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.623 2.630 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.755 3.457 -1.921 1.00 0.00 H new ATOM 0 HG SER A 72 -7.866 2.497 -0.245 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.915 0.513 -1.365 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.523 0.032 -1.593 1.00 0.00 C ATOM 1096 C LEU A 73 -2.519 -1.160 -2.546 1.00 0.00 C ATOM 1097 O LEU A 73 -1.693 -1.214 -3.458 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.792 -0.406 -0.291 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.337 0.701 0.699 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.548 1.807 -0.027 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.521 1.254 1.486 1.00 0.00 C ATOM 0 H LEU A 73 -4.204 0.509 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.991 0.885 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.451 -1.086 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.910 -0.978 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.657 0.252 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.243 2.568 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.336 1.375 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.178 2.262 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.173 2.027 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.249 1.681 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.988 0.449 2.054 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.451 -2.109 -2.294 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.591 -3.327 -3.089 1.00 0.00 C ATOM 1115 C ALA A 74 -3.807 -2.980 -4.561 1.00 0.00 C ATOM 1116 O ALA A 74 -3.130 -3.541 -5.400 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.715 -4.219 -2.548 1.00 0.00 C ATOM 0 H ALA A 74 -4.123 -2.041 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.665 -3.897 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.794 -5.117 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.493 -4.501 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.659 -3.674 -2.579 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.685 -1.979 -4.827 1.00 0.00 N ATOM 1124 CA LEU A 75 -4.981 -1.474 -6.192 1.00 0.00 C ATOM 1125 C LEU A 75 -3.684 -1.043 -6.893 1.00 0.00 C ATOM 1126 O LEU A 75 -3.393 -1.501 -8.013 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.005 -0.273 -6.147 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.498 -0.602 -6.478 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.638 -1.133 -7.918 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.102 -1.577 -5.451 1.00 0.00 C ATOM 0 H LEU A 75 -5.210 -1.498 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.438 -2.285 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.968 0.167 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.663 0.490 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.067 0.325 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.685 -1.354 -8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.282 -0.379 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.046 -2.042 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.140 -1.783 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.535 -2.508 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.059 -1.131 -4.457 1.00 0.00 H new ATOM 1142 N PHE A 76 -2.903 -0.185 -6.198 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.624 0.330 -6.721 1.00 0.00 C ATOM 1144 C PHE A 76 -0.690 -0.822 -7.121 1.00 0.00 C ATOM 1145 O PHE A 76 -0.354 -0.956 -8.291 1.00 0.00 O ATOM 1146 CB PHE A 76 -0.945 1.294 -5.704 1.00 0.00 C ATOM 1147 CG PHE A 76 -1.533 2.708 -5.735 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.771 2.983 -5.166 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -0.863 3.751 -6.370 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -3.318 4.249 -5.216 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -1.409 5.014 -6.426 1.00 0.00 C ATOM 1152 CZ PHE A 76 -2.635 5.268 -5.849 1.00 0.00 C ATOM 0 H PHE A 76 -3.141 0.165 -5.270 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.837 0.908 -7.620 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.049 0.885 -4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.123 1.346 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.316 2.190 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.099 3.567 -6.825 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.278 4.442 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.874 5.809 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.059 6.260 -5.892 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.363 -1.690 -6.158 1.00 0.00 N ATOM 1163 CA VAL A 77 0.584 -2.809 -6.357 1.00 0.00 C ATOM 1164 C VAL A 77 0.049 -3.882 -7.347 1.00 0.00 C ATOM 1165 O VAL A 77 0.852 -4.610 -7.935 1.00 0.00 O ATOM 1166 CB VAL A 77 1.048 -3.441 -4.995 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.883 -2.430 -4.173 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.145 -3.937 -4.175 1.00 0.00 C ATOM 0 H VAL A 77 -0.745 -1.642 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 77 1.469 -2.378 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 77 1.677 -4.300 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.192 -2.891 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.766 -2.139 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.280 -1.547 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.211 -4.368 