USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 894 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 MET CE :methyl 159:sc= -0.0659 (180deg=-0.619) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.077 (180deg=-0.498) USER MOD Single : A 7 SER OG : rot 180:sc= -0.184 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.43 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.564 USER MOD Single : A 22 GLN : amide:sc= -4.05 X(o=-4.1,f=-3.6) USER MOD Single : A 23 ASN : amide:sc= -1.13! C(o=-1.1!,f=-7!) USER MOD Single : A 24 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.6!) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.112 (180deg=-0.677) USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00855 USER MOD Single : A 33 MET CE :methyl -141:sc= -0.0456 (180deg=-0.456) USER MOD Single : A 36 SER OG : rot 180:sc= -0.133 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.242 F(o=-1.3!,f=-0.24) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.529 USER MOD Single : A 43 MET CE :methyl -152:sc= -0.137 (180deg=-1.56) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.301 X(o=0.3,f=0.052) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00136 USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.0588 (180deg=-0.598) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00244 K(o=-0.0024,f=-1.4!) USER MOD Single : A 66 MET CE :methyl 170:sc= -0.713 (180deg=-1.35) USER MOD Single : A 68 SER OG : rot 70:sc= 0.353 USER MOD Single : A 73 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-4.2!) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.207 (180deg=-1.08) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -34:sc= 0.41 USER MOD Single : A 84 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-4.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -4.76 X(o=-4.8,f=-5.1!) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0911) USER MOD Single : A 105 LYS NZ :NH3+ -157:sc= -0.227 (180deg=-1.41!) USER MOD Single : A 113 ASN :FLIP amide:sc= -1.41! C(o=-4.4!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.748 6.784 12.932 1.00 0.00 N ATOM 2 CA MET A 1 20.484 8.230 13.179 1.00 0.00 C ATOM 3 C MET A 1 19.182 8.641 12.500 1.00 0.00 C ATOM 4 O MET A 1 18.103 8.373 12.989 1.00 0.00 O ATOM 5 CB MET A 1 21.640 9.057 12.617 1.00 0.00 C ATOM 6 CG MET A 1 22.885 8.824 13.474 1.00 0.00 C ATOM 7 SD MET A 1 24.309 9.664 12.733 1.00 0.00 S ATOM 8 CE MET A 1 23.796 11.369 13.067 1.00 0.00 C ATOM 0 H1 MET A 1 21.390 6.418 13.664 1.00 0.00 H new ATOM 0 H2 MET A 1 19.852 6.257 12.963 1.00 0.00 H new ATOM 0 H3 MET A 1 21.186 6.666 11.996 1.00 0.00 H new ATOM 0 HA MET A 1 20.397 8.405 14.251 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.837 8.774 11.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.379 10.115 12.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.717 9.197 14.484 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.085 7.756 13.558 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.667 12.024 13.037 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.077 11.687 12.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.335 11.424 14.053 1.00 0.00 H new ATOM 20 N GLY A 2 19.270 9.293 11.376 1.00 0.00 N ATOM 21 CA GLY A 2 18.032 9.721 10.676 1.00 0.00 C ATOM 22 C GLY A 2 17.315 8.483 10.119 1.00 0.00 C ATOM 23 O GLY A 2 17.896 7.420 10.031 1.00 0.00 O ATOM 0 H GLY A 2 20.143 9.547 10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.378 10.257 11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.277 10.409 9.867 1.00 0.00 H new ATOM 27 N PRO A 3 16.055 8.610 9.758 1.00 0.00 N ATOM 28 CA PRO A 3 15.281 7.457 9.219 1.00 0.00 C ATOM 29 C PRO A 3 16.040 6.683 8.127 1.00 0.00 C ATOM 30 O PRO A 3 17.196 6.940 7.853 1.00 0.00 O ATOM 31 CB PRO A 3 14.020 8.140 8.653 1.00 0.00 C ATOM 32 CG PRO A 3 13.982 9.595 9.163 1.00 0.00 C ATOM 33 CD PRO A 3 15.321 9.904 9.860 1.00 0.00 C ATOM 0 HA PRO A 3 15.075 6.701 9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.035 8.121 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.125 7.604 8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.819 10.283 8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.153 9.731 9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.857 10.713 9.364 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.176 10.206 10.897 1.00 0.00 H new ATOM 41 N VAL A 4 15.390 5.735 7.504 1.00 0.00 N ATOM 42 CA VAL A 4 16.061 4.941 6.439 1.00 0.00 C ATOM 43 C VAL A 4 16.064 5.749 5.121 1.00 0.00 C ATOM 44 O VAL A 4 15.109 6.442 4.832 1.00 0.00 O ATOM 45 CB VAL A 4 15.287 3.633 6.236 1.00 0.00 C ATOM 46 CG1 VAL A 4 15.603 2.662 7.377 1.00 0.00 C ATOM 47 CG2 VAL A 4 13.781 3.923 6.226 1.00 0.00 C ATOM 0 H VAL A 4 14.421 5.478 7.689 1.00 0.00 H new ATOM 0 HA VAL A 4 17.089 4.722 6.729 1.00 0.00 H new ATOM 0 HB VAL A 4 15.582 3.188 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.051 1.734 7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 4 16.672 2.450 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 4 15.311 3.110 8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.232 2.992 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.491 4.372 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.548 4.611 5.413 1.00 0.00 H new ATOM 57 N PRO A 5 17.111 5.670 4.312 1.00 0.00 N ATOM 58 CA PRO A 5 17.136 6.434 3.031 1.00 0.00 C ATOM 59 C PRO A 5 15.891 6.135 2.170 1.00 0.00 C ATOM 60 O PRO A 5 15.138 5.230 2.469 1.00 0.00 O ATOM 61 CB PRO A 5 18.429 5.931 2.352 1.00 0.00 C ATOM 62 CG PRO A 5 19.138 4.948 3.308 1.00 0.00 C ATOM 63 CD PRO A 5 18.315 4.840 4.607 1.00 0.00 C ATOM 0 HA PRO A 5 17.122 7.514 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.194 5.438 1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.084 6.770 2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.234 3.969 2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.147 5.297 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.048 3.807 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.866 5.220 5.467 1.00 0.00 H new ATOM 71 N PRO A 6 15.671 6.884 1.111 1.00 0.00 N ATOM 72 CA PRO A 6 14.484 6.650 0.233 1.00 0.00 C ATOM 73 C PRO A 6 14.558 5.322 -0.540 1.00 0.00 C ATOM 74 O PRO A 6 13.681 4.486 -0.440 1.00 0.00 O ATOM 75 CB PRO A 6 14.542 7.856 -0.724 1.00 0.00 C ATOM 76 CG PRO A 6 15.936 8.499 -0.596 1.00 0.00 C ATOM 77 CD PRO A 6 16.571 8.009 0.718 1.00 0.00 C ATOM 0 HA PRO A 6 13.556 6.570 0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.362 7.537 -1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.765 8.578 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.561 8.225 -1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.855 9.586 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.598 7.675 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.595 8.793 1.475 1.00 0.00 H new ATOM 85 N SER A 7 15.586 5.137 -1.321 1.00 0.00 N ATOM 86 CA SER A 7 15.711 3.882 -2.119 1.00 0.00 C ATOM 87 C SER A 7 15.762 2.668 -1.195 1.00 0.00 C ATOM 88 O SER A 7 15.176 1.639 -1.473 1.00 0.00 O ATOM 89 CB SER A 7 17.006 3.934 -2.925 1.00 0.00 C ATOM 90 OG SER A 7 18.107 3.852 -2.031 1.00 0.00 O ATOM 0 H SER A 7 16.349 5.803 -1.442 1.00 0.00 H new ATOM 0 HA SER A 7 14.849 3.796 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.039 3.112 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.055 4.859 -3.500 1.00 0.00 H new ATOM 0 HG SER A 7 18.944 3.883 -2.539 1.00 0.00 H new ATOM 96 N THR A 8 16.463 2.771 -0.102 1.00 0.00 N ATOM 97 CA THR A 8 16.557 1.611 0.824 1.00 0.00 C ATOM 98 C THR A 8 15.184 1.332 1.435 1.00 0.00 C ATOM 99 O THR A 8 14.790 0.198 1.594 1.00 0.00 O ATOM 100 CB THR A 8 17.559 1.921 1.939 1.00 0.00 C ATOM 101 OG1 THR A 8 18.836 2.179 1.369 1.00 0.00 O ATOM 102 CG2 THR A 8 17.653 0.720 2.879 1.00 0.00 C ATOM 0 H THR A 8 16.973 3.605 0.189 1.00 0.00 H new ATOM 0 HA THR A 8 16.893 0.735 0.270 1.00 0.00 H new ATOM 0 HB THR A 8 17.228 2.797 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.536 1.912 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.366 0.936 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.673 0.520 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.987 -0.154 2.320 1.00 0.00 H new ATOM 110 N ALA A 9 14.451 2.354 1.778 1.00 0.00 N ATOM 111 CA ALA A 9 13.108 2.129 2.378 1.00 0.00 C ATOM 112 C ALA A 9 12.232 1.357 1.392 1.00 0.00 C ATOM 113 O ALA A 9 11.535 0.433 1.760 1.00 0.00 O ATOM 114 CB ALA A 9 12.453 3.476 2.692 1.00 0.00 C ATOM 0 H ALA A 9 14.723 3.331 1.669 1.00 0.00 H new ATOM 0 HA ALA A 9 13.216 1.555 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.470 3.309 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.076 4.028 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.347 4.052 1.773 1.00 0.00 H new ATOM 120 N LEU A 10 12.260 1.724 0.141 1.00 0.00 N ATOM 121 CA LEU A 10 11.425 0.999 -0.856 1.00 0.00 C ATOM 122 C LEU A 10 11.861 -0.472 -0.916 1.00 0.00 C ATOM 123 O LEU A 10 11.043 -1.369 -0.892 1.00 0.00 O ATOM 124 CB LEU A 10 11.564 1.667 -2.238 1.00 0.00 C ATOM 125 CG LEU A 10 10.734 0.904 -3.289 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.247 0.921 -2.907 1.00 0.00 C ATOM 127 CD2 LEU A 10 10.919 1.556 -4.669 1.00 0.00 C ATOM 0 H LEU A 10 12.821 2.490 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 10 10.377 1.041 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.230 2.703 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.612 1.685 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 10 11.078 -0.130 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.672 0.379 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.115 0.445 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.896 1.952 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.331 1.014 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.586 2.593 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.972 1.524 -4.948 1.00 0.00 H new ATOM 139 N ARG A 11 13.141 -0.735 -0.999 1.00 0.00 N ATOM 140 CA ARG A 11 13.603 -2.155 -1.056 1.00 0.00 C ATOM 141 C ARG A 11 13.161 -2.895 0.206 1.00 0.00 C ATOM 142 O ARG A 11 12.725 -4.027 0.157 1.00 0.00 O ATOM 143 CB ARG A 11 15.128 -2.202 -1.169 1.00 0.00 C ATOM 144 CG ARG A 11 15.549 -1.703 -2.551 1.00 0.00 C ATOM 145 CD ARG A 11 17.074 -1.647 -2.637 1.00 0.00 C ATOM 146 NE ARG A 11 17.637 -3.010 -2.430 1.00 0.00 N ATOM 147 CZ ARG A 11 18.871 -3.265 -2.769 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.613 -2.326 -3.291 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.365 -4.460 -2.587 1.00 0.00 N ATOM 0 H ARG A 11 13.881 -0.034 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 11 13.163 -2.636 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.581 -1.584 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.484 -3.220 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.156 -2.365 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.128 -0.714 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.379 -1.260 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.466 -0.963 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 11 17.058 -3.744 -2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.228 -1.392 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.578 -2.526 -3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.786 -5.195 -2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.330 -4.659 -2.852 1.00 0.00 H new ATOM 163 N GLU A 12 13.267 -2.259 1.336 1.00 0.00 N ATOM 164 CA GLU A 12 12.851 -2.915 2.605 1.00 0.00 C ATOM 165 C GLU A 12 11.338 -3.155 2.574 1.00 0.00 C ATOM 166 O GLU A 12 10.846 -4.167 3.037 1.00 0.00 O ATOM 167 CB GLU A 12 13.222 -2.008 3.779 1.00 0.00 C ATOM 168 CG GLU A 12 14.745 -1.971 3.920 1.00 0.00 C ATOM 169 CD GLU A 12 15.127 -1.033 5.064 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.252 -0.335 5.549 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.289 -1.027 5.437 1.00 0.00 O ATOM 0 H GLU A 12 13.625 -1.309 1.437 1.00 0.00 H new ATOM 0 HA GLU A 12 13.359 -3.873 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.835 -1.002 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.768 -2.378 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.128 -2.973 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.199 -1.631 2.989 1.00 0.00 H new ATOM 178 N LEU A 13 10.596 -2.229 2.030 1.00 0.00 N ATOM 179 CA LEU A 13 9.116 -2.399 1.968 1.00 0.00 C ATOM 180 C LEU A 13 8.760 -3.504 0.967 1.00 0.00 C ATOM 181 O LEU A 13 7.901 -4.325 1.219 1.00 0.00 O ATOM 182 CB LEU A 13 8.478 -1.079 1.512 1.00 0.00 C ATOM 183 CG LEU A 13 6.949 -1.221 1.430 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.372 -1.571 2.809 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.349 0.101 0.942 1.00 0.00 C ATOM 0 H LEU A 13 10.951 -1.362 1.626 1.00 0.00 H new ATOM 0 HA LEU A 13 8.742 -2.674 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.738 -0.282 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.876 -0.793 0.538 1.00 0.00 H new ATOM 0 HG LEU A 13 6.700 -2.022 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.289 -1.668 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.799 -2.513 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.618 -0.780 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.265 0.008 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.606 0.897 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.748 0.340 -0.044 1.00 0.00 H new ATOM 197 N ILE A 14 9.398 -3.524 -0.170 1.00 0.00 N ATOM 198 CA ILE A 14 9.075 -4.571 -1.183 1.00 0.00 C ATOM 199 C ILE A 14 9.401 -5.969 -0.635 1.00 0.00 C ATOM 200 O ILE A 14 8.614 -6.888 -0.749 1.00 0.00 O ATOM 201 CB ILE A 14 9.871 -4.305 -2.468 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.327 -3.040 -3.146 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.723 -5.494 -3.425 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.265 -2.618 -4.282 1.00 0.00 C ATOM 0 H ILE A 14 10.127 -2.864 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 14 8.009 -4.532 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 14 10.924 -4.170 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.327 -3.227 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.238 -2.235 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.290 -5.301 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.103 -6.396 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.671 -5.631 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.875 -1.720 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.256 -2.413 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.331 -3.421 -5.016 1.00 0.00 H new ATOM 216 N GLU A 15 10.563 -6.144 -0.066 1.00 0.00 N ATOM 217 CA GLU A 15 10.945 -7.489 0.458 1.00 0.00 C ATOM 218 C GLU A 15 9.958 -7.957 1.538 1.00 0.00 C ATOM 219 O GLU A 15 9.609 -9.120 1.597 1.00 0.00 O ATOM 220 CB GLU A 15 12.354 -7.426 1.056 1.00 0.00 C ATOM 221 CG GLU A 15 13.379 -7.192 -0.057 1.00 0.00 C ATOM 222 CD GLU A 15 14.783 -7.129 0.551 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.885 -7.179 1.766 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.732 -7.024 -0.208 1.00 0.00 O ATOM 0 H GLU A 15 11.265 -5.415 0.059 1.00 0.00 H new ATOM 0 HA GLU A 15 10.921 -8.199 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.412 -6.623 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.578 -8.355 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.324 -7.995 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.156 -6.264 -0.583 1.00 0.00 H new ATOM 231 N GLU A 16 9.521 -7.083 2.409 1.00 0.00 N ATOM 232 CA GLU A 16 8.574 -7.525 3.481 1.00 0.00 C ATOM 233 C GLU A 16 7.198 -7.835 2.886 1.00 0.00 C ATOM 234 O GLU A 16 6.576 -8.822 3.229 1.00 0.00 O ATOM 235 CB GLU A 16 8.427 -6.422 4.534 1.00 0.00 C ATOM 236 CG GLU A 16 7.621 -6.952 5.728 1.00 0.00 C ATOM 237 CD GLU A 16 7.597 -5.899 6.838 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.245 -4.879 6.673 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.935 -6.132 7.836 1.00 0.00 O ATOM 0 H GLU A 16 9.774 -6.095 2.426 1.00 0.00 H new ATOM 0 HA GLU A 16 8.976 -8.426 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.410 -6.089 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.927 -5.556 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.604 -7.190 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.065 -7.876 6.099 1.00 0.00 H new ATOM 246 N LEU A 17 6.705 -6.999 2.013 1.00 0.00 N ATOM 247 CA LEU A 17 5.361 -7.258 1.426 1.00 0.00 C ATOM 248 C LEU A 17 5.370 -8.587 0.664 1.00 0.00 C ATOM 249 O LEU A 17 4.454 -9.373 0.762 1.00 0.00 O ATOM 250 CB LEU A 17 4.983 -6.130 0.461 1.00 0.00 C ATOM 251 CG LEU A 17 4.784 -4.816 1.229 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.622 -3.676 0.218 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.534 -4.896 2.131 1.00 0.00 C ATOM 0 H LEU A 17 7.171 -6.154 1.683 1.00 0.00 H new ATOM 0 HA LEU A 17 4.632 -7.305 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.765 -6.006 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.068 -6.390 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 17 5.651 -4.635 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.480 -2.735 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.516 -3.610 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.755 -3.870 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.411 -3.955 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.653 -5.082 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.654 -5.708 2.848 1.00 0.00 H new ATOM 265 N VAL A 18 6.390 -8.839 -0.108 1.00 0.00 N ATOM 266 CA VAL A 18 6.434 -10.110 -0.888 1.00 0.00 C ATOM 267 C VAL A 18 6.507 -11.312 0.062 1.00 0.00 C ATOM 268 O VAL A 18 5.854 -12.316 -0.138 1.00 0.00 O ATOM 269 CB VAL A 18 7.668 -10.106 -1.797 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.808 -11.467 -2.477 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.519 -9.017 -2.860 1.00 0.00 C ATOM 0 H VAL A 18 7.193 -8.223 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 18 5.530 -10.188 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 18 8.556 -9.907 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.686 -11.462 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.919 -12.243 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.919 -11.668 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.397 -9.016 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.629 -9.212 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.424 -8.046 -2.375 1.00 0.00 H new ATOM 281 N ASN A 19 7.308 -11.222 1.083 1.00 0.00 N ATOM 282 CA ASN A 19 7.445 -12.361 2.035 1.00 0.00 C ATOM 283 C ASN A 19 6.098 -12.705 2.683 1.00 0.00 C ATOM 284 O ASN A 19 5.745 -13.861 2.812 1.00 0.00 O ATOM 285 CB ASN A 19 8.436 -11.974 3.133 1.00 0.00 C ATOM 286 CG ASN A 19 8.575 -13.126 4.129 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.197 -12.997 5.278 1.00 0.00 O ATOM 288 ND2 ASN A 19 9.103 -14.253 3.739 1.00 0.00 N ATOM 0 H ASN A 19 7.878 -10.405 1.302 1.00 0.00 H new ATOM 0 HA ASN A 19 7.799 -13.232 1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.406 -11.740 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.093 -11.076 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.199 -15.026 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.420 -14.361 2.776 1.00 0.00 H new ATOM 295 N ILE A 20 5.360 -11.722 3.121 1.00 0.00 N ATOM 296 CA ILE A 20 4.055 -12.009 3.794 1.00 0.00 C ATOM 297 C ILE A 20 2.943 -12.329 2.777 1.00 0.00 C ATOM 298 O ILE A 20 1.906 -12.837 3.147 1.00 0.00 O ATOM 299 CB ILE A 20 3.654 -10.814 4.669 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.314 -9.605 3.792 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.816 -10.455 5.598 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.977 -8.400 4.680 1.00 0.00 C ATOM 0 H ILE A 20 5.601 -10.734 3.044 1.00 0.00 H new ATOM 0 HA ILE A 20 4.183 -12.893 4.419 1.00 0.00 H new ATOM 0 HB ILE A 20 2.777 -11.083 5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.156 -9.366 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.469 -9.839 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.535 -9.606 6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.052 -11.309 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.691 -10.194 5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.736 -7.542 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.121 -8.641 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.835 -8.160 5.309 1.00 0.00 H new ATOM 314 N THR A 21 3.131 -12.039 1.509 1.00 0.00 N ATOM 315 CA THR A 21 2.047 -12.338 0.507 1.00 0.00 C ATOM 316 C THR A 21 2.330 -13.676 -0.193 1.00 0.00 C ATOM 317 O THR A 21 1.427 -14.348 -0.645 1.00 0.00 O ATOM 318 CB THR A 21 2.008 -11.234 -0.560 1.00 0.00 C ATOM 319 OG1 THR A 21 3.303 -11.086 -1.122 1.00 0.00 O ATOM 320 CG2 THR A 21 1.561 -9.908 0.056 1.00 0.00 C ATOM 0 H THR A 21 3.975 -11.614 1.125 1.00 0.00 H new ATOM 0 HA THR A 21 1.094 -12.388 1.033 1.00 0.00 H new ATOM 0 HB THR A 21 1.295 -11.513 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.850 -10.519 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.539 -9.138 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.565 -10.023 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.260 -9.617 0.840 1.00 0.00 H new ATOM 328 N GLN A 22 3.571 -14.069 -0.292 1.00 0.00 N ATOM 329 CA GLN A 22 3.893 -15.364 -0.968 1.00 0.00 C ATOM 330 C GLN A 22 3.524 -16.547 -0.064 1.00 0.00 C ATOM 331 O GLN A 22 3.092 -17.582 -0.531 1.00 0.00 O ATOM 332 CB GLN A 22 5.389 -15.410 -1.300 1.00 0.00 C ATOM 333 CG GLN A 22 5.686 -14.423 -2.430 1.00 0.00 C ATOM 334 CD GLN A 22 7.186 -14.413 -2.732 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.599 -13.999 -3.797 1.00 0.00 O ATOM 336 NE2 GLN A 22 8.027 -14.839 -1.831 1.00 0.00 N ATOM 0 H GLN A 22 4.376 -13.553 0.064 1.00 0.00 H new ATOM 0 HA GLN A 22 3.313 -15.436 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.977 -15.158 -0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.677 -16.418 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.128 -14.702 -3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.356 -13.423 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.683 -15.187 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.029 -14.824 -2.021 1.00 0.00 H new ATOM 345 N ASN A 23 3.703 -16.411 1.225 1.00 0.00 N ATOM 346 CA ASN A 23 3.377 -17.540 2.156 1.00 0.00 C ATOM 347 C ASN A 23 1.953 -17.391 2.700 1.00 0.00 C ATOM 348 O ASN A 23 1.557 -18.101 3.602 1.00 0.00 O ATOM 349 CB ASN A 23 4.359 -17.530 3.335 1.00 0.00 C ATOM 350 CG ASN A 23 4.105 -16.294 4.206 1.00 0.00 C ATOM 351 OD1 ASN A 23 3.319 -15.440 