USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 718 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.13 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 6 SER OG : rot 41:sc= 0.543 USER MOD Single : A 8 SER OG : rot 27:sc= 0.406 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -74:sc= 0.608 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00133 USER MOD Single : A 29 SER OG : rot 45:sc= 0.269 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.99) USER MOD Single : A 48 ASN : amide:sc= -0.35 K(o=-0.35,f=-5.1!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 36:sc= 0.209 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 102 ASN : amide:sc= -0.662 K(o=-0.66,f=-2.1!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 112 SER OG : rot 31:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.278 16.077 2.499 1.00 0.00 N ATOM 2 CA ALA A 1 -16.443 15.353 1.928 1.00 0.00 C ATOM 3 C ALA A 1 -16.201 13.846 1.983 1.00 0.00 C ATOM 4 O ALA A 1 -15.090 13.418 2.252 1.00 0.00 O ATOM 5 CB ALA A 1 -16.645 15.768 0.463 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.542 16.492 3.415 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.489 15.413 2.635 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.986 16.833 1.847 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.329 15.603 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.500 15.235 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.827 16.841 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.751 15.523 -0.111 1.00 0.00 H new ATOM 13 N SER A 2 -17.263 13.096 1.693 1.00 0.00 N ATOM 14 CA SER A 2 -17.226 11.587 1.694 1.00 0.00 C ATOM 15 C SER A 2 -16.409 10.998 0.532 1.00 0.00 C ATOM 16 O SER A 2 -15.882 9.906 0.655 1.00 0.00 O ATOM 17 CB SER A 2 -18.679 11.102 1.557 1.00 0.00 C ATOM 18 OG SER A 2 -19.192 11.824 0.447 1.00 0.00 O ATOM 0 H SER A 2 -18.174 13.485 1.450 1.00 0.00 H new ATOM 0 HA SER A 2 -16.748 11.258 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.724 10.026 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.252 11.305 2.462 1.00 0.00 H new ATOM 0 HG SER A 2 -20.125 11.567 0.292 1.00 0.00 H new ATOM 24 N ALA A 3 -16.349 11.763 -0.566 1.00 0.00 N ATOM 25 CA ALA A 3 -15.600 11.400 -1.853 1.00 0.00 C ATOM 26 C ALA A 3 -16.147 10.108 -2.545 1.00 0.00 C ATOM 27 O ALA A 3 -17.230 9.651 -2.207 1.00 0.00 O ATOM 28 CB ALA A 3 -14.052 11.325 -1.594 1.00 0.00 C ATOM 0 H ALA A 3 -16.813 12.669 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.786 12.205 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.540 11.066 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.695 12.292 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.846 10.565 -0.841 1.00 0.00 H new ATOM 34 N ALA A 4 -15.437 9.639 -3.581 1.00 0.00 N ATOM 35 CA ALA A 4 -15.836 8.400 -4.349 1.00 0.00 C ATOM 36 C ALA A 4 -14.638 7.831 -5.121 1.00 0.00 C ATOM 37 O ALA A 4 -13.930 8.594 -5.762 1.00 0.00 O ATOM 38 CB ALA A 4 -16.916 8.776 -5.373 1.00 0.00 C ATOM 0 H ALA A 4 -14.583 10.081 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.201 7.657 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.211 7.889 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.784 9.183 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.521 9.524 -6.060 1.00 0.00 H new ATOM 44 N VAL A 5 -14.449 6.501 -4.985 1.00 0.00 N ATOM 45 CA VAL A 5 -13.341 5.694 -5.645 1.00 0.00 C ATOM 46 C VAL A 5 -14.114 4.501 -6.238 1.00 0.00 C ATOM 47 O VAL A 5 -15.117 4.099 -5.665 1.00 0.00 O ATOM 48 CB VAL A 5 -12.244 5.138 -4.581 1.00 0.00 C ATOM 49 CG1 VAL A 5 -10.852 4.736 -5.280 1.00 0.00 C ATOM 50 CG2 VAL A 5 -11.991 6.158 -3.387 1.00 0.00 C ATOM 0 H VAL A 5 -15.061 5.925 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.775 6.291 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.677 4.230 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.157 4.372 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.028 3.953 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.426 5.610 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.251 5.742 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.624 7.103 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.924 6.329 -2.851 1.00 0.00 H new ATOM 60 N SER A 6 -13.656 4.030 -7.390 1.00 0.00 N ATOM 61 CA SER A 6 -14.295 2.858 -8.115 1.00 0.00 C ATOM 62 C SER A 6 -13.318 2.245 -9.128 1.00 0.00 C ATOM 63 O SER A 6 -12.515 2.970 -9.693 1.00 0.00 O ATOM 64 CB SER A 6 -15.534 3.361 -8.898 1.00 0.00 C ATOM 65 OG SER A 6 -16.621 3.191 -8.000 1.00 0.00 O ATOM 0 H SER A 6 -12.845 4.419 -7.871 1.00 0.00 H new ATOM 0 HA SER A 6 -14.572 2.108 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.421 4.405 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.683 2.788 -9.813 1.00 0.00 H new ATOM 0 HG SER A 6 -16.342 3.446 -7.096 1.00 0.00 H new ATOM 71 N VAL A 7 -13.431 0.909 -9.280 1.00 0.00 N ATOM 72 CA VAL A 7 -12.590 0.053 -10.219 1.00 0.00 C ATOM 73 C VAL A 7 -13.655 -0.653 -11.089 1.00 0.00 C ATOM 74 O VAL A 7 -14.735 -0.915 -10.576 1.00 0.00 O ATOM 75 CB VAL A 7 -11.726 -1.049 -9.396 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.519 -1.665 -10.262 1.00 0.00 C ATOM 77 CG2 VAL A 7 -11.189 -0.475 -8.002 1.00 0.00 C ATOM 0 H VAL A 7 -14.114 0.361 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.868 0.637 -10.790 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.416 -1.864 -9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.976 -2.395 -9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.920 -2.152 -11.151 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.841 -0.866 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.617 -1.247 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.550 0.388 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.034 -0.175 -7.382 1.00 0.00 H new ATOM 87 N SER A 8 -13.341 -0.859 -12.380 1.00 0.00 N ATOM 88 CA SER A 8 -14.290 -1.545 -13.362 1.00 0.00 C ATOM 89 C SER A 8 -13.459 -2.182 -14.572 1.00 0.00 C ATOM 90 O SER A 8 -12.885 -1.369 -15.292 1.00 0.00 O ATOM 91 CB SER A 8 -15.207 -0.429 -13.943 1.00 0.00 C ATOM 92 OG SER A 8 -16.269 -0.326 -13.008 1.00 0.00 O ATOM 0 H SER A 8 -12.453 -0.574 -12.794 1.00 0.00 H new ATOM 0 HA SER A 8 -14.855 -2.332 -12.863 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.671 0.515 -14.042 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.574 -0.692 -14.935 1.00 0.00 H new ATOM 0 HG SER A 8 -15.955 -0.609 -12.124 1.00 0.00 H new ATOM 98 N PRO A 9 -13.278 -3.576 -14.798 1.00 0.00 N ATOM 99 CA PRO A 9 -13.730 -4.778 -13.958 1.00 0.00 C ATOM 100 C PRO A 9 -13.059 -4.809 -12.574 1.00 0.00 C ATOM 101 O PRO A 9 -12.043 -4.181 -12.415 1.00 0.00 O ATOM 102 CB PRO A 9 -13.260 -6.019 -14.741 1.00 0.00 C ATOM 103 CG PRO A 9 -12.644 -5.556 -16.067 1.00 0.00 C ATOM 104 CD PRO A 9 -12.582 -4.028 -16.058 1.00 0.00 C ATOM 0 HA PRO A 9 -14.807 -4.734 -13.796 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.528 -6.579 -14.159 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.099 -6.689 -14.927 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.646 -5.976 -16.189 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.243 -5.907 -16.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.549 -3.682 -16.075 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.071 -3.615 -16.940 1.00 0.00 H new ATOM 112 N ALA A 10 -13.685 -5.529 -11.619 1.00 0.00 N ATOM 113 CA ALA A 10 -13.161 -5.667 -10.185 1.00 0.00 C ATOM 114 C ALA A 10 -13.263 -7.105 -9.648 1.00 0.00 C ATOM 115 O ALA A 10 -12.876 -7.327 -8.508 1.00 0.00 O ATOM 116 CB ALA A 10 -14.041 -4.771 -9.274 1.00 0.00 C ATOM 0 H ALA A 10 -14.555 -6.035 -11.785 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.110 -5.379 -10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.693 -4.847 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.971 -3.735 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -15.078 -5.101 -9.332 1.00 0.00 H new ATOM 122 N THR A 11 -13.788 -8.028 -10.472 1.00 0.00 N ATOM 123 CA THR A 11 -13.957 -9.497 -10.086 1.00 0.00 C ATOM 124 C THR A 11 -13.604 -10.388 -11.286 1.00 0.00 C ATOM 125 O THR A 11 -13.724 -9.959 -12.425 1.00 0.00 O ATOM 126 CB THR A 11 -15.455 -9.817 -9.721 1.00 0.00 C ATOM 127 OG1 THR A 11 -16.190 -9.522 -10.893 1.00 0.00 O ATOM 128 CG2 THR A 11 -16.114 -8.898 -8.651 1.00 0.00 C ATOM 0 H THR A 11 -14.112 -7.813 -11.415 1.00 0.00 H new ATOM 0 HA THR A 11 -13.307 -9.686 -9.232 1.00 0.00 H new ATOM 0 HB THR A 11 -15.464 -10.838 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.141 -9.702 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.143 -9.215 -8.483 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.556 -8.969 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.105 -7.866 -9.002 1.00 0.00 H new ATOM 136 N GLY A 12 -13.141 -11.599 -10.970 1.00 0.00 N ATOM 137 CA GLY A 12 -12.748 -12.619 -12.014 1.00 0.00 C ATOM 138 C GLY A 12 -11.468 -12.256 -12.773 1.00 0.00 C ATOM 139 O GLY A 12 -11.331 -12.637 -13.926 1.00 0.00 O ATOM 0 H GLY A 12 -13.020 -11.922 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.612 -13.587 -11.532 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.565 -12.730 -12.727 1.00 0.00 H new ATOM 143 N LEU A 13 -10.573 -11.559 -12.082 1.00 0.00 N ATOM 144 CA LEU A 13 -9.249 -11.116 -12.672 1.00 0.00 C ATOM 145 C LEU A 13 -8.307 -12.338 -12.795 1.00 0.00 C ATOM 146 O LEU A 13 -8.474 -13.301 -12.058 1.00 0.00 O ATOM 147 CB LEU A 13 -8.566 -10.074 -11.698 1.00 0.00 C ATOM 148 CG LEU A 13 -9.456 -8.792 -11.189 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.541 -7.778 -10.351 1.00 0.00 C ATOM 150 CD2 LEU A 13 -10.225 -8.021 -12.357 1.00 0.00 C ATOM 0 H LEU A 13 -10.710 -11.273 -11.112 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.425 -10.669 -13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.227 -10.616 -10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.677 -9.686 -12.195 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.236 -9.205 -10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.144 -6.933 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.129 -8.292 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.727 -7.418 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.788 -7.189 -11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.502 -7.641 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.910 -8.706 -12.856 1.00 0.00 H new ATOM 162 N ALA A 14 -7.361 -12.230 -13.746 1.00 0.00 N ATOM 163 CA ALA A 14 -6.319 -13.295 -14.063 1.00 0.00 C ATOM 164 C ALA A 14 -4.907 -12.687 -14.014 1.00 0.00 C ATOM 165 O ALA A 14 -4.770 -11.529 -13.665 1.00 0.00 O ATOM 166 CB ALA A 14 -6.621 -13.779 -15.499 1.00 0.00 C ATOM 0 H ALA A 14 -7.275 -11.403 -14.337 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.359 -14.112 -13.342 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.902 -14.548 -15.783 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.629 -14.192 -15.539 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.546 -12.939 -16.189 1.00 0.00 H new ATOM 172 N ASP A 15 -3.907 -13.512 -14.329 1.00 0.00 N ATOM 173 CA ASP A 15 -2.458 -13.081 -14.333 1.00 0.00 C ATOM 174 C ASP A 15 -2.164 -12.061 -15.455 1.00 0.00 C ATOM 175 O ASP A 15 -2.542 -12.292 -16.593 1.00 0.00 O ATOM 176 CB ASP A 15 -1.620 -14.351 -14.597 1.00 0.00 C ATOM 177 CG ASP A 15 -0.194 -13.989 -15.035 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.514 -13.442 -14.202 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.114 -14.292 -16.178 1.00 0.00 O ATOM 0 H ASP A 15 -4.047 -14.488 -14.589 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.218 -12.606 -13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.583 -14.961 -13.694 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.099 -14.953 -15.369 1.00 0.00 H new ATOM 184 N GLY A 16 -1.519 -10.950 -15.079 1.00 0.00 N ATOM 185 CA GLY A 16 -1.152 -9.851 -16.050 1.00 0.00 C ATOM 186 C GLY A 16 -2.365 -9.041 -16.551 1.00 0.00 C ATOM 187 O GLY A 16 -2.273 -8.441 -17.611 1.00 0.00 O ATOM 0 H GLY A 16 -1.231 -10.766 -14.118 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.446 -9.173 -15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.640 -10.290 -16.906 1.00 0.00 H new ATOM 191 N ALA A 17 -3.442 -9.028 -15.760 1.00 0.00 N ATOM 192 CA ALA A 17 -4.700 -8.274 -16.126 1.00 0.00 C ATOM 193 C ALA A 17 -4.509 -6.756 -15.975 1.00 0.00 C ATOM 194 O ALA A 17 -3.962 -6.330 -14.973 1.00 0.00 O ATOM 195 CB ALA A 17 -5.809 -8.690 -15.146 1.00 0.00 C ATOM 0 H ALA A 17 -3.494 -9.517 -14.867 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.949 -8.505 -17.162 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.729 -8.158 -15.390 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.979 -9.764 -15.224 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.507 -8.443 -14.128 1.00 0.00 H new ATOM 201 N THR A 18 -5.000 -6.014 -16.975 1.00 0.00 N ATOM 202 CA THR A 18 -4.922 -4.503 -17.031 1.00 0.00 C ATOM 203 C THR A 18 -6.287 -3.984 -16.571 1.00 0.00 C ATOM 204 O THR A 18 -7.289 -4.455 -17.092 1.00 0.00 O ATOM 205 CB THR A 18 -4.652 -4.138 -18.532 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.303 -4.508 -18.739 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.656 -2.613 -18.905 1.00 0.00 C ATOM 0 H THR A 18 -5.469 -6.422 -17.783 1.00 0.00 H new ATOM 0 HA THR A 18 -4.142 -4.072 -16.404 1.00 0.00 H new ATOM 0 HB THR A 18 -5.440 -4.620 -19.111 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.049 -4.313 -19.665 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.457 -2.499 -19.971 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.630 -2.183 -18.669 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.884 -2.097 -18.334 1.00 0.00 H new ATOM 215 N VAL A 19 -6.270 -3.078 -15.578 1.00 0.00 N ATOM 216 CA VAL A 19 -7.525 -2.450 -14.989 1.00 0.00 C ATOM 217 C VAL A 19 -7.386 -0.911 -14.973 1.00 0.00 C ATOM 218 O VAL A 19 -6.277 -0.412 -14.848 1.00 0.00 O ATOM 219 CB VAL A 19 -7.807 -3.036 -13.513 1.00 0.00 C ATOM 220 CG1 VAL A 19 -8.599 -4.422 -13.588 1.00 0.00 C ATOM 221 CG2 VAL A 19 -6.485 -3.178 -12.613 1.00 0.00 C ATOM 0 H VAL A 19 -5.408 -2.745 -15.146 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.382 -2.705 -15.613 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.433 -2.298 -13.013 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.776 -4.795 -12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.554 -4.269 -14.091 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.008 -5.149 -14.145 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.752 -3.578 -11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.783 -3.853 -13.102 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.021 -2.199 -12.491 1.00 0.00 H new ATOM 231 N THR A 20 -8.543 -0.243 -15.110 1.00 0.00 N ATOM 232 CA THR A 20 -8.669 1.262 -15.131 1.00 0.00 C ATOM 233 C THR A 20 -9.218 1.784 -13.777 1.00 0.00 C ATOM 234 O THR A 20 -10.422 1.794 -13.564 1.00 0.00 O ATOM 235 CB THR A 20 -9.681 1.538 -16.308 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.934 1.224 -17.467 1.00 0.00 O ATOM 237 CG2 THR A 20 -10.104 3.026 -16.572 1.00 0.00 C ATOM 0 H THR A 20 -9.439 -0.719 -15.212 1.00 0.00 H new ATOM 0 HA THR A 20 -7.715 1.769 -15.277 1.00 0.00 H new ATOM 0 HB THR A 20 -10.587 0.983 -16.065 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.489 1.365 -18.262 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.802 3.063 -17.409 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.584 3.431 -15.681 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.221 3.619 -16.810 1.00 0.00 H new ATOM 245 N VAL A 21 -8.291 2.202 -12.908 1.00 0.00 N ATOM 246 CA VAL A 21 -8.645 2.751 -11.534 1.00 0.00 C ATOM 247 C VAL A 21 -9.069 4.205 -11.816 1.00 0.00 C ATOM 248 O VAL A 21 -8.536 4.802 -12.740 1.00 0.00 O ATOM 249 CB VAL A 21 -7.326 2.655 -10.587 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.364 3.617 -9.292 1.00 0.00 C ATOM 251 CG2 VAL A 21 -7.068 1.141 -10.146 1.00 0.00 C ATOM 0 H VAL A 21 -7.290 2.183 -13.101 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.437 2.211 -11.015 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.498 3.015 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.447 3.490 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.450 4.655 -9.612 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.221 3.357 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.182 1.092 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.931 0.771 -9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.915 0.525 -11.032 1.00 0.00 H new ATOM 261 N SER A 22 -10.020 4.695 -11.010 1.00 0.00 N ATOM 262 CA SER A 22 -10.576 6.099 -11.117 1.00 0.00 C ATOM 263 C SER A 22 -10.648 6.743 -9.736 1.00 0.00 C ATOM 264 O SER A 22 -10.526 6.061 -8.729 1.00 0.00 O ATOM 265 CB SER A 22 -12.009 6.018 -11.678 1.00 0.00 C ATOM 266 OG SER A 22 -12.824 5.782 -10.541 1.00 0.00 O ATOM 0 H SER A 22 -10.442 4.150 -10.258 1.00 0.00 H new ATOM 0 HA SER A 22 -9.930 6.690 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.290 6.942 -12.183 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.104 5.214 -12.408 1.00 0.00 H new ATOM 0 HG SER A 22 -12.714 4.854 -10.247 1.00 0.00 H new ATOM 272 N ALA A 23 -10.766 8.061 -9.763 1.00 0.00 N ATOM 273 CA ALA A 23 -10.859 8.912 -8.530 1.00 0.00 C ATOM 274 C ALA A 23 -11.468 10.243 -8.953 1.00 0.00 C ATOM 275 O ALA A 23 -11.145 10.715 -10.032 1.00 0.00 O ATOM 276 CB ALA A 23 -9.447 9.148 -7.967 1.00 0.00 C ATOM 0 H ALA A 23 -10.802 8.597 -10.630 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.466 8.431 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.511 9.766 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.991 8.191 -7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.837 9.655 -8.715 1.00 0.00 H new ATOM 282 N SER A 24 -12.373 10.782 -8.123 1.00 0.00 N ATOM 283 CA SER A 24 -13.057 12.102 -8.428 1.00 0.00 C ATOM 284 C SER A 24 -13.653 12.719 -7.149 1.00 0.00 C ATOM 285 O SER A 24 -13.945 12.004 -6.205 1.00 0.00 O ATOM 286 CB SER A 24 -14.211 11.826 -9.435 1.00 0.00 C ATOM 287 OG SER A 24 -14.698 10.539 -9.073 1.00 0.00 O ATOM 0 H SER A 24 -12.662 10.353 -7.244 1.00 0.00 H new ATOM 0 HA SER A 24 -12.327 12.798 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.993 12.582 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.852 11.840 -10.464 1.00 0.00 H new ATOM 0 HG SER A 24 -15.437 10.290 -9.667 1.00 0.00 H new ATOM 293 N GLY A 25 -13.768 14.046 -7.164 1.00 0.00 N ATOM 294 CA GLY A 25 -14.331 14.832 -6.010 1.00 0.00 C ATOM 295 C GLY A 25 -13.377 14.917 -4.818 1.00 0.00 C ATOM 296 O GLY A 25 -13.570 14.229 -3.828 1.00 0.00 O ATOM 0 H GLY A 25 -13.484 14.623 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.571 15.840 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.266 14.373 -5.687 1.00 0.00 H new ATOM 300 N PHE A 26 -12.408 15.823 -4.959 1.00 0.00 N ATOM 301 CA PHE A 26 -11.350 16.090 -3.912 1.00 0.00 C ATOM 302 C PHE A 26 -11.902 16.984 -2.788 1.00 0.00 C ATOM 303 O PHE A 26 -13.018 17.469 -2.893 1.00 0.00 O ATOM 304 CB PHE A 26 -10.145 16.785 -4.624 1.00 0.00 C ATOM 305 CG PHE A 26 -10.269 18.386 -4.706 1.00 0.00 C ATOM 306 CD1 PHE A 26 -11.159 19.010 -5.619 1.00 0.00 C ATOM 307 CD2 PHE A 26 -9.455 19.262 -3.916 1.00 0.00 C ATOM 308 CE1 PHE A 26 -11.219 20.385 -5.727 1.00 0.00 C ATOM 309 CE2 PHE A 26 -9.548 20.631 -4.060 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.422 21.186 -4.956 1.00 0.00 C ATOM 0 H PHE A 26 -12.311 16.405 -5.791 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.033 15.154 -3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.227 16.529 -4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.054 16.386 -5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.799 18.400 -6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.761 18.846 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.905 20.835 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.923 21.274 -3.458 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.482 22.260 -5.054 1.00 0.00 H new ATOM 320 N ALA A 27 -11.093 17.168 -1.739 1.00 0.00 N ATOM 321 CA ALA A 27 -11.490 18.022 -0.553 1.00 0.00 C ATOM 322 C ALA A 27 -10.276 18.352 0.311 1.00 0.00 C ATOM 323 O ALA A 27 -10.203 19.464 0.813 1.00 0.00 O ATOM 324 CB ALA A 27 -12.492 17.255 0.337 1.00 0.00 C ATOM 0 H ALA A 27 -10.164 16.753 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.933 18.938 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.772 17.876 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.382 17.011 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.030 16.335 0.696 1.00 0.00 H new ATOM 330 N THR A 28 -9.383 17.361 0.450 1.00 0.00 N ATOM 331 CA THR A 28 -8.105 17.481 1.274 1.00 0.00 C ATOM 332 C THR A 28 -6.870 17.066 0.458 1.00 0.00 C ATOM 333 O THR A 28 -5.886 17.791 0.467 1.00 0.00 O ATOM 334 CB THR A 28 -8.210 16.489 2.466 1.00 0.00 C ATOM 335 OG1 THR A 28 -8.986 15.414 1.973 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.027 16.996 3.694 1.00 0.00 C ATOM 0 H THR A 28 -9.497 16.448 0.010 1.00 0.00 H new ATOM 0 HA THR A 28 -7.998 18.518 1.593 1.00 0.00 H new ATOM 0 HB THR A 28 -7.192 16.283 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.095 14.740 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.037 16.227 4.467 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.566 17.902 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.050 17.214 3.386 1.00 0.00 H new ATOM 344 N SER A 29 -6.973 15.931 -0.232 1.00 0.00 N ATOM 345 CA SER A 29 -5.833 15.394 -1.077 1.00 0.00 C ATOM 346 C SER A 29 -5.567 16.232 -2.351 1.00 0.00 C ATOM 347 O SER A 29 -6.466 16.382 -3.162 1.00 0.00 O ATOM 348 CB SER A 29 -6.203 13.962 -1.508 1.00 0.00 C ATOM 349 OG SER A 29 -7.572 14.017 -1.888 1.00 0.00 O ATOM 0 H SER A 29 -7.811 15.350 -0.243 1.00 0.00 H new ATOM 0 HA SER A 29 -4.926 15.432 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.579 13.629 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.051 13.256 -0.692 1.00 0.00 H new ATOM 0 HG SER A 29 -7.726 14.809 -2.444 1.00 0.00 H new ATOM 355 N THR A 30 -4.321 16.737 -2.461 1.00 0.00 N ATOM 356 CA THR A 30 -3.836 17.588 -3.630 1.00 0.00 C ATOM 357 C THR A 30 -2.975 16.750 -4.605 1.00 0.00 C ATOM 358 O THR A 30 -2.447 17.284 -5.565 1.00 0.00 O ATOM 359 CB THR A 30 -2.923 18.690 -2.996 1.00 0.00 C ATOM 360 OG1 THR A 30 -3.495 18.925 -1.725 1.00 0.00 O ATOM 361 CG2 THR A 30 -2.959 20.100 -3.668 1.00 0.00 C ATOM 0 H THR A 30 -3.602 16.581 -1.755 1.00 0.00 H new ATOM 0 HA THR A 30 -4.681 17.994 -4.186 1.00 0.00 H new ATOM 0 HB THR A 30 -1.899 18.321 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.976 19.610 