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.811 -3.101 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.686 -4.695 -4.741 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.300 -3.998 -7.528 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.868 -4.836 -8.618 1.00 0.00 C ATOM 1180 C GLU A 78 -1.357 -4.287 -9.955 1.00 0.00 C ATOM 1181 O GLU A 78 -0.766 -5.014 -10.753 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.428 -4.835 -8.674 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.170 -5.451 -7.483 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.829 -6.922 -7.194 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -4.108 -7.787 -8.052 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.327 -7.223 -6.092 1.00 0.00 O ATOM 0 H GLU A 78 -1.996 -3.532 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.552 -5.861 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.762 -3.803 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.734 -5.366 -9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.950 -4.861 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.242 -5.371 -7.662 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.551 -2.964 -10.135 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.283 -2.270 -11.408 1.00 0.00 C ATOM 1195 C HIS A 79 0.210 -2.279 -11.765 1.00 0.00 C ATOM 1196 O HIS A 79 0.572 -2.493 -12.923 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.798 -0.814 -11.343 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.271 -0.689 -11.021 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.842 0.473 -10.559 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.287 -1.587 -11.089 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.126 0.286 -10.355 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.427 -0.954 -10.670 1.00 0.00 N ATOM 0 H HIS A 79 -1.898 -2.348 -9.400 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.815 -2.811 -12.190 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.226 -0.272 -10.590 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.605 -0.329 -12.300 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.210 -2.614 -11.414 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.820 1.028 -9.989 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.354 -1.375 -10.612 1.00 0.00 H new ATOM 1211 N LYS A 80 1.058 -2.053 -10.747 1.00 0.00 N ATOM 1212 CA LYS A 80 2.506 -1.863 -10.935 1.00 0.00 C ATOM 1213 C LYS A 80 3.214 -3.183 -11.267 1.00 0.00 C ATOM 1214 O LYS A 80 4.062 -3.221 -12.154 1.00 0.00 O ATOM 1215 CB LYS A 80 3.168 -1.206 -9.686 1.00 0.00 C ATOM 1216 CG LYS A 80 2.486 0.080 -9.155 1.00 0.00 C ATOM 1217 CD LYS A 80 2.166 1.127 -10.238 1.00 0.00 C ATOM 1218 CE LYS A 80 3.402 1.678 -10.953 1.00 0.00 C ATOM 1219 NZ LYS A 80 3.031 2.688 -11.978 1.00 0.00 N ATOM 0 H LYS A 80 0.760 -1.997 -9.773 1.00 0.00 H new ATOM 0 HA LYS A 80 2.622 -1.187 -11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.189 -1.941 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.204 -0.970 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.560 -0.197 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.133 0.537 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.501 0.680 -10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.624 1.955 -9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.075 2.128 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.945 0.860 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.802 2.779 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.163 2.386 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.868 3.606 -11.518 1.00 0.00 H new ATOM 1233 N LEU A 81 2.859 -4.255 -10.541 1.00 0.00 N ATOM 1234 CA LEU A 81 3.491 -5.582 -10.714 1.00 0.00 C ATOM 1235 C LEU A 81 2.925 -6.326 -11.954 1.00 0.00 C ATOM 1236 O LEU A 81 3.552 -7.272 -12.444 1.00 0.00 O ATOM 1237 CB LEU A 81 3.381 -6.436 -9.408 1.00 0.00 C ATOM 1238 CG LEU A 81 4.339 -6.039 -8.215 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.827 -6.060 -8.640 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.966 -4.674 -7.579 1.00 0.00 C ATOM 0 H LEU A 81 2.134 -4.233 -9.824 1.00 0.00 H new ATOM 0 HA LEU A 81 4.553 -5.424 -10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.353 -6.380 -9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.573 -7.478 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 81 4.197 -6.801 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.452 -5.781 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.096 -7.062 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.983 -5.352 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.656 -4.451 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.031 -3.891 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.949 -4.720 -7.190 1.00 0.00 H new ATOM 1252 N SER A 82 1.755 -5.884 -12.474 1.00 0.00 N ATOM 1253 CA SER A 82 1.173 -6.437 -13.720 1.00 0.00 C ATOM 1254 C SER A 82 1.692 -5.686 -14.961 1.00 0.00 C ATOM 1255 O SER A 82 2.050 -6.299 -15.971 1.00 0.00 O ATOM 1256 CB SER A 82 -0.368 -6.362 -13.682 1.00 0.00 C ATOM 1257 OG SER A 82 -0.896 -7.117 -12.609 1.00 0.00 O ATOM 0 H SER A 82 1.195 -5.145 -12.049 1.00 0.00 H new ATOM 0 HA SER A 82 1.482 -7.480 -13.789 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.681 -5.322 -13.586 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.775 -6.731 -14.623 1.00 0.00 H new ATOM 0 HG SER A 82 -0.944 -6.556 -11.807 1.00 0.00 H new