3.850 1.00 0.00 O ATOM 352 ND2 ASN A 23 4.741 -16.164 5.338 1.00 0.00 N ATOM 0 H ASN A 23 4.060 -15.569 1.676 1.00 0.00 H new ATOM 0 HA ASN A 23 3.456 -18.478 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.239 -18.436 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.385 -17.523 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.578 -15.345 5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.401 -16.881 5.637 1.00 0.00 H new ATOM 359 N GLN A 24 1.179 -16.473 2.186 1.00 0.00 N ATOM 360 CA GLN A 24 -0.205 -16.305 2.725 1.00 0.00 C ATOM 361 C GLN A 24 -1.144 -17.353 2.112 1.00 0.00 C ATOM 362 O GLN A 24 -1.305 -17.436 0.911 1.00 0.00 O ATOM 363 CB GLN A 24 -0.718 -14.884 2.417 1.00 0.00 C ATOM 364 CG GLN A 24 -1.197 -14.781 0.962 1.00 0.00 C ATOM 365 CD GLN A 24 -1.331 -13.308 0.567 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.265 -12.434 1.406 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.518 -12.995 -0.687 1.00 0.00 N ATOM 0 H GLN A 24 1.438 -15.841 1.429 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.184 -16.447 3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.536 -14.633 3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.076 -14.159 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.491 -15.282 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.156 -15.287 0.848 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.574 -13.729 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.608 -12.016 -0.960 1.00 0.00 H new ATOM 376 N LYS A 25 -1.777 -18.144 2.943 1.00 0.00 N ATOM 377 CA LYS A 25 -2.728 -19.172 2.430 1.00 0.00 C ATOM 378 C LYS A 25 -4.087 -18.502 2.239 1.00 0.00 C ATOM 379 O LYS A 25 -4.500 -18.202 1.135 1.00 0.00 O ATOM 380 CB LYS A 25 -2.858 -20.315 3.448 1.00 0.00 C ATOM 381 CG LYS A 25 -3.815 -21.385 2.906 1.00 0.00 C ATOM 382 CD LYS A 25 -3.950 -22.529 3.917 1.00 0.00 C ATOM 383 CE LYS A 25 -4.752 -23.674 3.291 1.00 0.00 C ATOM 384 NZ LYS A 25 -3.976 -24.271 2.165 1.00 0.00 N ATOM 0 H LYS A 25 -1.674 -18.120 3.958 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.368 -19.583 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.880 -20.754 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.229 -19.929 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.793 -20.945 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.443 -21.770 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.963 -22.883 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.447 -22.174 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.966 -24.435 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.711 -23.304 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.289 -25.250 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.134 -23.714 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.963 -24.265 2.400 1.00 0.00 H new ATOM 398 N ALA A 26 -4.776 -18.251 3.318 1.00 0.00 N ATOM 399 CA ALA A 26 -6.102 -17.580 3.229 1.00 0.00 C ATOM 400 C ALA A 26 -5.859 -16.065 3.118 1.00 0.00 C ATOM 401 O ALA A 26 -4.820 -15.582 3.521 1.00 0.00 O ATOM 402 CB ALA A 26 -6.911 -17.909 4.499 1.00 0.00 C ATOM 0 H ALA A 26 -4.474 -18.484 4.264 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.663 -17.923 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.885 -17.423 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.047 -18.988 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.373 -17.549 5.376 1.00 0.00 H new ATOM 408 N PRO A 27 -6.793 -15.309 2.586 1.00 0.00 N ATOM 409 CA PRO A 27 -6.595 -13.841 2.466 1.00 0.00 C ATOM 410 C PRO A 27 -6.031 -13.248 3.763 1.00 0.00 C ATOM 411 O PRO A 27 -6.325 -13.718 4.843 1.00 0.00 O ATOM 412 CB PRO A 27 -8.023 -13.340 2.180 1.00 0.00 C ATOM 413 CG PRO A 27 -8.889 -14.556 1.789 1.00 0.00 C ATOM 414 CD PRO A 27 -8.088 -15.842 2.080 1.00 0.00 C ATOM 0 HA PRO A 27 -5.877 -13.555 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.436 -12.846 3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.014 -12.605 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.821 -14.554 2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.156 -14.507 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.585 -16.471 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.955 -16.448 1.184 1.00 0.00 H new ATOM 422 N LEU A 28 -5.221 -12.234 3.673 1.00 0.00 N ATOM 423 CA LEU A 28 -4.656 -11.651 4.920 1.00 0.00 C ATOM 424 C LEU A 28 -5.797 -11.129 5.794 1.00 0.00 C ATOM 425 O LEU A 28 -5.894 -11.452 6.961 1.00 0.00 O ATOM 426 CB LEU A 28 -3.708 -10.504 4.563 1.00 0.00 C ATOM 427 CG LEU A 28 -2.463 -11.059 3.856 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.628 -9.892 3.321 1.00 0.00 C ATOM 429 CD2 LEU A 28 -1.616 -11.904 4.832 1.00 0.00 C ATOM 0 H LEU A 28 -4.928 -11.788 2.804 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.103 -12.415 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.216 -9.788 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.416 -9.967 5.466 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.777 -11.699 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.742 -10.279 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.223 -9.313 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.324 -9.252 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.738 -12.289 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.299 -11.283 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.212 -12.738 5.203 1.00 0.00 H new ATOM 441 N CYS A 29 -6.672 -10.339 5.236 1.00 0.00 N ATOM 442 CA CYS A 29 -7.819 -9.809 6.031 1.00 0.00 C ATOM 443 C CYS A 29 -8.975 -10.814 5.993 1.00 0.00 C ATOM 444 O CYS A 29 -8.962 -11.759 5.230 1.00 0.00 O ATOM 445 CB CYS A 29 -8.280 -8.477 5.436 1.00 0.00 C ATOM 446 SG CYS A 29 -7.111 -7.173 5.899 1.00 0.00 S ATOM 0 H CYS A 29 -6.644 -10.036 4.262 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.505 -9.656 7.064 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.344 -8.554 4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.278 -8.231 5.798 1.00 0.00 H new ATOM 451 N ASN A 30 -9.985 -10.610 6.796 1.00 0.00 N ATOM 452 CA ASN A 30 -11.147 -11.546 6.785 1.00 0.00 C ATOM 453 C ASN A 30 -11.894 -11.399 5.460 1.00 0.00 C ATOM 454 O ASN A 30 -13.109 -11.405 5.420 1.00 0.00 O ATOM 455 CB ASN A 30 -12.097 -11.211 7.936 1.00 0.00 C ATOM 456 CG ASN A 30 -11.352 -11.347 9.261 1.00 0.00 C ATOM 457 OD1 ASN A 30 -10.530 -12.343 9.428 1.00 0.00 O flip ATOM 458 ND2 ASN A 30 -11.520 -10.540 10.153 1.00 0.00 N flip ATOM 0 H ASN A 30 -10.056 -9.837 7.458 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.788 -12.568 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.480 -10.197 7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.957 -11.880 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.164 -9.760 10.021 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.017 -10.642 11.034 1.00 0.00 H new ATOM 465 N GLY A 31 -11.182 -11.258 4.374 1.00 0.00 N ATOM 466 CA GLY A 31 -11.857 -11.098 3.056 1.00 0.00 C ATOM 467 C GLY A 31 -12.223 -9.626 2.854 1.00 0.00 C ATOM 468 O GLY A 31 -13.068 -9.292 2.049 1.00 0.00 O ATOM 0 H GLY A 31 -10.163 -11.247 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.200 -11.435 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.753 -11.717 3.015 1.00 0.00 H new ATOM 472 N SER A 32 -11.593 -8.742 3.582 1.00 0.00 N ATOM 473 CA SER A 32 -11.905 -7.288 3.438 1.00 0.00 C ATOM 474 C SER A 32 -11.531 -6.809 2.030 1.00 0.00 C ATOM 475 O SER A 32 -10.618 -7.324 1.411 1.00 0.00 O ATOM 476 CB SER A 32 -11.105 -6.487 4.468 1.00 0.00 C ATOM 477 OG SER A 32 -11.455 -6.919 5.777 1.00 0.00 O ATOM 0 H SER A 32 -10.875 -8.964 4.271 1.00 0.00 H new ATOM 0 HA SER A 32 -12.972 -7.138 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.037 -6.624 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.311 -5.422 4.357 1.00 0.00 H new ATOM 0 HG SER A 32 -10.942 -6.408 6.438 1.00 0.00 H new ATOM 483 N MET A 33 -12.232 -5.819 1.526 1.00 0.00 N ATOM 484 CA MET A 33 -11.935 -5.274 0.161 1.00 0.00 C ATOM 485 C MET A 33 -11.607 -3.782 0.298 1.00 0.00 C ATOM 486 O MET A 33 -11.946 -3.161 1.286 1.00 0.00 O ATOM 487 CB MET A 33 -13.158 -5.465 -0.747 1.00 0.00 C ATOM 488 CG MET A 33 -13.556 -6.955 -0.785 1.00 0.00 C ATOM 489 SD MET A 33 -14.273 -7.353 -2.397 1.00 0.00 S ATOM 490 CE MET A 33 -15.665 -6.210 -2.303 1.00 0.00 C ATOM 0 H MET A 33 -13.005 -5.361 2.008 1.00 0.00 H new ATOM 0 HA MET A 33 -11.089 -5.800 -0.281 1.00 0.00 H new ATOM 0 HB2 MET A 33 -13.992 -4.866 -0.380 1.00 0.00 H new ATOM 0 HB3 MET A 33 -12.933 -5.114 -1.754 1.00 0.00 H new ATOM 0 HG2 MET A 33 -12.682 -7.580 -0.601 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.274 -7.170 0.006 1.00 0.00 H new ATOM 0 HE1 MET A 33 -16.551 -6.679 -2.732 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.857 -5.956 -1.261 1.00 0.00 H new ATOM 0 HE3 MET A 33 -15.429 -5.303 -2.860 1.00 0.00 H new ATOM 500 N VAL A 34 -10.929 -3.203 -0.668 1.00 0.00 N ATOM 501 CA VAL A 34 -10.554 -1.749 -0.576 1.00 0.00 C ATOM 502 C VAL A 34 -10.910 -1.014 -1.872 1.00 0.00 C ATOM 503 O VAL A 34 -11.180 -1.616 -2.892 1.00 0.00 O ATOM 504 CB VAL A 34 -9.051 -1.640 -0.312 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.769 -2.064 1.129 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.289 -2.566 -1.264 1.00 0.00 C ATOM 0 H VAL A 34 -10.618 -3.674 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.110 -1.288 0.240 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.727 -0.612 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.700 -1.990 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.311 -1.411 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.095 -3.094 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.219 -2.485 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.609 -3.596 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.496 -2.278 -2.295 1.00 0.00 H new ATOM 516 N TRP A 35 -10.926 0.295 -1.829 1.00 0.00 N ATOM 517 CA TRP A 35 -11.278 1.084 -3.045 1.00 0.00 C ATOM 518 C TRP A 35 -10.131 1.022 -4.050 1.00 0.00 C ATOM 519 O TRP A 35 -8.989 1.275 -3.721 1.00 0.00 O ATOM 520 CB TRP A 35 -11.500 2.552 -2.670 1.00 0.00 C ATOM 521 CG TRP A 35 -12.703 2.697 -1.795 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.684 2.713 -0.442 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.095 2.862 -2.186 1.00 0.00 C ATOM 524 NE1 TRP A 35 -13.973 2.885 0.022 1.00 0.00 N ATOM 525 CE2 TRP A 35 -14.881 2.979 -1.016 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.745 2.920 -3.430 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.264 3.151 -1.079 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.137 3.091 -3.498 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.895 3.206 -2.324 1.00 0.00 C ATOM 0 H TRP A 35 -10.710 0.851 -1.001 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.186 0.665 -3.478 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.621 2.938 -2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.627 3.148 -3.574 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -11.804 2.608 0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.224 2.936 1.009 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.170 2.832 -4.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -16.843 3.241 -0.