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.285 20.773 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.643 20.016 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.974 20.496 -3.628 1.00 0.00 H new ATOM 369 N SER A 31 -2.863 15.451 -4.314 1.00 0.00 N ATOM 370 CA SER A 31 -2.058 14.461 -5.147 1.00 0.00 C ATOM 371 C SER A 31 -2.463 13.032 -4.712 1.00 0.00 C ATOM 372 O SER A 31 -3.080 12.896 -3.669 1.00 0.00 O ATOM 373 CB SER A 31 -0.535 14.685 -4.862 1.00 0.00 C ATOM 374 OG SER A 31 -0.478 15.007 -3.479 1.00 0.00 O ATOM 0 H SER A 31 -3.314 15.025 -3.504 1.00 0.00 H new ATOM 0 HA SER A 31 -2.251 14.599 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.047 13.791 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.130 15.491 -5.475 1.00 0.00 H new ATOM 0 HG SER A 31 0.454 15.162 -3.217 1.00 0.00 H new ATOM 380 N ALA A 32 -2.151 12.019 -5.545 1.00 0.00 N ATOM 381 CA ALA A 32 -2.496 10.569 -5.229 1.00 0.00 C ATOM 382 C ALA A 32 -1.616 9.597 -6.038 1.00 0.00 C ATOM 383 O ALA A 32 -1.161 9.957 -7.113 1.00 0.00 O ATOM 384 CB ALA A 32 -3.979 10.340 -5.610 1.00 0.00 C ATOM 0 H ALA A 32 -1.668 12.148 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.322 10.382 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.255 9.308 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.611 11.013 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.116 10.538 -6.673 1.00 0.00 H new ATOM 390 N THR A 33 -1.380 8.406 -5.434 1.00 0.00 N ATOM 391 CA THR A 33 -0.544 7.279 -6.027 1.00 0.00 C ATOM 392 C THR A 33 -1.231 5.962 -5.649 1.00 0.00 C ATOM 393 O THR A 33 -1.778 5.882 -4.561 1.00 0.00 O ATOM 394 CB THR A 33 0.871 7.321 -5.356 1.00 0.00 C ATOM 395 OG1 THR A 33 1.435 8.540 -5.765 1.00 0.00 O ATOM 396 CG2 THR A 33 1.919 6.256 -5.845 1.00 0.00 C ATOM 0 H THR A 33 -1.758 8.178 -4.514 1.00 0.00 H new ATOM 0 HA THR A 33 -0.449 7.373 -7.109 1.00 0.00 H new ATOM 0 HB THR A 33 0.701 7.152 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.330 8.633 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.855 6.392 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.534 5.254 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.096 6.383 -6.913 1.00 0.00 H new ATOM 404 N ALA A 34 -1.122 4.974 -6.549 1.00 0.00 N ATOM 405 CA ALA A 34 -1.743 3.595 -6.349 1.00 0.00 C ATOM 406 C ALA A 34 -0.707 2.541 -5.904 1.00 0.00 C ATOM 407 O ALA A 34 0.308 2.393 -6.568 1.00 0.00 O ATOM 408 CB ALA A 34 -2.283 3.147 -7.712 1.00 0.00 C ATOM 0 H ALA A 34 -0.617 5.073 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.509 3.670 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.738 2.161 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.031 3.860 -8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.464 3.101 -8.430 1.00 0.00 H new ATOM 414 N LEU A 35 -1.005 1.878 -4.763 1.00 0.00 N ATOM 415 CA LEU A 35 -0.136 0.790 -4.131 1.00 0.00 C ATOM 416 C LEU A 35 -0.992 -0.494 -4.008 1.00 0.00 C ATOM 417 O LEU A 35 -2.203 -0.381 -3.934 1.00 0.00 O ATOM 418 CB LEU A 35 0.219 1.272 -2.680 1.00 0.00 C ATOM 419 CG LEU A 35 1.400 2.399 -2.607 1.00 0.00 C ATOM 420 CD1 LEU A 35 1.141 3.431 -1.417 1.00 0.00 C ATOM 421 CD2 LEU A 35 2.865 1.757 -2.512 1.00 0.00 C ATOM 0 H LEU A 35 -1.855 2.065 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 35 0.760 0.601 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.680 1.677 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.522 0.408 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 35 1.364 2.948 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.943 4.168 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.188 3.936 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.115 2.894 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.609 2.553 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.935 1.142 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.049 1.139 -3.391 1.00 0.00 H new ATOM 433 N GLN A 36 -0.312 -1.664 -4.039 1.00 0.00 N ATOM 434 CA GLN A 36 -0.954 -3.057 -3.934 1.00 0.00 C ATOM 435 C GLN A 36 -0.145 -3.990 -2.957 1.00 0.00 C ATOM 436 O GLN A 36 0.355 -5.044 -3.340 1.00 0.00 O ATOM 437 CB GLN A 36 -1.047 -3.627 -5.409 1.00 0.00 C ATOM 438 CG GLN A 36 0.295 -3.629 -6.237 1.00 0.00 C ATOM 439 CD GLN A 36 0.263 -2.495 -7.257 1.00 0.00 C ATOM 440 OE1 GLN A 36 0.466 -1.344 -6.936 1.00 0.00 O ATOM 441 NE2 GLN A 36 0.028 -2.775 -8.499 1.00 0.00 N ATOM 0 H GLN A 36 0.703 -1.702 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.953 -3.004 -3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.421 -4.650 -5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.787 -3.043 -5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.148 -3.508 -5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.421 -4.586 -6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.144 -3.740 -8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.015 -2.030 -9.196 1.00 0.00 H new ATOM 450 N CYS A 37 -0.111 -3.577 -1.698 1.00 0.00 N ATOM 451 CA CYS A 37 0.629 -4.341 -0.615 1.00 0.00 C ATOM 452 C CYS A 37 -0.062 -5.642 -0.187 1.00 0.00 C ATOM 453 O CYS A 37 -1.280 -5.714 -0.213 1.00 0.00 O ATOM 454 CB CYS A 37 0.764 -3.432 0.621 1.00 0.00 C ATOM 455 SG CYS A 37 1.316 -1.735 0.342 1.00 0.00 S ATOM 0 H CYS A 37 -0.572 -2.729 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 37 1.596 -4.620 -1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.204 -3.394 1.120 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.461 -3.904 1.313 1.00 0.00 H new ATOM 460 N ALA A 38 0.788 -6.609 0.214 1.00 0.00 N ATOM 461 CA ALA A 38 0.361 -7.984 0.683 1.00 0.00 C ATOM 462 C ALA A 38 0.426 -8.052 2.223 1.00 0.00 C ATOM 463 O ALA A 38 1.511 -7.977 2.784 1.00 0.00 O ATOM 464 CB ALA A 38 1.361 -8.997 0.076 1.00 0.00 C ATOM 0 H ALA A 38 1.799 -6.478 0.229 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.660 -8.204 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.092 -10.006 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.329 -8.933 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.368 -8.767 0.423 1.00 0.00 H new ATOM 470 N ILE A 39 -0.754 -8.162 2.849 1.00 0.00 N ATOM 471 CA ILE A 39 -0.883 -8.242 4.356 1.00 0.00 C ATOM 472 C ILE A 39 -0.449 -9.690 4.757 1.00 0.00 C ATOM 473 O ILE A 39 -0.975 -10.660 4.237 1.00 0.00 O ATOM 474 CB ILE A 39 -2.419 -7.897 4.779 1.00 0.00 C ATOM 475 CG1 ILE A 39 -3.096 -6.663 3.961 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.600 -7.704 6.381 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.262 -5.342 3.777 1.00 0.00 C ATOM 0 H ILE A 39 -1.647 -8.200 2.357 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.252 -7.522 4.877 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.974 -8.786 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.363 -7.028 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.026 -6.401 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.642 -7.476 6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.311 -8.622 6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.968 -6.884 6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.849 -4.617 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.016 -4.928 4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.342 -5.565 3.236 1.00 0.00 H new ATOM 489 N LEU A 40 0.552 -9.738 5.651 1.00 0.00 N ATOM 490 CA LEU A 40 1.170 -11.018 6.213 1.00 0.00 C ATOM 491 C LEU A 40 0.602 -11.200 7.645 1.00 0.00 C ATOM 492 O LEU A 40 -0.285 -10.452 8.015 1.00 0.00 O ATOM 493 CB LEU A 40 2.748 -10.812 6.305 1.00 0.00 C ATOM 494 CG LEU A 40 3.517 -10.245 4.981 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.102 -10.203 5.224 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.179 -11.062 3.642 1.00 0.00 C ATOM 0 H LEU A 40 0.983 -8.894 6.029 1.00 0.00 H new ATOM 0 HA LEU A 40 0.947 -11.883 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.950 -10.127 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.197 -11.770 6.569 1.00 0.00 H new ATOM 0 HG LEU A 40 3.143 -9.233 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.597 -9.822 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.324 -9.550 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.464 -11.208 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.725 -10.629 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.473 -12.104 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.109 -11.009 3.444 1.00 0.00 H new ATOM 508 N ALA A 41 1.113 -12.193 8.387 1.00 0.00 N ATOM 509 CA ALA A 41 0.651 -12.482 9.801 1.00 0.00 C ATOM 510 C ALA A 41 1.001 -11.337 10.764 1.00 0.00 C ATOM 511 O ALA A 41 0.146 -10.899 11.518 1.00 0.00 O ATOM 512 CB ALA A 41 1.372 -13.749 10.287 1.00 0.00 C ATOM 0 H ALA A 41 1.845 -12.821 8.055 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.432 -12.602 9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.057 -13.979 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.122 -14.584 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.449 -13.584 10.270 1.00 0.00 H new ATOM 518 N ASP A 42 2.244 -10.862 10.651 1.00 0.00 N ATOM 519 CA ASP A 42 2.774 -9.727 11.517 1.00 0.00 C ATOM 520 C ASP A 42 2.178 -8.361 11.075 1.00 0.00 C ATOM 521 O ASP A 42 2.154 -7.421 11.862 1.00 0.00 O ATOM 522 CB ASP A 42 4.331 -9.700 11.443 1.00 0.00 C ATOM 523 CG ASP A 42 4.849 -10.063 10.050 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.666 -9.246 9.172 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.406 -11.144 9.948 1.00 0.00 O ATOM 0 H ASP A 42 2.924 -11.222 9.981 1.00 0.00 H new ATOM 0 HA ASP A 42 2.468 -9.900 12.549 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.689 -8.707 11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.740 -10.397 12.174 1.00 0.00 H new ATOM 530 N GLY A 43 1.707 -8.309 9.821 1.00 0.00 N ATOM 531 CA GLY A 43 1.087 -7.073 9.216 1.00 0.00 C ATOM 532 C GLY A 43 2.087 -6.018 8.720 1.00 0.00 C ATOM 533 O GLY A 43 1.702 -4.857 8.663 1.00 0.00 O ATOM 0 H GLY A 43 1.734 -9.105 9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.456 -7.374 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.435 -6.612 9.958 1.00 0.00 H new ATOM 537 N ARG A 44 3.321 -6.439 8.383 1.00 0.00 N ATOM 538 CA ARG A 44 4.382 -5.473 7.872 1.00 0.00 C ATOM 539 C ARG A 44 3.983 -5.047 6.445 1.00 0.00 C ATOM 540 O ARG A 44 3.494 -5.876 5.696 1.00 0.00 O ATOM 541 CB ARG A 44 5.775 -6.187 7.771 1.00 0.00 C ATOM 542 CG ARG A 44 6.507 -6.327 9.178 1.00 0.00 C ATOM 543 CD ARG A 44 7.738 -7.292 9.157 1.00 0.00 C ATOM 544 NE ARG A 44 8.547 -7.024 10.381 1.00 0.00 N ATOM 545 CZ ARG A 44 9.820 -6.759 10.266 1.00 0.00 C ATOM 546 NH1 ARG A 44 10.664 -7.748 10.137 1.00 0.00 N ATOM 547 NH2 ARG A 44 10.209 -5.513 10.287 1.00 0.00 N ATOM 0 H ARG A 44 3.628 -7.410 8.443 1.00 0.00 H new ATOM 0 HA ARG A 44 4.452 -4.626 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.638 -7.178 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.415 -5.627 7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.836 -5.341 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.789 -6.685 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.409 -8.331 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.336 -7.129 8.260 1.00 0.00 H new ATOM 0 HE ARG A 44 8.109 -7.048 11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.325 -8.710 10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.662 -7.558 10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.522 -4.766 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.200 -5.286 10.199 1.00 0.00 H new ATOM 561 N GLY A 45 4.218 -3.779 6.126 1.00 0.00 N ATOM 562 CA GLY A 45 3.878 -3.195 4.769 1.00 0.00 C ATOM 563 C GLY A 45 4.838 -3.612 3.639 1.00 0.00 C ATOM 564 O GLY A 45 5.629 -2.784 3.216 1.00 0.00 O ATOM 0 H GLY A 45 4.642 -3.109 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.866 -3.498 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.876 -2.108 4.845 1.00 0.00 H new ATOM 568 N ALA A 46 4.691 -4.854 3.161 1.00 0.00 N ATOM 569 CA ALA A 46 5.552 -5.416 2.049 1.00 0.00 C ATOM 570 C ALA A 46 4.877 -5.085 0.705 1.00 0.00 C ATOM 571 O ALA A 46 3.921 -5.751 0.335 1.00 0.00 O ATOM 572 CB ALA A 46 5.651 -6.949 2.265 1.00 0.00 C ATOM 0 H ALA A 46 3.991 -5.509 3.510 1.00 0.00 H new ATOM 0 HA ALA A 46 6.555 -4.988 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.266 -7.388 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.103 -7.151 3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.653 -7.386 2.232 1.00 0.00 H new ATOM 578 N CYS A 47 5.363 -3.989 0.062 1.00 0.00 N ATOM 579 CA CYS A 47 4.825 -3.496 -1.277 1.00 0.00 C ATOM 580 C CYS A 47 5.969 -3.176 -2.240 1.00 0.00 C ATOM 581 O CYS A 47 6.989 -2.642 -1.828 1.00 0.00 O ATOM 582 CB CYS A 47 3.976 -2.197 -1.059 1.00 0.00 C ATOM 583 SG CYS A 47 3.319 -1.823 0.595 1.00 0.00 S ATOM 0 H CYS A 47 6.124 -3.419 0.432 1.00 0.00 H new ATOM 0 HA CYS A 47 4.207 -4.286 -1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.590 -1.350 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.129 -2.241 -1.744 1.00 0.00 H new ATOM 588 N ASN A 48 5.747 -3.542 -3.506 1.00 0.00 N ATOM 589 CA ASN A 48 6.749 -3.314 -4.605 1.00 0.00 C ATOM 590 C ASN A 48 6.727 -1.833 -5.044 1.00 0.00 C ATOM 591 O ASN A 48 5.654 -1.286 -5.265 1.00 0.00 O ATOM 592 CB ASN A 48 6.337 -4.234 -5.776 1.00 0.00 C ATOM 593 CG ASN A 48 7.278 -4.033 -6.965 1.00 0.00 C ATOM 594 OD1 ASN A 48 6.957 -3.349 -7.906 1.00 0.00 O ATOM 595 ND2 ASN A 48 8.442 -4.629 -6.971 1.00 0.00 N ATOM 0 H ASN A 48 4.889 -3.999 -3.817 1.00 0.00 H new ATOM 0 HA ASN A 48 7.762 -3.540 -4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.362 -5.276 -5.455 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.311 -4.017 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.070 -4.514 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.722 -5.209 -6.180 1.00 0.00 H new ATOM 602 N VAL A 49 7.927 -1.251 -5.162 1.00 0.00 N ATOM 603 CA VAL A 49 8.138 0.203 -5.578 1.00 0.00 C ATOM 604 C VAL A 49 8.175 0.421 -7.112 1.00 0.00 C ATOM 605 O VAL A 49 8.067 1.548 -7.525 1.00 0.00 O ATOM 606 CB VAL A 49 9.501 0.741 -4.883 1.00 0.00 C ATOM 607 CG1 VAL A 49 9.455 0.539 -3.299 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.850 0.119 -5.505 1.00 0.00 C ATOM 0 H VAL A 49 8.799 -1.747 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 49 7.275 0.773 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 49 9.541 1.807 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.381 0.908 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.611 1.092 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.342 -0.521 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.714 0.531 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.838 -0.965 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.911 0.369 -6.564 1.00 0.00 H new ATOM 618 N ALA A 50 8.319 -0.647 -7.891 1.00 0.00 N ATOM 619 CA ALA A 50 8.375 -0.542 -9.425 1.00 0.00 C ATOM 620 C ALA A 50 7.009 -0.353 -10.136 1.00 0.00 C ATOM 621 O ALA A 50 6.996 0.126 -11.258 1.00 0.00 O ATOM 622 CB ALA A 50 8.976 -1.851 -9.967 1.00 0.00 C ATOM 0 H ALA A 50 8.402 -1.599 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 50 8.965 0.351 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.028 -1.805 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.979 -1.986 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.348 -2.691 -9.669 1.00 0.00 H new ATOM 628 N GLU A 51 5.914 -0.693 -9.451 1.00 0.00 N ATOM 629 CA GLU A 51 4.479 -0.577 -10.015 1.00 0.00 C ATOM 630 C GLU A 51 3.887 0.873 -9.930 1.00 0.00 C ATOM 631 O GLU A 51 2.820 1.132 -10.475 1.00 0.00 O ATOM 632 CB GLU A 51 3.598 -1.565 -9.150 1.00 0.00 C ATOM 633 CG GLU A 51 3.848 -3.091 -9.452 1.00 0.00 C ATOM 634 CD GLU A 51 2.791 -3.632 -10.419 1.00 0.00 C ATOM 635 OE1 GLU A 51 2.819 -3.208 -11.564 1.00 0.00 O ATOM 636 OE2 GLU A 51 2.030 -4.468 -9.964 1.00 0.00 O ATOM 0 H GLU A 51 5.947 -1.057 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 51 4.486 -0.824 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.795 -1.379 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.545 -1.340 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.842 -3.224 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.823 -3.660 -8.522 1.00 0.00 H new ATOM 643 N PHE A 52 4.644 1.788 -9.340 1.00 0.00 N ATOM 644 CA PHE A 52 4.219 3.253 -9.169 1.00 0.00 C ATOM 645 C PHE A 52 4.125 4.074 -10.483 1.00 0.00 C ATOM 646 O PHE A 52 4.574 3.604 -11.519 1.00 0.00 O ATOM 647 CB PHE A 52 5.274 3.919 -8.226 1.00 0.00 C ATOM 648 CG PHE A 52 6.486 4.651 -8.998 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.473 3.914 -9.715 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.696 6.056 -8.915 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.568 4.537 -10.273 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.809 6.641 -9.492 1.00 0.00 C ATOM 653 CZ PHE A 52 8.732 5.888 -10.164 1.00 0.00 C ATOM 0 H PHE A 52 5.567 1.583 -8.956 1.00 0.00 H new ATOM 0 HA PHE A 52 3.206 3.253 -8.766 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.769 4.648 -7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.687 3.156 -7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.360 2.845 -9.823 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.978 6.673 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.304 3.950 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.951 7.708 -9.411 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.593 6.364 -10.610 1.00 0.00 H new ATOM 663 N HIS A 53 3.522 5.273 -10.365 1.00 0.00 N ATOM 664 CA HIS A 53 3.330 6.243 -11.527 1.00 0.00 C ATOM 665 C HIS A 53 3.492 7.694 -11.011 1.00 0.00 C ATOM 666 O HIS A 53 4.456 8.334 -11.361 1.00 0.00 O ATOM 667 CB HIS A 53 1.917 6.031 -12.142 1.00 0.00 C ATOM 668 CG HIS A 53 1.969 4.917 -13.210 1.00 0.00 C ATOM 669 ND1 HIS A 53 2.278 5.117 -14.436 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.709 3.557 -13.106 1.00 0.00 C ATOM 671 CE1 HIS A 53 2.224 3.993 -15.064 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.875 2.979 -14.295 1.00 0.00 N ATOM 0 H HIS A 53 3.148 5.620 -9.482 1.00 0.00 H new ATOM 0 HA HIS A 53 4.078 6.061 -12.299 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.207 5.763 -11.359 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.563 6.960 -12.590 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.417 3.046 -12.200 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.443 3.891 -16.117 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.761 1.997 -14.548 1.00 0.00 H new ATOM 679 N ASP A 54 2.555 8.119 -10.163 1.00 0.00 N ATOM 680 CA ASP A 54 2.487 9.497 -9.513 1.00 0.00 C ATOM 681 C ASP A 54 2.568 10.786 -10.424 1.00 0.00 C ATOM 682 O ASP A 54 3.439 10.953 -11.264 1.00 0.00 O ATOM 683 CB ASP A 54 3.478 9.584 -8.290 1.00 0.00 C ATOM 684 CG ASP A 54 4.836 10.251 -8.585 1.00 0.00 C ATOM 685 OD1 ASP A 54 5.706 9.545 -9.048 1.00 0.00 O ATOM 686 OD2 ASP A 54 4.930 11.434 -8.294 1.00 0.00 O ATOM 0 H ASP A 54 1.781 7.519 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 54 1.448 9.544 -9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.989 10.135 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.661 8.575 -7.920 1.00 0.00 H new ATOM 691 N PHE A 55 1.571 11.656 -10.216 1.00 0.00 N ATOM 692 CA PHE A 55 1.417 12.972 -10.945 1.00 0.00 C ATOM 693 C PHE A 55 0.258 13.715 -10.271 1.00 0.00 C ATOM 694 O PHE A 55 -0.675 13.068 -9.820 1.00 0.00 O ATOM 695 CB PHE A 55 1.161 12.877 -12.505 1.00 0.00 C ATOM 696 CG PHE A 55 0.258 11.652 -12.992 1.00 0.00 C ATOM 697 CD1 PHE A 55 -1.162 11.734 -13.001 1.00 0.00 C ATOM 698 CD2 PHE A 55 0.827 10.502 -13.614 1.00 0.00 C ATOM 699 CE1 PHE A 55 -1.923 10.755 -13.602 1.00 0.00 C ATOM 700 CE2 PHE A 55 0.026 9.549 -14.202 1.00 0.00 C ATOM 701 CZ PHE A 55 -1.332 9.675 -14.198 1.00 0.00 C ATOM 0 H PHE A 55 0.830 11.487 -9.536 1.00 0.00 H new ATOM 0 HA PHE A 55 2.371 13.493 -10.871 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.690 13.803 -12.833 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.126 12.815 -13.009 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.650 12.575 -12.531 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.900 10.377 -13.624 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.000 10.842 -13.602 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.479 8.689 -14.673 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.943 8.919 -14.668 1.00 0.00 H new ATOM 711 N SER A 56 0.364 15.046 -10.204 1.00 0.00 N ATOM 712 CA SER A 56 -0.696 15.917 -9.568 1.00 0.00 C ATOM 713 C SER A 56 -2.020 15.918 -10.362 1.00 0.00 C ATOM 714 O SER A 56 -2.019 15.610 -11.545 1.00 0.00 O ATOM 715 CB SER A 56 -0.141 17.350 -9.562 1.00 0.00 C ATOM 716 OG SER A 56 1.196 17.202 -9.105 1.00 0.00 O ATOM 0 H SER A 56 1.160 15.566 -10.573 1.00 0.00 H new ATOM 0 HA SER A 56 -0.915 15.535 -8.571 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.175 17.795 -10.556 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.718 17.998 -8.903 1.00 0.00 H new ATOM 0 HG SER A 56 1.630 18.080 -9.072 1.00 0.00 H new ATOM 722 N LEU A 57 -3.082 16.366 -9.693 1.00 0.00 N ATOM 723 CA LEU A 57 -4.462 16.432 -10.319 1.00 0.00 C ATOM 724 C LEU A 57 -4.556 17.677 -11.217 1.00 0.00 C ATOM 725 O LEU A 57 -3.896 18.680 -10.968 1.00 0.00 O ATOM 726 CB LEU A 57 -5.565 16.599 -9.185 1.00 0.00 C ATOM 727 CG LEU A 57 -5.474 15.617 -7.880 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.755 15.804 -6.935 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.266 14.071 -8.238 1.00 0.00 C ATOM 0 H LEU A 57 -3.046 16.692 -8.727 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.625 15.517 -10.888 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.528 17.629 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.543 16.454 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.576 15.925 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.672 15.141 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.807 16.838 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.658 15.561 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.216 13.488 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.102 13.722 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.338 13.948 -8.796 1.00 0.00 H new ATOM 741 N SER A 58 -5.375 17.541 -12.265 1.00 0.00 N ATOM 742 CA SER A 58 -5.610 18.640 -13.274 1.00 0.00 C ATOM 743 C SER A 58 -6.481 19.768 -12.718 1.00 0.00 C ATOM 744 O SER A 58 -6.377 20.901 -13.163 1.00 0.00 O ATOM 745 CB SER A 58 -6.339 18.001 -14.470 1.00 0.00 C ATOM 746 OG SER A 58 -6.405 19.037 -15.440 1.00 0.00 O ATOM 0 H SER A 58 -5.899 16.687 -12.458 1.00 0.00 H new ATOM 0 HA SER A 58 -4.651 19.078 -13.549 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.796 