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.626 3.134 -4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.965 3.337 -2.382 1.00 0.00 H new ATOM 540 N SER A 36 -10.425 0.709 -5.280 1.00 0.00 N ATOM 541 CA SER A 36 -9.350 0.659 -6.306 1.00 0.00 C ATOM 542 C SER A 36 -8.878 2.089 -6.594 1.00 0.00 C ATOM 543 O SER A 36 -9.631 3.035 -6.460 1.00 0.00 O ATOM 544 CB SER A 36 -9.898 0.022 -7.584 1.00 0.00 C ATOM 545 OG SER A 36 -10.909 0.860 -8.130 1.00 0.00 O ATOM 0 H SER A 36 -11.361 0.486 -5.618 1.00 0.00 H new ATOM 0 HA SER A 36 -8.512 0.063 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.095 -0.118 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.306 -0.965 -7.366 1.00 0.00 H new ATOM 0 HG SER A 36 -11.261 0.456 -8.950 1.00 0.00 H new ATOM 551 N ILE A 37 -7.640 2.259 -6.983 1.00 0.00 N ATOM 552 CA ILE A 37 -7.116 3.634 -7.280 1.00 0.00 C ATOM 553 C ILE A 37 -6.234 3.583 -8.530 1.00 0.00 C ATOM 554 O ILE A 37 -5.833 2.525 -8.975 1.00 0.00 O ATOM 555 CB ILE A 37 -6.278 4.135 -6.092 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.219 3.082 -5.722 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.190 4.388 -4.885 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.118 3.728 -4.875 1.00 0.00 C ATOM 0 H ILE A 37 -6.965 1.505 -7.109 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.954 4.311 -7.447 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.782 5.064 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.683 2.265 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.789 2.652 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.592 4.743 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.935 5.140 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.691 3.461 -4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.371 2.978 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.646 4.530 -5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.553 4.137 -3.963 1.00 0.00 H new ATOM 570 N ASN A 38 -5.906 4.717 -9.087 1.00 0.00 N ATOM 571 CA ASN A 38 -5.023 4.728 -10.292 1.00 0.00 C ATOM 572 C ASN A 38 -3.572 4.711 -9.811 1.00 0.00 C ATOM 573 O ASN A 38 -3.152 5.572 -9.063 1.00 0.00 O ATOM 574 CB ASN A 38 -5.276 5.999 -11.109 1.00 0.00 C ATOM 575 CG ASN A 38 -4.450 5.961 -12.400 1.00 0.00 C ATOM 576 OD1 ASN A 38 -4.062 4.813 -12.887 1.00 0.00 O flip ATOM 577 ND2 ASN A 38 -4.152 6.990 -12.970 1.00 0.00 N flip ATOM 0 H ASN A 38 -6.209 5.635 -8.762 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.229 3.861 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.336 6.084 -11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.010 6.878 -10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.454 7.888 -12.592 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.600 6.957 -13.827 1.00 0.00 H new ATOM 584 N LEU A 39 -2.805 3.734 -10.211 1.00 0.00 N ATOM 585 CA LEU A 39 -1.390 3.675 -9.742 1.00 0.00 C ATOM 586 C LEU A 39 -0.547 4.663 -10.554 1.00 0.00 C ATOM 587 O LEU A 39 -0.367 4.511 -11.746 1.00 0.00 O ATOM 588 CB LEU A 39 -0.833 2.253 -9.927 1.00 0.00 C ATOM 589 CG LEU A 39 -1.464 1.264 -8.921 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.995 1.561 -7.490 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.990 1.346 -8.987 1.00 0.00 C ATOM 0 H LEU A 39 -3.092 2.981 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.351 3.938 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.029 1.914 -10.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.249 2.265 -9.797 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.142 0.258 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.454 0.851 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.090 1.469 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.288 2.574 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.423 0.645 -8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.311 2.358 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.325 1.094 -9.993 1.00 0.00 H new ATOM 603 N THR A 40 -0.037 5.687 -9.915 1.00 0.00 N ATOM 604 CA THR A 40 0.786 6.701 -10.639 1.00 0.00 C ATOM 605 C THR A 40 1.916 7.204 -9.731 1.00 0.00 C ATOM 606 O THR A 40 2.931 6.554 -9.581 1.00 0.00 O ATOM 607 CB THR A 40 -0.116 7.871 -11.036 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.690 8.437 -9.867 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.229 7.366 -11.955 1.00 0.00 C ATOM 0 H THR A 40 -0.157 5.864 -8.918 1.00 0.00 H new ATOM 0 HA THR A 40 1.226 6.251 -11.529 1.00 0.00 H new ATOM 0 HB THR A 40 0.472 8.626 -11.558 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.267 9.188 -10.117 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.873 8.199 -12.239 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.790 6.925 -12.850 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.819 6.613 -11.432 1.00 0.00 H new ATOM 617 N ALA A 41 1.751 8.363 -9.130 1.00 0.00 N ATOM 618 CA ALA A 41 2.817 8.927 -8.233 1.00 0.00 C ATOM 619 C ALA A 41 2.293 9.014 -6.796 1.00 0.00 C ATOM 620 O ALA A 41 2.890 8.489 -5.879 1.00 0.00 O ATOM 621 CB ALA A 41 3.196 10.327 -8.722 1.00 0.00 C ATOM 0 H ALA A 41 0.919 8.946 -9.223 1.00 0.00 H new ATOM 0 HA ALA A 41 3.692 8.278 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.969 10.741 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.572 10.266 -9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.317 10.972 -8.696 1.00 0.00 H new ATOM 627 N GLY A 42 1.183 9.668 -6.591 1.00 0.00 N ATOM 628 CA GLY A 42 0.626 9.778 -5.209 1.00 0.00 C ATOM 629 C GLY A 42 0.084 8.415 -4.770 1.00 0.00 C ATOM 630 O GLY A 42 -0.899 8.325 -4.064 1.00 0.00 O ATOM 0 H GLY A 42 0.637 10.131 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.400 10.114 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.169 10.523 -5.184 1.00 0.00 H new ATOM 634 N MET A 43 0.708 7.354 -5.206 1.00 0.00 N ATOM 635 CA MET A 43 0.227 5.991 -4.841 1.00 0.00 C ATOM 636 C MET A 43 0.330 5.752 -3.330 1.00 0.00 C ATOM 637 O MET A 43 -0.539 5.148 -2.733 1.00 0.00 O ATOM 638 CB MET A 43 1.093 4.958 -5.559 1.00 0.00 C ATOM 639 CG MET A 43 0.996 5.193 -7.062 1.00 0.00 C ATOM 640 SD MET A 43 1.761 3.816 -7.956 1.00 0.00 S ATOM 641 CE MET A 43 3.410 3.930 -7.218 1.00 0.00 C ATOM 0 H MET A 43 1.535 7.373 -5.803 1.00 0.00 H new ATOM 0 HA MET A 43 -0.818 5.901 -5.137 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.129 5.041 -5.230 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.760 3.950 -5.313 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.049 5.292 -7.356 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.491 6.128 -7.325 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.151 3.552 -7.922 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.632 4.971 -6.982 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.442 3.336 -6.305 1.00 0.00 H new ATOM 651 N TYR A 44 1.394 6.185 -2.710 1.00 0.00 N ATOM 652 CA TYR A 44 1.545 5.935 -1.247 1.00 0.00 C ATOM 653 C TYR A 44 0.407 6.585 -0.463 1.00 0.00 C ATOM 654 O TYR A 44 -0.250 5.947 0.336 1.00 0.00 O ATOM 655 CB TYR A 44 2.866 6.518 -0.754 1.00 0.00 C ATOM 656 CG TYR A 44 4.015 5.725 -1.323 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.504 4.605 -0.639 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.593 6.116 -2.532 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.575 3.875 -1.170 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.663 5.387 -3.063 1.00 0.00 C ATOM 661 CZ TYR A 44 6.154 4.266 -2.382 1.00 0.00 C ATOM 662 OH TYR A 44 7.209 3.548 -2.905 1.00 0.00 O ATOM 0 H TYR A 44 2.160 6.697 -3.148 1.00 0.00 H new ATOM 0 HA TYR A 44 1.524 4.857 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.948 7.563 -1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.900 6.496 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.056 4.305 0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.215 6.981 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.954 3.011 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.110 5.689 -3.998 1.00 0.00 H new ATOM 0 HH TYR A 44 7.492 3.953 -3.751 1.00 0.00 H new ATOM 672 N CYS A 45 0.171 7.848 -0.673 1.00 0.00 N ATOM 673 CA CYS A 45 -0.919 8.526 0.076 1.00 0.00 C ATOM 674 C CYS A 45 -2.270 7.980 -0.388 1.00 0.00 C ATOM 675 O CYS A 45 -3.128 7.664 0.412 1.00 0.00 O ATOM 676 CB CYS A 45 -0.845 10.033 -0.165 1.00 0.00 C ATOM 677 SG CYS A 45 0.570 10.711 0.745 1.00 0.00 S ATOM 0 H CYS A 45 0.684 8.438 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.807 8.335 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.740 10.239 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.768 10.512 0.163 1.00 0.00 H new ATOM 682 N ALA A 46 -2.465 7.853 -1.675 1.00 0.00 N ATOM 683 CA ALA A 46 -3.761 7.319 -2.175 1.00 0.00 C ATOM 684 C ALA A 46 -3.962 5.915 -1.605 1.00 0.00 C ATOM 685 O ALA A 46 -5.025 5.568 -1.128 1.00 0.00 O ATOM 686 CB ALA A 46 -3.737 7.252 -3.707 1.00 0.00 C ATOM 0 H ALA A 46 -1.785 8.095 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.577 7.971 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.688 6.860 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.578 8.251 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.928 6.597 -4.030 1.00 0.00 H new ATOM 692 N ALA A 47 -2.943 5.107 -1.634 1.00 0.00 N ATOM 693 CA ALA A 47 -3.076 3.737 -1.077 1.00 0.00 C ATOM 694 C ALA A 47 -3.356 3.817 0.430 1.00 0.00 C ATOM 695 O ALA A 47 -4.122 3.044 0.971 1.00 0.00 O ATOM 696 CB ALA A 47 -1.779 2.956 -1.315 1.00 0.00 C ATOM 0 H ALA A 47 -2.026 5.335 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.902 3.227 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.879 1.951 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.583 2.894 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.951 3.467 -0.824 1.00 0.00 H new ATOM 702 N LEU A 48 -2.716 4.729 1.113 1.00 0.00 N ATOM 703 CA LEU A 48 -2.915 4.847 2.589 1.00 0.00 C ATOM 704 C LEU A 48 -4.384 5.140 2.928 1.00 0.00 C ATOM 705 O LEU A 48 -4.968 4.491 3.770 1.00 0.00 O ATOM 706 CB LEU A 48 -2.016 5.967 3.132 1.00 0.00 C ATOM 707 CG LEU A 48 -2.186 6.126 4.653 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.758 4.844 5.383 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.303 7.284 5.123 1.00 0.00 C ATOM 0 H LEU A 48 -2.061 5.400 0.711 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.647 3.899 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.974 5.745 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.260 6.906 2.636 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.235 6.323 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.886 4.977 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.373 4.010 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.711 4.634 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.412 7.410 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.261 7.067 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.606 8.201 4.618 1.00 0.00 H new ATOM 721 N GLU A 49 -4.990 6.115 2.301 1.00 0.00 N ATOM 722 CA GLU A 49 -6.413 6.419 2.638 1.00 0.00 C ATOM 723 C GLU A 49 -7.270 5.181 2.393 1.00 0.00 C ATOM 724 O GLU A 49 -8.159 4.873 3.161 1.00 0.00 O ATOM 725 CB GLU A 49 -6.929 7.586 1.789 1.00 0.00 C ATOM 726 CG GLU A 49 -6.539 7.380 0.326 1.00 0.00 C ATOM 727 CD GLU A 49 -7.153 8.491 -0.522 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.368 8.524 -0.627 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.400 9.289 -1.054 1.00 0.00 O ATOM 0 H GLU A 49 -4.570 6.705 1.582 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.474 6.702 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.013 7.660 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.514 8.525 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.454 7.386 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.887 6.407 -0.021 1.00 0.00 H new ATOM 736 N SER A 50 -7.013 4.463 1.335 1.00 0.00 N ATOM 737 CA SER A 50 -7.820 3.245 1.065 1.00 0.00 C ATOM 738 C SER A 50 -7.584 2.230 2.189 1.00 0.00 C ATOM 739 O SER A 50 -8.496 1.572 2.651 1.00 0.00 O ATOM 740 CB SER A 50 -7.399 2.649 -0.278 1.00 0.00 C ATOM 741 OG SER A 50 -7.792 3.533 -1.322 1.00 0.00 O ATOM 0 H SER A 50 -6.284 4.666 0.651 1.00 0.00 H new ATOM 0 HA SER A 50 -8.879 3.498 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.320 2.497 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.862 1.672 -0.418 1.00 0.00 H new ATOM 0 HG SER A 50 -7.524 3.158 -2.187 1.00 0.00 H new ATOM 747 N LEU A 51 -6.366 2.111 2.637 1.00 0.00 N ATOM 748 CA LEU A 51 -6.057 1.153 3.736 1.00 0.00 C ATOM 749 C LEU A 51 -6.659 1.648 5.058 1.00 0.00 C ATOM 750 O LEU A 51 -7.050 0.865 5.901 1.00 0.00 O ATOM 751 CB LEU A 51 -4.540 1.028 3.876 1.00 0.00 C ATOM 752 CG LEU A 51 -3.977 0.280 2.660 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.451 0.366 2.680 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.429 -1.201 2.678 1.00 0.00 C ATOM 0 H LEU A 51 -5.566 2.639 2.288 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.489 0.181 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.088 2.017 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.291 0.494 4.793 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.356 0.741 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.045 -0.164 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.145 1.411 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.073 -0.088 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.021 -1.717 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.067 -1.681 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.518 -1.250 2.651 1.00 0.00 H new ATOM 766 N ILE A 52 -6.736 2.937 5.246 1.00 0.00 N ATOM 767 CA ILE A 52 -7.308 3.479 6.513 1.00 0.00 C ATOM 768 C ILE A 52 -8.715 2.902 6.716 1.00 0.00 C ATOM 769 O ILE A 52 -9.220 2.850 7.820 1.00 0.00 O ATOM 770 CB ILE A 52 -7.376 5.018 6.422 1.00 0.00 C ATOM 771 CG1 ILE A 52 -5.965 5.628 6.570 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.297 5.589 7.508 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.526 5.698 8.046 1.00 0.00 C ATOM 0 H ILE A 52 -6.427 3.641 4.575 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.679 3.198 7.358 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.781 5.279 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.249 5.031 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.954 6.629 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.329 6.675 7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.302 5.186 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.916 5.312 8.491 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.528 6.133 8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.227 6.317 8.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.511 4.694 8.469 1.00 0.00 H new ATOM 785 N ASN A 53 -9.353 2.474 5.662 1.00 0.00 N ATOM 786 CA ASN A 53 -10.727 1.914 5.801 1.00 0.00 C ATOM 787 C ASN A 53 -10.645 0.467 6.295 1.00 0.00 C ATOM 788 O ASN A 53 -11.621 -0.101 6.740 1.00 0.00 O ATOM 789 CB ASN A 53 -11.422 1.941 4.437 1.00 0.00 C ATOM 790 CG ASN A 53 -11.728 3.388 4.048 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.131 3.923 3.136 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.642 4.049 4.703 1.00 0.00 N ATOM 0 H ASN A 53 -8.983 2.488 4.712 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.292 2.511 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.785 1.478 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.344 1.361 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.854 5.014 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.144 3.601 5.469 1.00 0.00 H new ATOM 799 N VAL A 54 -9.485 -0.133 6.227 1.00 0.00 N ATOM 800 CA VAL A 54 -9.342 -1.543 6.702 1.00 0.00 C ATOM 801 C VAL A 54 -8.884 -1.552 8.162 1.00 0.00 C ATOM 802 O VAL A 54 -7.849 -1.013 8.502 1.00 0.00 O ATOM 803 CB VAL A 54 -8.313 -2.275 5.848 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.236 -3.734 6.300 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.736 -2.215 4.378 1.00 0.00 C ATOM 0 H VAL A 54 -8.631 0.291 5.864 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.306 -2.045 6.618 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.337 -1.804 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.502 -4.264 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.939 -3.775 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.212 -4.204 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.001 -2.738 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.710 -2.690 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.799 -1.174 4.060 1.00 0.00 H new ATOM 815 N SER A 55 -9.650 -2.170 9.027 1.00 0.00 N ATOM 816 CA SER A 55 -9.281 -2.237 10.480 1.00 0.00 C ATOM 817 C SER A 55 -9.363 -3.691 10.957 1.00 0.00 C ATOM 818 O SER A 55 -10.133 -4.479 10.444 1.00 0.00 O ATOM 819 CB SER A 55 -10.253 -1.382 11.295 1.00 0.00 C ATOM 820 OG SER A 55 -10.074 -0.013 10.956 1.00 0.00 O ATOM 0 H SER A 55 -10.525 -2.637 8.788 1.00 0.00 H new ATOM 0 HA SER A 55 -8.266 -1.862 10.615 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.280 -1.687 11.094 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.080 -1.530 12.361 1.00 0.00 H new ATOM 0 HG SER A 55 -10.697 0.537 11.476 1.00 0.00 H new ATOM 826 N GLY A 56 -8.580 -4.049 11.944 1.00 0.00 N ATOM 827 CA GLY A 56 -8.611 -5.449 12.472 1.00 0.00 C ATOM 828 C GLY A 56 -7.546 -6.305 11.781 1.00 0.00 C ATOM 829 O GLY A 56 -7.272 -7.414 12.193 1.00 0.00 O ATOM 0 H GLY A 56 -7.917 -3.429 12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.439 -5.442 13.548 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.597 -5.884 12.310 1.00 0.00 H new ATOM 833 N CYS A 57 -6.932 -5.803 10.741 1.00 0.00 N ATOM 834 CA CYS A 57 -5.874 -6.597 10.040 1.00 0.00 C ATOM 835 C CYS A 57 -4.503 -6.217 10.611 1.00 0.00 C ATOM 836 O CYS A 57 -3.856 -5.297 10.152 1.00 0.00 O ATOM 837 CB CYS A 57 -5.911 -6.295 8.538 1.00 0.00 C ATOM 838 SG CYS A 57 -7.501 -6.825 7.852 1.00 0.00 S ATOM 0 H CYS A 57 -7.115 -4.881 10.346 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.052 -7.661 10.192 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.767 -5.228 8.368 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.095 -6.811 8.033 1.00 0.00 H new ATOM 843 N SER A 58 -4.063 -6.924 11.619 1.00 0.00 N ATOM 844 CA SER A 58 -2.740 -6.625 12.242 1.00 0.00 C ATOM 845 C SER A 58 -1.620 -7.017 11.280 1.00 0.00 C ATOM 846 O SER A 58 -0.530 -6.491 11.329 1.00 0.00 O ATOM 847 CB SER A 58 -2.602 -7.422 13.541 1.00 0.00 C ATOM 848 OG SER A 58 -1.399 -7.051 14.198 1.00 0.00 O ATOM 0 H SER A 58 -4.569 -7.703 12.041 1.00 0.00 H new ATOM 0 HA SER A 58 -2.671 -5.559 12.458 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.457 -7.231 14.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.597 -8.491 13.326 1.00 0.00 H new ATOM 0 HG SER A 58 -1.311 -7.560 15.031 1.00 0.00 H new ATOM 854 N ALA A 59 -1.879 -7.948 10.415 1.00 0.00 N ATOM 855 CA ALA A 59 -0.834 -8.390 9.453 1.00 0.00 C ATOM 856 C ALA A 59 -0.288 -7.188 8.671 1.00 0.00 C ATOM 857 O ALA A 59 0.894 -7.109 8.396 1.00 0.00 O ATOM 858 CB ALA A 59 -1.447 -9.398 8.480 1.00 0.00 C ATOM 0 H ALA A 59 -2.775 -8.427 10.330 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.013 -8.853 10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.688 -9.727 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.822 -10.258 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.269 -8.928 7.939 1.00 0.00 H new ATOM 864 N ILE A 60 -1.138 -6.263 8.285 1.00 0.00 N ATOM 865 CA ILE A 60 -0.666 -5.078 7.491 1.00 0.00 C ATOM 866 C ILE A 60 -0.492 -3.834 8.375 1.00 0.00 C ATOM 867 O ILE A 60 -0.255 -2.753 7.874 1.00 0.00 O ATOM 868 CB ILE A 60 -1.687 -4.768 6.387 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.054 -4.447 7.009 1.00 0.00 C ATOM 870 CG2 ILE A 60 -1.827 -5.971 5.455 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.036 -4.053 5.905 1.00 0.00 C ATOM 0 H ILE A 60 -2.138 -6.277 8.485 1.00 0.00 H new ATOM 0 HA ILE A 60 0.303 -5.328 7.060 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.337 -3.906 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.430 -5.313 7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.956 -3.635 7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.553 -5.744 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.862 -6.193 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.166 -6.836 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.007 -3.825 6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.660 -3.175 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.142 -4.878 5.201 1.00 0.00 H new ATOM 883 N GLU A 61 -0.595 -3.947 9.672 1.00 0.00 N ATOM 884 CA GLU A 61 -0.416 -2.723 10.508 1.00 0.00 C ATOM 885 C GLU A 61 0.980 -2.168 10.243 1.00 0.00 C ATOM 886 O GLU A 61 1.181 -0.979 10.099 1.00 0.00 O ATOM 887 CB GLU A 61 -0.551 -3.073 11.998 1.00 0.00 C ATOM 888 CG GLU A 61 0.655 -3.910 12.447 1.00 0.00 C ATOM 889 CD GLU A 61 0.370 -4.550 13.806 1.00 0.00 C ATOM 890 OE1 GLU A 61 -0.488 -4.045 14.511 1.00 0.00 O ATOM 891 OE2 GLU A 61 1.018 -5.535 14.120 1.00 0.00 O ATOM 0 H GLU A 61 -0.790 -4.810 10.180 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.178 -1.986 10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.613 -2.161 12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.474 -3.627 12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.867 -4.683 11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.542 -3.280 12.511 1.00 0.00 H new ATOM 898 N LYS A 62 1.943 -3.039 10.170 1.00 0.00 N ATOM 899 CA LYS A 62 3.336 -2.590 9.908 1.00 0.00 C ATOM 900 C LYS A 62 3.391 -1.879 8.564 1.00 0.00 C ATOM 901 O LYS A 62 4.051 -0.870 8.405 1.00 0.00 O ATOM 902 CB LYS A 62 4.249 -3.808 9.863 1.00 0.00 C ATOM 903 CG LYS A 62 4.343 -4.402 11.262 1.00 0.00 C ATOM 904 CD LYS A 62 5.267 -5.616 11.241 1.00 0.00 C ATOM 905 CE LYS A 62 5.353 -6.201 12.649 1.00 0.00 C ATOM 906 NZ LYS A 62 5.979 -5.203 13.560 1.00 0.00 N ATOM 0 H LYS A 62 1.826 -4.046 10.281 1.00 0.00 H new ATOM 0 HA LYS A 62 3.659 -1.911 10.697 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.858 -4.548 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.239 -3.525 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.722 -3.656 11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.352 -4.692 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.889 -6.365 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.259 -5.328 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.358 -6.463 13.007 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.940 -7.119 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.377 -5.690 14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.738 -4.701 13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.260 -4.520 13.873 1.00 0.00 H new