17.136 -14.850 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.334 17.655 -14.190 1.00 0.00 H new ATOM 0 HG SER A 58 -6.860 18.705 -16.242 1.00 0.00 H new ATOM 752 N GLY A 59 -7.307 19.408 -11.764 1.00 0.00 N ATOM 753 CA GLY A 59 -8.238 20.375 -11.099 1.00 0.00 C ATOM 754 C GLY A 59 -9.004 19.660 -9.986 1.00 0.00 C ATOM 755 O GLY A 59 -9.335 20.286 -8.990 1.00 0.00 O ATOM 0 H GLY A 59 -7.376 18.454 -11.409 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.676 21.214 -10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.935 20.786 -11.829 1.00 0.00 H new ATOM 759 N GLY A 60 -9.254 18.365 -10.192 1.00 0.00 N ATOM 760 CA GLY A 60 -10.002 17.540 -9.172 1.00 0.00 C ATOM 761 C GLY A 60 -10.213 16.082 -9.619 1.00 0.00 C ATOM 762 O GLY A 60 -11.047 15.424 -9.026 1.00 0.00 O ATOM 0 H GLY A 60 -8.968 17.852 -11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.453 17.550 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.971 18.000 -8.980 1.00 0.00 H new ATOM 766 N GLU A 61 -9.482 15.638 -10.667 1.00 0.00 N ATOM 767 CA GLU A 61 -9.577 14.209 -11.236 1.00 0.00 C ATOM 768 C GLU A 61 -8.163 13.787 -11.670 1.00 0.00 C ATOM 769 O GLU A 61 -7.316 14.645 -11.858 1.00 0.00 O ATOM 770 CB GLU A 61 -10.469 14.140 -12.541 1.00 0.00 C ATOM 771 CG GLU A 61 -11.855 14.827 -12.440 1.00 0.00 C ATOM 772 CD GLU A 61 -12.720 14.350 -13.608 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.539 14.907 -14.678 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.513 13.456 -13.364 1.00 0.00 O ATOM 0 H GLU A 61 -8.809 16.225 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.013 13.573 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.916 14.596 -13.362 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.620 13.092 -12.801 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.331 14.581 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.743 15.911 -12.469 1.00 0.00 H new ATOM 781 N GLY A 62 -7.952 12.472 -11.802 1.00 0.00 N ATOM 782 CA GLY A 62 -6.608 11.927 -12.224 1.00 0.00 C ATOM 783 C GLY A 62 -6.651 10.399 -12.363 1.00 0.00 C ATOM 784 O GLY A 62 -6.296 9.695 -11.432 1.00 0.00 O ATOM 0 H GLY A 62 -8.662 11.760 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.313 12.374 -13.173 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.852 12.208 -11.491 1.00 0.00 H new ATOM 788 N THR A 63 -7.057 9.954 -13.555 1.00 0.00 N ATOM 789 CA THR A 63 -7.164 8.480 -13.897 1.00 0.00 C ATOM 790 C THR A 63 -5.750 7.904 -14.103 1.00 0.00 C ATOM 791 O THR A 63 -4.842 8.664 -14.402 1.00 0.00 O ATOM 792 CB THR A 63 -7.940 8.403 -15.254 1.00 0.00 C ATOM 793 OG1 THR A 63 -8.939 9.400 -15.152 1.00 0.00 O ATOM 794 CG2 THR A 63 -8.770 7.103 -15.505 1.00 0.00 C ATOM 0 H THR A 63 -7.324 10.573 -14.320 1.00 0.00 H new ATOM 0 HA THR A 63 -7.666 7.921 -13.107 1.00 0.00 H new ATOM 0 HB THR A 63 -7.190 8.482 -16.041 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.472 9.415 -15.974 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.262 7.167 -16.476 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.106 6.239 -15.491 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.522 6.995 -14.724 1.00 0.00 H new ATOM 802 N THR A 64 -5.608 6.580 -13.909 1.00 0.00 N ATOM 803 CA THR A 64 -4.264 5.868 -14.078 1.00 0.00 C ATOM 804 C THR A 64 -4.423 4.348 -14.352 1.00 0.00 C ATOM 805 O THR A 64 -5.221 3.694 -13.705 1.00 0.00 O ATOM 806 CB THR A 64 -3.341 6.077 -12.810 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.237 5.227 -13.045 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.880 5.555 -11.436 1.00 0.00 C ATOM 0 H THR A 64 -6.375 5.964 -13.639 1.00 0.00 H new ATOM 0 HA THR A 64 -3.793 6.321 -14.950 1.00 0.00 H new ATOM 0 HB THR A 64 -3.193 7.153 -12.719 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.606 5.297 -12.299 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.148 5.763 -10.655 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.817 6.058 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.050 4.480 -11.497 1.00 0.00 H new ATOM 816 N SER A 65 -3.637 3.859 -15.337 1.00 0.00 N ATOM 817 CA SER A 65 -3.624 2.403 -15.772 1.00 0.00 C ATOM 818 C SER A 65 -2.560 1.656 -14.948 1.00 0.00 C ATOM 819 O SER A 65 -1.422 2.103 -14.931 1.00 0.00 O ATOM 820 CB SER A 65 -3.202 2.358 -17.252 1.00 0.00 C ATOM 821 OG SER A 65 -2.647 1.062 -17.415 1.00 0.00 O ATOM 0 H SER A 65 -2.988 4.443 -15.865 1.00 0.00 H new ATOM 0 HA SER A 65 -4.604 1.949 -15.629 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.054 2.513 -17.914 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.474 3.135 -17.483 1.00 0.00 H new ATOM 0 HG SER A 65 -2.350 0.947 -18.342 1.00 0.00 H new ATOM 827 N VAL A 66 -2.984 0.565 -14.273 1.00 0.00 N ATOM 828 CA VAL A 66 -2.083 -0.318 -13.389 1.00 0.00 C ATOM 829 C VAL A 66 -2.196 -1.768 -13.929 1.00 0.00 C ATOM 830 O VAL A 66 -3.263 -2.145 -14.392 1.00 0.00 O ATOM 831 CB VAL A 66 -2.604 -0.258 -11.844 1.00 0.00 C ATOM 832 CG1 VAL A 66 -1.518 -0.786 -10.779 1.00 0.00 C ATOM 833 CG2 VAL A 66 -3.082 1.212 -11.445 1.00 0.00 C ATOM 0 H VAL A 66 -3.952 0.244 -14.303 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.049 0.026 -13.415 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.454 -0.939 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.932 -0.718 -9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.268 -1.824 -10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.618 -0.174 -10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.422 1.215 -10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.250 1.908 -11.556 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.900 1.518 -12.097 1.00 0.00 H new ATOM 843 N VAL A 67 -1.054 -2.494 -13.858 1.00 0.00 N ATOM 844 CA VAL A 67 -0.907 -3.944 -14.319 1.00 0.00 C ATOM 845 C VAL A 67 -0.603 -4.713 -13.014 1.00 0.00 C ATOM 846 O VAL A 67 0.101 -4.166 -12.183 1.00 0.00 O ATOM 847 CB VAL A 67 0.315 -4.093 -15.380 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.249 -5.473 -16.198 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.372 -2.847 -16.379 1.00 0.00 C ATOM 0 H VAL A 67 -0.188 -2.110 -13.480 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.793 -4.317 -14.832 1.00 0.00 H new ATOM 0 HB VAL A 67 1.235 -4.107 -14.795 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.087 -5.524 -16.893 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.303 -6.311 -15.503 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.687 -5.522 -16.754 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.200 -2.977 -17.076 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.563 -2.783 -16.935 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.518 -1.930 -15.809 1.00 0.00 H new ATOM 859 N VAL A 68 -1.225 -5.913 -12.850 1.00 0.00 N ATOM 860 CA VAL A 68 -1.027 -6.803 -11.602 1.00 0.00 C ATOM 861 C VAL A 68 -0.648 -8.275 -11.991 1.00 0.00 C ATOM 862 O VAL A 68 -1.351 -8.929 -12.746 1.00 0.00 O ATOM 863 CB VAL A 68 -2.321 -6.735 -10.602 1.00 0.00 C ATOM 864 CG1 VAL A 68 -2.646 -5.236 -10.171 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.638 -7.456 -11.164 1.00 0.00 C ATOM 0 H VAL A 68 -1.865 -6.309 -13.539 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.180 -6.402 -11.046 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.022 -7.307 -9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.511 -5.228 -9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.786 -4.812 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.864 -4.641 -11.058 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.444 -7.361 -10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.938 -6.986 -12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.429 -8.512 -11.338 1.00 0.00 H new ATOM 875 N ARG A 69 0.547 -8.678 -11.520 1.00 0.00 N ATOM 876 CA ARG A 69 1.147 -10.060 -11.749 1.00 0.00 C ATOM 877 C ARG A 69 0.699 -10.975 -10.589 1.00 0.00 C ATOM 878 O ARG A 69 0.270 -10.462 -9.566 1.00 0.00 O ATOM 879 CB ARG A 69 2.720 -9.905 -11.742 1.00 0.00 C ATOM 880 CG ARG A 69 3.324 -9.268 -13.067 1.00 0.00 C ATOM 881 CD ARG A 69 3.710 -10.296 -14.182 1.00 0.00 C ATOM 882 NE ARG A 69 4.997 -10.971 -13.835 1.00 0.00 N ATOM 883 CZ ARG A 69 5.362 -12.033 -14.500 1.00 0.00 C ATOM 884 NH1 ARG A 69 6.022 -11.883 -15.615 1.00 0.00 N ATOM 885 NH2 ARG A 69 5.052 -13.211 -14.030 1.00 0.00 N ATOM 0 H ARG A 69 1.148 -8.070 -10.963 1.00 0.00 H new ATOM 0 HA ARG A 69 0.822 -10.491 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.008 -9.286 -10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.169 -10.886 -11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.598 -8.566 -13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.211 -8.692 -12.803 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.919 -11.038 -14.293 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.805 -9.786 -15.141 1.00 0.00 H new ATOM 0 HE ARG A 69 5.585 -10.605 -13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.245 -10.947 -15.954 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.315 -12.702 -16.148 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.532 -13.291 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.329 -14.052 -14.537 1.00 0.00 H new ATOM 899 N ARG A 70 0.818 -12.298 -10.791 1.00 0.00 N ATOM 900 CA ARG A 70 0.423 -13.338 -9.750 1.00 0.00 C ATOM 901 C ARG A 70 1.359 -13.291 -8.500 1.00 0.00 C ATOM 902 O ARG A 70 0.918 -13.656 -7.422 1.00 0.00 O ATOM 903 CB ARG A 70 0.559 -14.744 -10.461 1.00 0.00 C ATOM 904 CG ARG A 70 -0.389 -15.893 -9.878 1.00 0.00 C ATOM 905 CD ARG A 70 0.090 -17.339 -10.235 1.00 0.00 C ATOM 906 NE ARG A 70 0.447 -17.472 -11.681 1.00 0.00 N ATOM 907 CZ ARG A 70 0.971 -18.586 -12.113 1.00 0.00 C ATOM 908 NH1 ARG A 70 0.179 -19.534 -12.532 1.00 0.00 N ATOM 909 NH2 ARG A 70 2.270 -18.713 -12.115 1.00 0.00 N ATOM 0 H ARG A 70 1.181 -12.700 -11.655 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.589 -13.149 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.343 -14.620 -11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.595 -15.075 -10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.442 -15.794 -8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.399 -15.749 -10.261 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.955 -17.595 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.697 -18.052 -9.989 1.00 0.00 H new ATOM 0 HE ARG A 70 0.282 -16.698 -12.324 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.832 -19.397 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.570 -20.412 -12.873 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.858 -17.949 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.697 -19.577 -12.449 1.00 0.00 H new ATOM 923 N SER A 71 2.623 -12.874 -8.714 1.00 0.00 N ATOM 924 CA SER A 71 3.687 -12.761 -7.616 1.00 0.00 C ATOM 925 C SER A 71 4.632 -11.614 -7.954 1.00 0.00 C ATOM 926 O SER A 71 4.736 -11.255 -9.114 1.00 0.00 O ATOM 927 CB SER A 71 4.542 -14.050 -7.569 1.00 0.00 C ATOM 928 OG SER A 71 5.184 -13.992 -6.304 1.00 0.00 O ATOM 0 H SER A 71 2.964 -12.601 -9.635 1.00 0.00 H new ATOM 0 HA SER A 71 3.184 -12.599 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.923 -14.943 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.266 -14.078 -8.383 1.00 0.00 H new ATOM 0 HG SER A 71 4.576 -13.593 -5.647 1.00 0.00 H new ATOM 934 N PHE A 72 5.254 -11.039 -6.914 