ATOM 920 N THR A 63 2.700 -2.404 7.596 1.00 0.00 N ATOM 921 CA THR A 63 2.692 -1.778 6.252 1.00 0.00 C ATOM 922 C THR A 63 2.154 -0.356 6.349 1.00 0.00 C ATOM 923 O THR A 63 2.641 0.549 5.704 1.00 0.00 O ATOM 924 CB THR A 63 1.799 -2.598 5.324 1.00 0.00 C ATOM 925 OG1 THR A 63 2.303 -3.922 5.233 1.00 0.00 O ATOM 926 CG2 THR A 63 1.766 -1.959 3.938 1.00 0.00 C ATOM 0 H THR A 63 2.135 -3.249 7.681 1.00 0.00 H new ATOM 0 HA THR A 63 3.708 -1.750 5.857 1.00 0.00 H new ATOM 0 HB THR A 63 0.786 -2.623 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.730 -4.450 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.127 -2.549 3.281 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.372 -0.946 4.014 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.776 -1.926 3.529 1.00 0.00 H new ATOM 934 N GLN A 64 1.142 -0.156 7.142 1.00 0.00 N ATOM 935 CA GLN A 64 0.565 1.206 7.261 1.00 0.00 C ATOM 936 C GLN A 64 1.624 2.177 7.775 1.00 0.00 C ATOM 937 O GLN A 64 1.714 3.303 7.325 1.00 0.00 O ATOM 938 CB GLN A 64 -0.610 1.172 8.238 1.00 0.00 C ATOM 939 CG GLN A 64 -1.770 0.407 7.604 1.00 0.00 C ATOM 940 CD GLN A 64 -2.921 0.300 8.604 1.00 0.00 C ATOM 941 OE1 GLN A 64 -2.723 0.434 9.796 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.127 0.062 8.167 1.00 0.00 N ATOM 0 H GLN A 64 0.692 -0.874 7.710 1.00 0.00 H new ATOM 0 HA GLN A 64 0.222 1.538 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.309 0.693 9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.921 2.187 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.105 0.918 6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.442 -0.588 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.294 -0.051 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.903 -0.011 8.825 1.00 0.00 H new ATOM 951 N ARG A 65 2.420 1.766 8.718 1.00 0.00 N ATOM 952 CA ARG A 65 3.459 2.683 9.255 1.00 0.00 C ATOM 953 C ARG A 65 4.471 3.020 8.162 1.00 0.00 C ATOM 954 O ARG A 65 4.803 4.167 7.938 1.00 0.00 O ATOM 955 CB ARG A 65 4.177 2.004 10.415 1.00 0.00 C ATOM 956 CG ARG A 65 3.224 1.885 11.601 1.00 0.00 C ATOM 957 CD ARG A 65 3.991 1.326 12.793 1.00 0.00 C ATOM 958 NE ARG A 65 4.589 0.016 12.417 1.00 0.00 N ATOM 959 CZ ARG A 65 5.541 -0.493 13.142 1.00 0.00 C ATOM 960 NH1 ARG A 65 5.950 0.135 14.209 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.083 -1.627 12.800 1.00 0.00 N ATOM 0 H ARG A 65 2.397 0.837 9.139 1.00 0.00 H new ATOM 0 HA ARG A 65 2.985 3.602 9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.525 1.016 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.058 2.580 10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.803 2.860 11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.389 1.232 11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.772 2.022 13.097 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.323 1.204 13.646 1.00 0.00 H new ATOM 0 HE ARG A 65 4.253 -0.481 11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.523 1.023 14.473 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.697 -0.262 14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.761 -2.115 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.830 -2.027 13.368 1.00 0.00 H new ATOM 975 N MET A 66 4.968 2.024 7.482 1.00 0.00 N ATOM 976 CA MET A 66 5.964 2.277 6.407 1.00 0.00 C ATOM 977 C MET A 66 5.345 3.164 5.326 1.00 0.00 C ATOM 978 O MET A 66 5.985 4.051 4.803 1.00 0.00 O ATOM 979 CB MET A 66 6.413 0.944 5.800 1.00 0.00 C ATOM 980 CG MET A 66 7.285 0.180 6.808 1.00 0.00 C ATOM 981 SD MET A 66 8.142 -1.181 5.972 1.00 0.00 S ATOM 982 CE MET A 66 6.773 -2.362 5.961 1.00 0.00 C ATOM 0 H MET A 66 4.726 1.044 7.626 1.00 0.00 H new ATOM 0 HA MET A 66 6.830 2.787 6.828 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.543 0.345 5.531 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.973 1.122 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.011 0.856 7.260 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.666 -0.210 7.616 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.032 -3.213 5.331 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.583 -2.708 6.977 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.878 -1.878 5.569 1.00 0.00 H new ATOM 992 N LEU A 67 4.106 2.935 4.985 1.00 0.00 N ATOM 993 CA LEU A 67 3.459 3.779 3.936 1.00 0.00 C ATOM 994 C LEU A 67 3.396 5.235 4.418 1.00 0.00 C ATOM 995 O LEU A 67 3.583 6.158 3.649 1.00 0.00 O ATOM 996 CB LEU A 67 2.042 3.270 3.646 1.00 0.00 C ATOM 997 CG LEU A 67 2.089 1.913 2.919 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.677 1.329 2.874 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.601 2.082 1.475 1.00 0.00 C ATOM 0 H LEU A 67 3.515 2.205 5.384 1.00 0.00 H new ATOM 0 HA LEU A 67 4.048 3.722 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.488 3.169 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.507 3.997 3.035 1.00 0.00 H new ATOM 0 HG LEU A 67 2.766 1.250 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.697 0.367 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.308 1.191 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.018 2.012 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.626 1.110 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.935 2.750 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.605 2.506 1.492 1.00 0.00 H new ATOM 1011 N SER A 68 3.134 5.455 5.683 1.00 0.00 N ATOM 1012 CA SER A 68 3.064 6.857 6.190 1.00 0.00 C ATOM 1013 C SER A 68 4.397 7.549 5.917 1.00 0.00 C ATOM 1014 O SER A 68 4.444 8.712 5.571 1.00 0.00 O ATOM 1015 CB SER A 68 2.786 6.861 7.696 1.00 0.00 C ATOM 1016 OG SER A 68 1.509 6.289 7.940 1.00 0.00 O ATOM 0 H SER A 68 2.967 4.730 6.380 1.00 0.00 H new ATOM 0 HA SER A 68 2.257 7.385 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.556 6.296 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.820 7.880 8.081 1.00 0.00 H new ATOM 0 HG SER A 68 1.539 5.328 7.750 1.00 0.00 H new ATOM 1022 N GLY A 69 5.481 6.842 6.066 1.00 0.00 N ATOM 1023 CA GLY A 69 6.810 7.461 5.806 1.00 0.00 C ATOM 1024 C GLY A 69 6.794 8.121 4.426 1.00 0.00 C ATOM 1025 O GLY A 69 7.476 9.097 4.181 1.00 0.00 O ATOM 0 H GLY A 69 5.505 5.864 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.037 8.201 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.593 6.704 5.852 1.00 0.00 H new ATOM 1029 N PHE A 70 6.015 7.592 3.521 1.00 0.00 N ATOM 1030 CA PHE A 70 5.938 8.175 2.147 1.00 0.00 C ATOM 1031 C PHE A 70 4.746 9.134 2.072 1.00 0.00 C ATOM 1032 O PHE A 70 4.450 9.692 1.033 1.00 0.00 O ATOM 1033 CB PHE A 70 5.735 7.048 1.136 1.00 0.00 C ATOM 1034 CG PHE A 70 6.965 6.176 1.070 1.00 0.00 C ATOM 1035 CD1 PHE A 70 7.075 5.069 1.918 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.988 6.465 0.159 1.00 0.00 C ATOM 1037 CE1 PHE A 70 8.206 4.248 1.859 1.00 0.00 C ATOM 1038 CE2 PHE A 70 9.120 5.642 0.097 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.229 4.533 0.948 1.00 0.00 C ATOM 0 H PHE A 70 5.424 6.775 3.674 1.00 0.00 H new ATOM 0 HA PHE A 70 6.859 8.713 1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.870 6.448 1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.524 7.467 0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.285 4.848 2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.905 7.321 -0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.290 3.395 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.909 5.862 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.102 3.899 0.900 1.00 0.00 H new ATOM 1049 N CYS A 71 4.053 9.320 3.168 1.00 0.00 N ATOM 1050 CA CYS A 71 2.865 10.234 3.184 1.00 0.00 C ATOM 1051 C CYS A 71 2.974 11.170 4.406 1.00 0.00 C ATOM 1052 O CYS A 71 2.309 10.969 5.403 1.00 0.00 O ATOM 1053 CB CYS A 71 1.595 9.377 3.280 1.00 0.00 C ATOM 1054 SG CYS A 71 0.162 10.317 2.686 1.00 0.00 S ATOM 0 H CYS A 71 4.260 8.874 4.062 1.00 0.00 H new ATOM 0 HA CYS A 71 2.826 10.837 2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.714 8.469 2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.434 9.067 4.312 1.00 0.00 H new ATOM 1059 N PRO A 72 3.825 12.178 4.338 1.00 0.00 N ATOM 1060 CA PRO A 72 4.019 13.127 5.478 1.00 0.00 C ATOM 1061 C PRO A 72 2.728 13.815 5.961 1.00 0.00 C ATOM 1062 O PRO A 72 2.787 14.847 6.599 1.00 0.00 O ATOM 1063 CB PRO A 72 5.011 14.152 4.892 1.00 0.00 C ATOM 1064 CG PRO A 72 5.588 13.567 3.593 1.00 0.00 C ATOM 1065 CD PRO A 72 4.657 12.439 3.127 1.00 0.00 C ATOM 0 HA PRO A 72 4.369 12.612 6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.508 15.098 4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.810 14.359 5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.664 14.339 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.595 13.185 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.048 12.742 2.275 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.215 11.554 2.821 1.00 0.00 H new ATOM 1073 N HIS A 73 1.571 13.255 5.691 1.00 0.00 N ATOM 1074 CA HIS A 73 0.295 13.890 6.174 1.00 0.00 C ATOM 1075 C HIS A 73 -0.604 12.822 6.795 1.00 0.00 C ATOM 1076 O HIS A 73 -0.712 11.715 6.301 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.422 14.619 5.016 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.287 13.683 4.210 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.608 13.424 4.546 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.048 12.983 3.056 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.112 12.605 3.604 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.201 12.301 2.674 1.00 0.00 N ATOM 0 H HIS A 73 1.452 12.392 5.161 1.00 0.00 H new ATOM 0 HA HIS A 73 0.530 14.634 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.036 15.424 5.419 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.319 15.080 4.363 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.106 13.788 5.358 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.108 12.963 2.524 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.128 12.238 3.600 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.236 13.151 7.888 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.120 12.169 8.574 1.00 0.00 C ATOM 1092 C LYS A 74 -3.486 12.117 7.899 1.00 0.00 C ATOM 1093 O LYS A 74 -3.980 13.106 7.395 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.301 12.577 10.034 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.969 12.439 10.763 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.144 12.848 12.226 1.00 0.00 C ATOM 1097 CE LYS A 74 0.193 12.707 12.956 1.00 0.00 C ATOM 1098 NZ LYS A 74 1.280 13.290 12.121 1.00 0.00 N ATOM 0 H LYS A 74 -1.177 14.065 8.338 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.656 11.184 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.658 13.605 10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.055 11.949 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.614 11.410 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.215 13.066 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.498 13.877 12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.899 12.222 12.702 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.148 13.215 13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.400 11.656 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.082 13.553 12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.593 12.589 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.925 14.136 11.631 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.105 10.965 7.906 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.455 10.815 7.286 1.00 0.00 C ATOM 1114 C VAL A 75 -6.364 10.038 8.243 1.00 0.00 C ATOM 1115 O VAL A 75 -6.002 9.002 8.767 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.317 10.086 5.940 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.377 8.886 6.085 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -6.693 9.608 5.455 1.00 0.00 C ATOM 0 H VAL A 75 -3.728 10.112 8.320 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.900 11.793 7.104 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.901 10.779 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.286 8.377 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.394 9.230 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.780 8.195 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.584 9.093 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.120 8.925 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.353 10.466 5.330 1.00 0.00 H new ATOM 1128 N SER A 76 -7.549 10.546 8.474 1.00 0.00 N ATOM 1129 CA SER A 76 -8.514 9.868 9.392 1.00 0.00 C ATOM 1130 C SER A 76 -9.579 9.153 8.560 1.00 0.00 C ATOM 1131 O SER A 76 -9.716 9.384 7.375 1.00 0.00 O ATOM 1132 CB SER A 76 -9.193 10.905 10.287 1.00 0.00 C ATOM 1133 OG SER A 76 -8.234 11.453 11.182 1.00 0.00 O ATOM 0 H SER A 76 -7.892 11.413 8.060 1.00 0.00 H new ATOM 0 HA SER A 76 -7.978 9.149 10.012 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.633 11.695 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.007 10.443 10.846 1.00 0.00 H new ATOM 0 HG SER A 76 -8.666 12.120 11.756 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.330 8.286 9.172 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.385 7.550 8.423 1.00 0.00 C ATOM 1141 C ALA A 77 -12.437 8.528 7.887 1.00 0.00 C ATOM 1142 O ALA A 77 -13.338 8.139 7.172 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.049 6.534 9.353 1.00 0.00 C ATOM 0 H ALA A 77 -10.260 8.053 10.163 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.929 7.032 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.822 5.993 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.301 5.830 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.498 7.054 10.199 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.336 9.792 8.227 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.336 10.797 7.735 1.00 0.00 C ATOM 1151 C GLY A 78 -12.712 11.655 6.630 1.00 0.00 C ATOM 1152 O GLY A 78 -13.405 12.222 5.808 1.00 0.00 O ATOM 0 H GLY A 78 -11.603 10.173 8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.221 10.287 7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.663 11.431 8.559 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.407 11.764 6.604 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.740 12.594 5.553 1.00 0.00 C ATOM 1158 C GLN A 79 -10.339 11.711 4.368 1.00 0.00 C ATOM 1159 O GLN A 79 -9.582 10.773 4.514 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.492 13.245 6.146 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.912 14.285 7.187 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.672 14.931 7.807 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.617 14.332 7.852 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.757 16.138 8.294 1.00 0.00 N ATOM 0 H GLN A 79 -10.774 11.314 7.265 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.431 13.363 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.857 12.488 6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.905 13.718 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.536 15.048 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.514 13.813 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.643 16.642 8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.937 16.578 8.712 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.842 12.011 3.194 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.500 11.200 1.979 1.00 0.00 C ATOM 1175 C PHE A 80 -10.066 12.139 0.852 1.00 0.00 C ATOM 1176 O PHE A 80 -10.537 13.253 0.756 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.730 10.406 1.550 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.032 9.367 2.603 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.213 8.237 2.725 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.129 9.532 3.457 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.492 7.273 3.701 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.409 8.567 4.432 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.590 7.438 4.555 1.00 0.00 C ATOM 0 H PHE A 80 -11.480 12.789 3.023 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.685 10.512 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.583 11.072 1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.553 9.927 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.367 8.110 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.759 10.404 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.861 6.402 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.257 8.693 5.089 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.805 6.694 5.308 1.00 0.00 H new ATOM 1193 N SER A 81 -9.151 11.703 0.008 1.00 0.00 N ATOM 1194 CA SER A 81 -8.659 12.575 -1.110 1.00 0.00 C ATOM 1195 C SER A 81 -8.880 11.910 -2.482 1.00 0.00 C ATOM 1196 O SER A 81 -9.068 12.590 -3.471 1.00 0.00 O ATOM 1197 CB SER A 81 -7.162 12.827 -0.910 1.00 0.00 C ATOM 1198 OG SER A 81 -6.950 13.395 0.378 1.00 0.00 O ATOM 0 H SER A 81 -8.725 10.777 0.048 1.00 0.00 H new ATOM 0 HA SER A 81 -9.218 13.511 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.608 11.893 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.788 13.499 -1.683 1.00 0.00 H new ATOM 0 HG SER A 81 -5.993 13.556 0.511 1.00 0.00 H new ATOM 1204 N SER A 82 -8.827 10.597 -2.560 1.00 0.00 N ATOM 1205 CA SER A 82 -9.000 9.900 -3.888 1.00 0.00 C ATOM 1206 C SER A 82 -10.304 9.093 -3.939 1.00 0.00 C ATOM 1207 O SER A 82 -10.622 8.490 -4.946 1.00 0.00 O ATOM 1208 CB SER A 82 -7.817 8.951 -4.099 1.00 0.00 C ATOM 1209 OG SER A 82 -7.834 8.457 -5.433 1.00 0.00 O ATOM 0 H SER A 82 -8.672 9.976 -1.765 1.00 0.00 H new ATOM 0 HA SER A 82 -9.041 10.657 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.880 9.473 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.872 8.122 -3.393 1.00 0.00 H new ATOM 0 HG SER A 82 -8.762 8.348 -5.730 1.00 0.00 H new ATOM 1215 N LEU A 83 -11.062 9.063 -2.881 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.335 8.279 -2.907 1.00 0.00 C ATOM 1217 C LEU A 83 -13.466 9.156 -3.458 1.00 0.00 C ATOM 1218 O LEU A 83 -14.627 8.915 -3.194 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.699 7.818 -1.488 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.555 7.009 -0.851 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.052 6.362 0.452 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -11.070 5.913 -1.813 1.00 0.00 C ATOM 0 H LEU A 83 -10.861 9.542 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.200 7.406 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.922 8.686 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.603 7.209 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.724 7.682 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.243 5.788 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.377 7.139 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -12.889 5.699 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.261 5.351 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.895 5.239 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.709 6.371 -2.734 1.00 0.00 H new ATOM 1234 N HIS A 84 -13.143 10.170 -4.222 1.00 0.00 N ATOM 1235 CA HIS A 84 -14.217 11.049 -4.782 1.00 0.00 C ATOM 1236 C HIS A 84 -14.916 10.320 -5.932 1.00 0.00 C ATOM 1237 O HIS A 84 -16.113 10.419 -6.114 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.615 12.349 -5.331 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.671 12.954 -4.331 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.758 12.695 -2.973 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.611 13.812 -4.482 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.774 13.384 -2.369 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.046 14.081 -3.242 1.00 0.00 N ATOM 0 H HIS A 84 -12.190 10.426 -4.481 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.924 11.283 -3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -13.087 12.147 -6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.411 13.056 -5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.268 14.217 -5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.595 13.374 -1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.247 14.682 -3.042 1.00 0.00 H new ATOM 1251 N VAL A 85 -14.165 9.600 -6.716 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.758 8.868 -7.870 1.00 0.00 C ATOM 1253 C VAL A 85 -15.505 7.637 -7.359 1.00 0.00 C ATOM 1254 O VAL A 85 -15.151 7.063 -6.349 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.633 8.427 -8.809 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -14.222 7.679 -10.010 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.862 9.659 -9.294 1.00 0.00 C ATOM 0 H VAL A 85 -13.157 9.486 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.452 9.517 -8.404 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.955 7.762 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.417 7.367 -10.675 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.765 6.801 -9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.904 8.336 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.060 9.346 -9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.540 10.326 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.437 10.182 -8.438 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.538 7.220 -8.045 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.298 6.022 -7.582 1.00 0.00 C ATOM 1269 C ARG A 86 -16.690 4.763 -8.198 1.00 0.00 C ATOM 1270 O ARG A 86 -17.287 4.108 -9.029 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.764 6.141 -8.013 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.453 7.243 -7.205 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.928 7.324 -7.611 1.00 0.00 C ATOM 1274 NE ARG A 86 -21.608 8.395 -6.828 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.756 8.871 -7.231 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -23.305 8.421 -8.327 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -23.353 9.804 -6.541 1.00 0.00 N ATOM 0 H ARG A 86 -16.886 7.654 -8.900 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.244 5.960 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.823 6.367 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.276 5.191 -7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.369 7.034 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.962 8.200 -7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.010 7.532 -8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.417 6.366 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.177 8.756 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.837 7.696 -8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -24.201 8.795 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.923 10.161 