1.00 0.00 N ATOM 935 CA PHE A 72 6.228 -9.881 -7.100 1.00 0.00 C ATOM 936 C PHE A 72 7.180 -9.745 -5.907 1.00 0.00 C ATOM 937 O PHE A 72 6.814 -10.073 -4.788 1.00 0.00 O ATOM 938 CB PHE A 72 5.448 -8.529 -7.329 1.00 0.00 C ATOM 939 CG PHE A 72 4.116 -8.410 -6.442 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.155 -7.967 -5.089 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.822 -8.692 -6.975 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.995 -7.824 -4.355 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.690 -8.532 -6.202 1.00 0.00 C ATOM 944 CZ PHE A 72 1.777 -8.102 -4.907 1.00 0.00 C ATOM 0 H PHE A 72 5.124 -11.327 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 72 6.827 -10.099 -7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.107 -7.693 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.184 -8.443 -8.383 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.106 -7.740 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.728 -9.034 -7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.051 -7.488 -3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.721 -8.750 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.879 -7.982 -4.319 1.00 0.00 H new ATOM 954 N THR A 73 8.394 -9.281 -6.229 1.00 0.00 N ATOM 955 CA THR A 73 9.492 -9.062 -5.233 1.00 0.00 C ATOM 956 C THR A 73 9.130 -7.901 -4.283 1.00 0.00 C ATOM 957 O THR A 73 9.273 -6.742 -4.644 1.00 0.00 O ATOM 958 CB THR A 73 10.767 -8.746 -6.091 1.00 0.00 C ATOM 959 OG1 THR A 73 11.117 -10.002 -6.639 1.00 0.00 O ATOM 960 CG2 THR A 73 12.075 -8.336 -5.323 1.00 0.00 C ATOM 0 H THR A 73 8.660 -9.042 -7.184 1.00 0.00 H new ATOM 0 HA THR A 73 9.658 -9.929 -4.593 1.00 0.00 H new ATOM 0 HB THR A 73 10.499 -7.914 -6.742 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.914 -9.903 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.874 -8.147 -6.040 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.888 -7.433 -4.742 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.372 -9.143 -4.653 1.00 0.00 H new ATOM 968 N GLY A 74 8.672 -8.281 -3.093 1.00 0.00 N ATOM 969 CA GLY A 74 8.267 -7.296 -2.030 1.00 0.00 C ATOM 970 C GLY A 74 9.504 -6.616 -1.414 1.00 0.00 C ATOM 971 O GLY A 74 10.590 -7.179 -1.476 1.00 0.00 O ATOM 0 H GLY A 74 8.563 -9.257 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.608 -6.542 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.702 -7.807 -1.251 1.00 0.00 H new ATOM 975 N TYR A 75 9.273 -5.417 -0.872 1.00 0.00 N ATOM 976 CA TYR A 75 10.330 -4.559 -0.205 1.00 0.00 C ATOM 977 C TYR A 75 9.707 -3.960 1.071 1.00 0.00 C ATOM 978 O TYR A 75 8.676 -3.300 0.985 1.00 0.00 O ATOM 979 CB TYR A 75 10.722 -3.445 -1.227 1.00 0.00 C ATOM 980 CG TYR A 75 11.742 -2.378 -0.609 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.128 -2.655 -0.533 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.333 -1.083 -0.180 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.020 -1.707 -0.078 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.258 -0.163 0.270 1.00 0.00 C ATOM 985 CZ TYR A 75 13.595 -0.466 0.325 1.00 0.00 C ATOM 986 OH TYR A 75 14.503 0.467 0.783 1.00 0.00 O ATOM 0 H TYR A 75 8.349 -4.986 -0.869 1.00 0.00 H new ATOM 0 HA TYR A 75 11.221 -5.121 0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.172 -3.905 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.821 -2.930 -1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.493 -3.625 -0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.286 -0.818 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.073 -1.946 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 75 11.923 0.814 0.585 1.00 0.00 H new ATOM 0 HH TYR A 75 14.031 1.291 1.026 1.00 0.00 H new ATOM 996 N VAL A 76 10.365 -4.227 2.213 1.00 0.00 N ATOM 997 CA VAL A 76 9.899 -3.726 3.574 1.00 0.00 C ATOM 998 C VAL A 76 10.144 -2.191 3.610 1.00 0.00 C ATOM 999 O VAL A 76 11.124 -1.724 3.049 1.00 0.00 O ATOM 1000 CB VAL A 76 10.674 -4.452 4.803 1.00 0.00 C ATOM 1001 CG1 VAL A 76 9.735 -4.591 6.102 1.00 0.00 C ATOM 1002 CG2 VAL A 76 11.309 -5.869 4.422 1.00 0.00 C ATOM 0 H VAL A 76 11.220 -4.782 2.250 1.00 0.00 H new ATOM 0 HA VAL A 76 8.843 -3.963 3.702 1.00 0.00 H new ATOM 0 HB VAL A 76 11.508 -3.791 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.290 -5.082 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.422 -3.601 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.856 -5.185 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.809 -6.290 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.519 -6.545 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.032 -5.739 3.617 1.00 0.00 H new ATOM 1012 N MET A 77 9.238 -1.473 4.277 1.00 0.00 N ATOM 1013 CA MET A 77 9.303 0.049 4.407 1.00 0.00 C ATOM 1014 C MET A 77 10.573 0.769 5.031 1.00 0.00 C ATOM 1015 O MET A 77 10.986 1.698 4.353 1.00 0.00 O ATOM 1016 CB MET A 77 7.987 0.545 5.129 1.00 0.00 C ATOM 1017 CG MET A 77 6.764 0.803 4.184 1.00 0.00 C ATOM 1018 SD MET A 77 6.711 2.371 3.217 1.00 0.00 S ATOM 1019 CE MET A 77 4.956 2.474 2.696 1.00 0.00 C ATOM 0 H MET A 77 8.435 -1.889 4.749 1.00 0.00 H new ATOM 0 HA MET A 77 9.405 0.359 3.367 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.699 -0.196 5.875 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.212 1.467 5.666 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.713 -0.024 3.476 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.861 0.759 4.792 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.804 3.378 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 77 4.703 1.601 2.094 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.316 2.504 3.578 1.00 0.00 H new ATOM 1029 N PRO A 78 11.189 0.426 6.237 1.00 0.00 N ATOM 1030 CA PRO A 78 12.395 1.184 6.745 1.00 0.00 C ATOM 1031 C PRO A 78 13.672 1.081 5.862 1.00 0.00 C ATOM 1032 O PRO A 78 14.143 2.132 5.471 1.00 0.00 O ATOM 1033 CB PRO A 78 12.653 0.639 8.170 1.00 0.00 C ATOM 1034 CG PRO A 78 11.794 -0.616 8.342 1.00 0.00 C ATOM 1035 CD PRO A 78 10.788 -0.661 7.186 1.00 0.00 C ATOM 0 HA PRO A 78 12.175 2.251 6.725 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.709 0.403 8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.395 1.387 8.920 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.419 -1.509 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.274 -0.594 9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.805 -1.633 6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.772 -0.505 7.549 1.00 0.00 H new ATOM 1043 N ASP A 79 14.170 -0.152 5.552 1.00 0.00 N ATOM 1044 CA ASP A 79 15.428 -0.328 4.688 1.00 0.00 C ATOM 1045 C ASP A 79 15.539 -1.744 4.057 1.00 0.00 C ATOM 1046 O ASP A 79 15.526 -1.835 2.841 1.00 0.00 O ATOM 1047 CB ASP A 79 16.722 -0.081 5.553 1.00 0.00 C ATOM 1048 CG ASP A 79 17.247 1.358 5.411 1.00 0.00 C ATOM 1049 OD1 ASP A 79 17.950 1.590 4.439 1.00 0.00 O ATOM 1050 OD2 ASP A 79 16.943 2.134 6.302 1.00 0.00 O ATOM 0 H ASP A 79 13.751 -1.028 5.865 1.00 0.00 H new ATOM 0 HA ASP A 79 15.344 0.402 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.501 -0.284 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.500 -0.782 5.249 1.00 0.00 H new ATOM 1055 N GLY A 80 15.601 -2.801 4.883 1.00 0.00 N ATOM 1056 CA GLY A 80 15.723 -4.225 4.362 1.00 0.00 C ATOM 1057 C GLY A 80 15.942 -5.188 5.586 1.00 0.00 C ATOM 1058 O GLY A 80 15.753 -4.694 6.686 1.00 0.00 O ATOM 0 H GLY A 80 15.571 -2.728 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.823 -4.506 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.557 -4.303 3.665 1.00 0.00 H new ATOM 1062 N PRO A 81 16.314 -6.538 5.449 1.00 0.00 N ATOM 1063 CA PRO A 81 16.555 -7.344 4.171 1.00 0.00 C ATOM 1064 C PRO A 81 15.264 -7.668 3.413 1.00 0.00 C ATOM 1065 O PRO A 81 14.220 -7.774 4.036 1.00 0.00 O ATOM 1066 CB PRO A 81 17.138 -8.688 4.662 1.00 0.00 C ATOM 1067 CG PRO A 81 17.002 -8.748 6.189 1.00 0.00 C ATOM 1068 CD PRO A 81 16.551 -7.372 6.680 1.00 0.00 C ATOM 0 HA PRO A 81 17.194 -6.775 3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.608 -9.522 4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.185 -8.776 4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.279 -9.511 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.953 -9.022 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.642 -7.451 7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.311 -6.918 7.316 1.00 0.00 H new ATOM 1076 N GLU A 82 15.397 -7.831 2.088 1.00 0.00 N ATOM 1077 CA GLU A 82 14.226 -8.159 1.181 1.00 0.00 C ATOM 1078 C GLU A 82 13.682 -9.570 1.469 1.00 0.00 C ATOM 1079 O GLU A 82 14.467 -10.474 1.711 1.00 0.00 O ATOM 1080 CB GLU A 82 14.746 -8.179 -0.297 1.00 0.00 C ATOM 1081 CG GLU A 82 14.785 -6.785 -0.974 1.00 0.00 C ATOM 1082 CD GLU A 82 15.701 -6.872 -2.198 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.206 -7.330 -3.215 1.00 0.00 O ATOM 1084 OE2 GLU A 82 16.845 -6.478 -2.045 1.00 0.00 O ATOM 0 H GLU A 82 16.288 -7.747 1.599 1.00 0.00 H new ATOM 0 HA GLU A 82 13.445 -7.417 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.749 -8.606 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.109 -8.839 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.782 -6.479 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.154 -6.034 -0.276 1.00 0.00 H new ATOM 1091 N VAL A 83 12.354 -9.697 1.364 1.00 0.00 N ATOM 1092 CA VAL A 83 11.620 -11.004 1.610 1.00 0.00 C ATOM 1093 C VAL A 83 11.722 -11.925 0.382 1.00 0.00 C ATOM 1094 O VAL A 83 11.732 -13.141 0.535 1.00 0.00 O ATOM 1095 CB VAL A 83 10.062 -10.729 1.946 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.829 -10.564 3.517 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.404 -9.506 1.141 1.00 0.00 C ATOM 0 H VAL A 83 11.739 -8.924 1.111 1.00 0.00 H new ATOM 0 HA VAL A 83 12.089 -11.494 2.463 1.00 0.00 H new ATOM 0 HB VAL A 83 9.540 -11.619 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.772 -10.380 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.139 -11.475 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.417 -9.724 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.359 -9.399 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.942 -8.587 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.464 -9.701 0.070 1.00 0.00 H new ATOM 1107 N GLY A 84 11.778 -11.297 -0.780 1.00 0.00 N ATOM 1108 CA GLY A 84 11.881 -11.995 -2.097 1.00 0.00 C ATOM 1109 C GLY A 84 10.487 -12.299 -2.617 1.00 0.00 C ATOM 1110 O GLY A 84 9.511 -11.772 -2.103 1.00 0.00 O ATOM 0 H GLY A 84 11.755 -10.281 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.419 -11.371 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.450 -12.918 -1.988 1.00 0.00 H new ATOM 1114 N ALA A 85 10.472 -13.107 -3.650 1.00 0.00 N ATOM 1115 CA ALA A 85 9.208 -13.547 -4.335 1.00 0.00 C ATOM 1116 C ALA A 85 8.250 -14.345 -3.426 1.00 0.00 C ATOM 1117 O ALA A 85 8.620 -15.413 -2.953 1.00 0.00 O ATOM 1118 CB ALA A 85 9.624 -14.447 -5.514 1.00 0.00 C ATOM 0 H ALA A 85 11.319 -13.497 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 85 8.666 -12.653 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.734 -14.790 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.256 -13.881 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.177 -15.307 -5.137 1.00 0.00 H new ATOM 1124 N VAL A 86 7.083 -13.714 -3.157 1.00 0.00 N ATOM 1125 CA VAL A 86 5.974 -14.290 -2.295 1.00 0.00 C ATOM 1126 C VAL A 86 4.641 -14.120 -3.076 1.00 0.00 C ATOM 1127 O VAL A 86 4.365 -13.058 -3.616 1.00 0.00 O ATOM 1128 CB VAL A 86 6.000 -13.587 -0.829 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.537 -12.057 -0.807 1.00 0.00 C ATOM 1130 CG2 VAL A 86 5.245 -14.458 0.280 1.00 0.00 C ATOM 0 H VAL A 86 6.864 -12.788 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 86 6.102 -15.355 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 86 7.057 -13.560 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.588 -11.676 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.194 -11.469 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.513 -11.982 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.292 -13.944 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.203 -14.592 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.725 -15.433 0.366 1.00 0.00 H new ATOM 1140 N ASP A 87 3.884 -15.208 -3.126 1.00 0.00 N ATOM 1141 CA ASP A 87 2.562 -15.237 -3.837 1.00 0.00 C ATOM 1142 C ASP A 87 1.488 -14.537 -3.002 1.00 0.00 C ATOM 1143 O ASP A 87 1.554 -14.569 -1.787 1.00 0.00 O ATOM 1144 CB ASP A 87 2.172 -16.716 -3.997 1.00 0.00 C ATOM 1145 CG ASP A 87 3.051 -17.354 -5.076 1.00 0.00 C ATOM 1146 OD1 ASP A 87 4.128 -17.792 -4.707 1.00 0.00 O ATOM 1147 OD2 ASP A 87 2.596 -17.366 -6.207 1.00 0.00 O ATOM 0 H ASP A 87 4.141 -16.094 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 87 2.641 -14.728 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.298 -17.242 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.120 -16.800 -4.271 1.00 0.00 H new ATOM 1152 N CYS A 88 0.531 -13.939 -3.691 1.00 0.00 N ATOM 1153 CA CYS A 88 -0.604 -13.202 -3.037 1.00 0.00 C ATOM 1154 C CYS A 88 -1.682 -14.153 -2.470 1.00 0.00 C ATOM 1155 O CYS A 88 -2.299 -13.842 -1.467 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.238 -12.350 -4.150 1.00 0.00 C ATOM 1157 SG CYS A 88 -2.707 -11.388 -3.740 1.00 0.00 S ATOM 0 H CYS A 88 0.493 -13.934 -4.710 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.228 -12.617 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.478 -11.660 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.492 -13.014 -4.976 1.00 0.00 H new ATOM 1162 N ASP A 89 -1.837 -15.297 -3.120 1.00 0.00 N ATOM 1163 CA ASP A 89 -2.853 -16.342 -2.709 1.00 0.00 C ATOM 1164 C ASP A 89 -2.551 -17.106 -1.402 1.00 0.00 C ATOM 1165 O ASP A 89 -3.493 -17.549 -0.763 1.00 0.00 O ATOM 1166 CB ASP A 89 -2.885 -17.392 -3.835 1.00 0.00 C ATOM 1167 CG ASP A 89 -3.157 -16.713 -5.183 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -4.326 -16.484 -5.451 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -2.181 -16.473 -5.876 1.00 0.00 O ATOM 0 H ASP A 89 -1.287 -15.556 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.786 -15.805 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.935 -17.925 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.658 -18.133 -3.630 1.00 0.00 H new ATOM 1174 N THR A 90 -1.278 -17.176 -1.008 1.00 0.00 N ATOM 1175 CA THR A 90 -0.868 -17.921 0.268 1.00 0.00 C ATOM 1176 C THR A 90 -1.115 -17.103 1.548 1.00 0.00 C ATOM 1177 O THR A 90 -1.351 -17.708 2.590 1.00 0.00 O ATOM 1178 CB THR A 90 0.667 -18.225 0.215 1.00 0.00 C ATOM 1179 OG1 THR A 90 1.261 -17.074 -0.336 1.00 0.00 O ATOM 1180 CG2 THR A 90 1.087 -19.370 -0.762 1.00 0.00 C ATOM 0 H THR A 90 -0.502 -16.750 -1.514 1.00 0.00 H new ATOM 0 HA THR A 90 -1.475 -18.826 0.306 1.00 0.00 H new ATOM 0 HB THR A 90 0.964 -18.512 1.224 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.231 -17.202 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.168 -19.502 -0.725 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.598 -20.298 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.788 -19.110 -1.777 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.104 -15.767 1.428 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.331 -14.854 2.634 1.00 0.00 C ATOM 1190 C ALA A 91 -2.817 -14.970 3.199 1.00 0.00 C ATOM 1191 O ALA A 91 -3.668 -15.288 2.381 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.122 -13.392 2.189 1.00 0.00 C ATOM 0 H ALA A 91 -0.948 -15.274 0.549 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.631 -15.154 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.280 -12.727 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.106 -13.267 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.832 -13.147 1.399 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.165 -14.678 4.535 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.591 -14.810 5.017 1.00 0.00 C ATOM 1200 C PRO A 92 -5.527 -13.694 4.494 1.00 0.00 C ATOM 1201 O PRO A 92 -6.569 -14.005 3.940 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.488 -14.711 6.557 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.165 -13.999 6.874 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.256 -14.187 5.653 1.00 0.00 C ATOM 0 HA PRO A 92 -5.024 -15.742 4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.332 -14.155 6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.510 -15.702 7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.333 -12.940 7.071 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.704 -14.420 7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.769 -13.251 5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.466 -14.908 5.861 1.00 0.00 H new ATOM 1212 N GLY A 93 -5.108 -12.435 4.667 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.915 -11.242 4.214 1.00 0.00 C ATOM 1214 C GLY A 93 -5.908 -11.078 2.694 1.00 0.00 C ATOM 1215 O GLY A 93 -6.897 -10.642 2.128 1.00 0.00 O ATOM 0 H GLY A 93 -4.223 -12.192 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.943 -11.349 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.515 -10.339 4.676 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.761 -11.391 2.096 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.561 -11.291 0.597 1.00 0.00 C ATOM 1221 C GLY A 94 -4.303 -9.832 0.169 1.00 0.00 C ATOM 1222 O GLY A 94 -4.254 -8.945 1.003 1.00 0.00 O ATOM 0 H GLY A 94 -3.938 -11.719 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.720 -11.916 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.442 -11.674 0.083 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.131 -9.652 -1.132 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.865 -8.295 -1.737 1.00 0.00 C ATOM 1228 C CYS A 95 -5.109 -7.396 -1.686 1.00 0.00 C ATOM 1229 O CYS A 95 -6.215 -7.911 -1.768 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.503 -8.531 -3.209 1.00 0.00 C ATOM 1231 SG CYS A 95 -2.017 -9.500 -3.549 1.00 0.00 S ATOM 0 H CYS A 95 -4.165 -10.410 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.070 -7.800 -1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.347 -9.027 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.389 -7.559 -3.689 1.00 0.00 H new ATOM 1236 N GLU A 96 -4.868 -6.083 -1.520 1.00 0.00 N ATOM 1237 CA GLU A 96 -5.961 -5.022 -1.444 1.00 0.00 C ATOM 1238 C GLU A 96 -5.412 -3.759 -2.119 1.00 0.00 C ATOM 1239 O GLU A 96 -4.302 -3.373 -1.806 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.221 -4.623 0.054 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.293 -5.469 0.793 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.115 -5.263 2.299 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -7.568 -4.229 2.762 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -6.539 -6.153 2.901 1.00 0.00 O ATOM 0 H GLU A 96 -3.926 -5.701 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.871 -5.404 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.281 -4.700 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.523 -3.576 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.294 -5.167 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.186 -6.524 0.539 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.207 -3.164 -3.017 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.806 -1.904 -3.765 1.00 0.00 C ATOM 1253 C ILE A 97 -6.067 -0.777 -2.748 1.00 0.00 C ATOM 1254 O ILE A 97 -7.128 -0.783 -2.149 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.751 -1.757 -5.082 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.542 -2.942 -6.168 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -6.683 -0.281 -5.751 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.317 -2.852 -7.145 1.00 0.00 C ATOM 0 H ILE A 97 -7.134 -3.512 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.774 -1.896 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.769 -1.877 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.463 -3.882 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.446 -3.000 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.334 -0.247 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.010 0.463 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.658 -0.066 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.316 -3.717 -7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.391 -1.940 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.392 -2.836 -6.568 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.063 0.107 -2.554 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.137 1.289 -1.589 1.00 0.00 C ATOM 1272 C VAL A 98 -4.707 2.517 -2.420 1.00 0.00 C ATOM 1273 O VAL A 98 -3.780 2.424 -3.215 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.150 1.134 -0.300 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -4.539 2.129 0.911 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.105 -0.363 0.218 1.00 0.00 C ATOM 0 H VAL A 98 -4.172 0.045 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.144 1.368 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.157 1.418 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.848 1.980 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.477 3.162 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.555 1.917 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.438 -0.431 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.107 -0.677 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.739 -1.012 -0.577 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.493 3.582 -2.253 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.319 4.930 -2.929 1.00 0.00 C ATOM 1288 C VAL A 99 -5.399 5.899 -1.723 1.00 0.00 C ATOM 1289 O VAL A 99 -6.211 5.676 -0.831 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.509 5.251 -3.990 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.147 6.482 -4.957 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.900 3.965 -4.846 1.00 0.00 C ATOM 0 H VAL A 99 -6.301 3.561 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.401 4.997 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.376 5.541 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.972 6.657 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.978 7.377 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.245 6.248 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.698 4.221 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.029 3.620 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.241 3.174 -4.179 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.526 6.901 -1.705 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.515 7.904 -0.577 1.00 0.00 C ATOM 1304 C GLY A 100 -3.410 8.937 -0.793 1.00 0.00 C ATOM 1305 O GLY A 100 -2.325 8.578 -1.222 1.00 0.00 O ATOM 0 H GLY A 100 -3.823 7.063 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.482 8.404 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.362 7.391 0.373 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.730 10.180 -0.424 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.784 11.357 -0.552 1.00 0.00 C ATOM 1311 C GLY A 101 -1.951 11.518 0.720 1.00 0.00 C ATOM 1312 O GLY A 101 -1.956 10.641 1.571 1.00 0.00 O ATOM 0 H GLY A 101 -4.637 10.427 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.126 11.210 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.352 12.268 -0.739 1.00 0.00 H new ATOM 1316 N ASN A 102 -1.316 12.684 0.819 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.437 13.043 1.999 1.00 0.00 C ATOM 1318 C ASN A 102 -1.253 13.464 3.245 1.00 0.00 C ATOM 1319 O ASN A 102 -0.688 13.494 4.327 1.00 0.00 O ATOM 1320 CB ASN A 102 0.503 14.195 1.564 1.00 0.00 C ATOM 1321 CG ASN A 102 -0.236 15.535 1.463 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -1.196 15.680 0.732 1.00 0.00 O ATOM 1323 ND2 ASN A 102 0.186 16.547 2.174 1.00 0.00 N ATOM 0 H ASN A 102 -1.375 13.416 0.111 1.00 0.00 H new ATOM 0 HA ASN A 102 0.131 12.159 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.320 14.285 2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.949 13.954 0.599 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -0.289 17.447 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.991 16.437 2.791 1.00 0.00 H new ATOM 1330 N THR A 103 -2.547 13.792 3.028 1.00 0.00 N ATOM 1331 CA THR A 103 -3.535 14.233 4.107 1.00 0.00 C ATOM 1332 C THR A 103 -4.795 13.339 4.035 1.00 0.00 C ATOM 1333 O THR A 103 -5.520 13.228 5.012 1.00 0.00 O ATOM 1334 CB THR A 103 -3.990 15.699 3.812 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.350 15.685 2.444 1.00 0.00 O ATOM 1336 CG2 THR A 103 -2.879 16.790 3.860 1.00 0.00 C ATOM 0 H THR A 103 -2.965 13.766 2.098 1.00 0.00 H new ATOM 0 HA THR A 103 -3.058 14.159 5.084 1.00 0.00 H new ATOM 0 HB THR A 103 -4.742 15.947 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.652 16.578 2.176 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.316 17.764 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.431 16.810 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.112 16.561 3.121 1.00 0.00 H new ATOM 1344 N GLY A 104 -4.976 12.661 2.891 1.00 0.00 N ATOM 1345 CA GLY A 104 -6.165 11.739 2.657 1.00 0.00 C ATOM 1346 C GLY A 104 -6.131 10.412 3.463 1.00 0.00 C ATOM 1347 O GLY A 104 -7.108 9.687 3.435 1.00 0.00 O ATOM 0 H GLY A 104 -4.334 12.714 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.079 12.277 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.218 11.501 1.595 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.012 10.145 4.142 1.00 0.00 N ATOM 1352 CA GLU A 105 -4.778 8.900 4.995 1.00 0.00 C ATOM 1353 C GLU A 105 -4.831 7.586 4.164 1.00 0.00 C ATOM 1354 O GLU A 105 -3.799 7.197 3.643 1.00 0.00 O ATOM 1355 CB GLU A 105 -5.672 8.846 6.338 1.00 0.00 C ATOM 1356 CG GLU A 105 -5.367 9.989 7.365 1.00 0.00 C ATOM 1357 CD GLU A 105 -4.342 9.505 8.400 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -3.167 9.594 8.084 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -4.793 9.080 9.452 1.00 0.00 O ATOM 0 H GLU A 105 -4.210 10.776 4.137 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.753 8.987 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.725 8.895 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.515 7.884 6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.983 10.865 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.286 10.294 7.866 1.00 0.00 H new ATOM 1366 N TYR A 106 -5.994 6.926 4.098 1.00 0.00 N ATOM 1367 CA TYR A 106 -6.166 5.628 3.311 1.00 0.00 C ATOM 1368 C TYR A 106 -7.662 5.336 3.050 1.00 0.00 C ATOM 1369 O TYR A 106 -8.510 5.856 3.756 1.00 0.00 O ATOM 1370 CB TYR A 106 -5.492 4.406 4.075 1.00 0.00 C ATOM 1371 CG TYR A 106 -5.579 4.505 5.675 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -6.767 4.182 6.379 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -4.460 4.881 6.469 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -6.812 4.233 7.757 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -4.549 4.917 7.845 1.00 0.00 C ATOM 1376 CZ TYR A 106 -5.715 4.598 8.493 1.00 0.00 C ATOM 1377 OH TYR A 106 -5.782 4.646 9.871 1.00 0.00 O ATOM 0 H TYR A 106 -6.844 7.240 4.566 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.665 5.753 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.970 3.481 3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.444 4.342 3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.650 3.892 5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.529 5.142 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.730 3.980 8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.683 5.202 8.424 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.914 4.923 10.231 1.00 0.00 H new ATOM 1387 N GLY A 107 -7.913 4.543 1.996 1.00 0.00 N ATOM 1388 CA GLY A 107 -9.304 4.126 1.563 1.00 0.00 C ATOM 1389 C GLY A 107 -9.183 2.828 0.744 1.00 0.00 C ATOM 1390 O GLY A 107 -9.006 2.883 -0.462 1.00 0.00 O ATOM 0 H GLY A 107 -7.175 4.161 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.942 3.969 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.768 4.911 0.965 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.303 1.699 1.448 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.208 0.321 0.826 1.00 0.00 C ATOM 1396 C ASN A 108 -10.361 -0.041 -0.146 1.00 0.00 C ATOM 1397 O ASN A 108 -11.380 0.640 -0.194 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.192 -0.695 1.993 1.00 0.00 C ATOM 1399 CG ASN A 108 -10.613 -0.964 2.500 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -11.153 -2.038 2.324 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -11.249 -0.019 3.137 1.00 0.00 N ATOM 0 H ASN A 108 -9.467 1.684 2.455 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.305 0.299 0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.736 -1.628 1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.577 -0.311 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.194 -0.184 3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.801 0.885 3.288 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.106 -1.095 -0.942 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.088 -1.636 -1.971 1.00 0.00 C ATOM 1410 C ALA A 109 -10.665 -3.086 -2.346 1.00 0.00 C ATOM 1411 O ALA A 109 -9.786 -3.293 -3.170 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.084 -0.721 -3.240 1.00 0.00 C ATOM 0 H ALA A 109 -9.227 -1.611 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.097 -1.646 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.789 -1.113 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.377 0.291 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.083 -0.703 -3.672 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.280 -4.050 -1.658 1.00 0.00 N ATOM 1419 CA ALA A 110 -11.003 -5.521 -1.879 1.00 0.00 C ATOM 1420 C ALA A 110 -11.473 -6.043 -3.253 1.00 0.00 C ATOM 1421 O ALA A 110 -12.496 -5.595 -3.749 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.787 -6.289 -0.807 1.00 0.00 C ATOM 0 H ALA A 110 -11.978 -3.866 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.924 -5.665 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.617 -7.359 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.451 -5.978 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.851 -6.077 -0.912 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.664 -6.977 -3.794 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.868 -7.679 -5.141 1.00 0.00 C ATOM 1430 C ILE A 111 -11.035 -9.205 -4.837 1.00 0.00 C ATOM 1431 O ILE A 111 -10.864 -9.561 -3.683 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.585 -7.355 -6.093 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -8.148 -7.485 -5.310 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.769 -5.879 -6.730 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.943 -7.937 -6.205 1.00 0.00 C ATOM 0 H ILE A 111 -9.820 -7.294 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.754 -7.332 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.555 -8.106 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.907 -6.521 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.260 -8.197 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.917 -5.650 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.684 -5.849 -7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.830 -5.142 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.040 -7.993 -5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.155 -8.917 -6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.796 -7.215 -7.008 1.00 0.00 H new ATOM 1447 N SER A 112 -11.389 -10.035 -5.847 1.00 0.00 N ATOM 1448 CA SER A 112 -11.576 -11.536 -5.641 1.00 0.00 C ATOM 1449 C SER A 112 -11.416 -12.309 -6.965 1.00 0.00 C ATOM 1450 O SER A 112 -12.159 -12.068 -7.902 1.00 0.00 O ATOM 1451 CB SER A 112 -13.009 -11.783 -5.125 1.00 0.00 C ATOM 1452 OG SER A 112 -12.919 -11.637 -3.717 1.00 0.00 O ATOM 0 H SER A 112 -11.554 -9.722 -6.804 1.00 0.00 H new ATOM 0 HA SER A 112 -10.822 -11.881 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.712 -11.068 -5.552 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.361 -12.778 -5.398 1.00 0.00 H new ATOM 0 HG SER A 112 -12.216 -10.990 -3.500 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.442 -13.227 -6.984 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.146 -14.078 -8.193 1.00 0.00 C ATOM 1460 C PHE A 113 -11.231 -15.150 -8.370 1.00 0.00 C ATOM 1461 O PHE A 113 -11.870 -15.525 -7.398 1.00 0.00 O ATOM 1462 CB PHE A 113 -8.800 -14.815 -7.947 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.676 -13.798 -7.444 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -6.987 -12.965 -8.359 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.303 -13.686 -6.073 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -6.003 -12.100 -7.929 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.311 -12.808 -5.684 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.669 -12.023 -6.605 1.00 0.00 C ATOM 0 H PHE A 113 -9.834 -13.416 -6.187 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.107 -13.442 -9.077 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.942 -15.602 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.473 -15.299 -8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.236 -13.008 -9.409 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.801 -14.293 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.490 -11.476 -8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.038 -12.739 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.896 -11.340 -6.284 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.400 -15.592 -9.614 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.423 -16.651 -9.976 1.00 0.00 C ATOM 1480 C GLY A 114 -13.871 -16.140 -9.855 1.00 0.00 C ATOM 1481 O GLY A 114 -14.394 -15.749 -10.885 1.00 0.00 O ATOM 1482 OXT GLY A 114 -14.378 -16.192 -8.746 1.00 0.00 O ATOM 0 H GLY A 114 -10.858 -15.253 -10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.245 -16.989 -10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.291 -17.516 -9.326 1.00 0.00 H new TER 1486 GLY A 114