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -24.249 10.176 -6.855 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.507 4.412 -7.771 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.843 3.188 -8.297 1.00 0.00 C ATOM 1293 C ASP A 87 -15.378 1.974 -7.537 1.00 0.00 C ATOM 1294 O ASP A 87 -16.031 2.110 -6.521 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.330 3.301 -8.090 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.763 4.369 -9.028 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.336 4.563 -10.088 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.768 4.977 -8.672 1.00 0.00 O ATOM 0 H ASP A 87 -14.969 4.927 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.050 3.078 -9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.113 3.560 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.853 2.341 -8.285 1.00 0.00 H new ATOM 1303 N THR A 88 -15.113 0.787 -8.014 1.00 0.00 N ATOM 1304 CA THR A 88 -15.615 -0.429 -7.307 1.00 0.00 C ATOM 1305 C THR A 88 -14.541 -0.920 -6.336 1.00 0.00 C ATOM 1306 O THR A 88 -13.368 -0.647 -6.503 1.00 0.00 O ATOM 1307 CB THR A 88 -15.929 -1.528 -8.332 1.00 0.00 C ATOM 1308 OG1 THR A 88 -16.493 -2.649 -7.667 1.00 0.00 O ATOM 1309 CG2 THR A 88 -14.647 -1.955 -9.050 1.00 0.00 C ATOM 0 H THR A 88 -14.572 0.606 -8.860 1.00 0.00 H new ATOM 0 HA THR A 88 -16.524 -0.186 -6.756 1.00 0.00 H new ATOM 0 HB THR A 88 -16.638 -1.141 -9.064 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.695 -3.350 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.879 -2.735 -9.775 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.215 -1.097 -9.565 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.932 -2.338 -8.322 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.930 -1.639 -5.318 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.932 -2.143 -4.333 1.00 0.00 C ATOM 1319 C LYS A 89 -13.357 -3.465 -4.839 1.00 0.00 C ATOM 1320 O LYS A 89 -14.016 -4.203 -5.544 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.617 -2.378 -2.987 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.084 -1.048 -2.403 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.769 -1.298 -1.059 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.271 0.028 -0.488 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.199 -0.236 0.646 1.00 0.00 N ATOM 0 H LYS A 89 -15.897 -1.899 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.134 -1.410 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.467 -3.048 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.927 -2.865 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.235 -0.377 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.774 -0.558 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.602 -1.990 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.071 -1.764 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.429 0.632 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.781 0.599 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.540 0.667 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.008 -0.796 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.698 -0.764 1.389 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.131 -3.769 -4.488 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.494 -5.044 -4.950 1.00 0.00 C ATOM 1341 C ILE A 90 -10.918 -5.786 -3.745 1.00 0.00 C ATOM 1342 O ILE A 90 -10.712 -5.215 -2.694 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.371 -4.720 -5.943 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.402 -3.714 -5.305 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.975 -4.131 -7.221 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.279 -3.366 -6.287 1.00 0.00 C ATOM 0 H ILE A 90 -11.540 -3.185 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.239 -5.672 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.826 -5.630 -6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.940 -2.810 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.980 -4.134 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.178 -3.900 -7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.658 -4.854 -7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.520 -3.219 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.598 -2.652 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.732 -4.271 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.707 -2.927 -7.188 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.663 -7.059 -3.887 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.109 -7.836 -2.744 1.00 0.00 C ATOM 1360 C GLU A 91 -8.757 -7.254 -2.350 1.00 0.00 C ATOM 1361 O GLU A 91 -7.984 -6.838 -3.190 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.918 -9.300 -3.150 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.274 -9.942 -3.448 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.065 -11.404 -3.853 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -9.932 -11.769 -4.118 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.041 -12.137 -3.880 1.00 0.00 O ATOM 0 H GLU A 91 -10.814 -7.592 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.803 -7.779 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.276 -9.361 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.416 -9.845 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.917 -9.885 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.778 -9.400 -4.248 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.459 -7.219 -1.080 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.146 -6.665 -0.651 1.00 0.00 C ATOM 1375 C VAL A 92 -6.033 -7.475 -1.313 1.00 0.00 C ATOM 1376 O VAL A 92 -5.042 -6.938 -1.766 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.017 -6.767 0.875 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.577 -6.435 1.293 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.981 -5.777 1.542 1.00 0.00 C ATOM 0 H VAL A 92 -9.063 -7.548 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.071 -5.618 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.263 -7.781 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.487 -6.508 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.890 -7.139 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.330 -5.422 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.887 -5.852 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.737 -4.763 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.004 -6.012 1.249 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.195 -8.767 -1.373 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.158 -9.626 -2.005 1.00 0.00 C ATOM 1391 C ALA A 93 -4.798 -9.055 -3.377 1.00 0.00 C ATOM 1392 O ALA A 93 -3.642 -8.982 -3.751 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.718 -11.040 -2.165 1.00 0.00 C ATOM 0 H ALA A 93 -7.006 -9.267 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.264 -9.654 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.966 -11.679 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.981 -11.440 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.606 -11.010 -2.796 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.780 -8.638 -4.124 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.504 -8.061 -5.469 1.00 0.00 C ATOM 1401 C GLN A 94 -4.888 -6.671 -5.303 1.00 0.00 C ATOM 1402 O GLN A 94 -4.009 -6.275 -6.040 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.816 -7.958 -6.256 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.266 -9.359 -6.675 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.610 -9.283 -7.399 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.900 -8.312 -8.068 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -9.446 -10.283 -7.302 1.00 0.00 N ATOM 0 H GLN A 94 -6.765 -8.672 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.809 -8.702 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.584 -7.485 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.677 -7.330 -7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.518 -9.810 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.352 -10.000 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.202 -11.099 -6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.342 -10.248 -7.788 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.347 -5.930 -4.336 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.800 -4.564 -4.109 1.00 0.00 C ATOM 1418 C PHE A 95 -3.293 -4.629 -3.814 1.00 0.00 C ATOM 1419 O PHE A 95 -2.512 -3.893 -4.380 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.511 -3.943 -2.907 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.971 -2.558 -2.661 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.842 -2.387 -1.856 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.596 -1.447 -3.240 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.334 -1.106 -1.627 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.088 -0.163 -3.010 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.957 0.006 -2.203 1.00 0.00 C ATOM 0 H PHE A 95 -6.082 -6.213 -3.688 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.960 -3.964 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.585 -3.899 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.363 -4.564 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.362 -3.246 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.468 -1.580 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.461 -0.974 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.568 0.696 -3.455 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.565 0.996 -2.025 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.884 -5.487 -2.911 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.431 -5.579 -2.558 1.00 0.00 C ATOM 1438 C VAL A 96 -0.613 -6.023 -3.770 1.00 0.00 C ATOM 1439 O VAL A 96 0.423 -5.462 -4.071 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.243 -6.604 -1.435 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.246 -6.739 -1.099 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.001 -6.143 -0.193 1.00 0.00 C ATOM 0 H VAL A 96 -3.493 -6.128 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.090 -4.596 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.628 -7.569 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.374 -7.469 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.790 -7.070 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.635 -5.774 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.867 -6.872 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.616 -5.176 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.062 -6.051 -0.427 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.056 -7.040 -4.452 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.291 -7.540 -5.628 1.00 0.00 C ATOM 1454 C LYS A 97 -0.205 -6.462 -6.711 1.00 0.00 C ATOM 1455 O LYS A 97 0.839 -6.231 -7.282 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.998 -8.771 -6.188 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.948 -9.896 -5.149 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.714 -11.124 -5.664 1.00 0.00 C ATOM 1459 CE LYS A 97 -0.828 -11.949 -6.599 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.554 -13.193 -6.977 1.00 0.00 N ATOM 0 H LYS A 97 -1.916 -7.548 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 97 0.721 -7.797 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.033 -8.531 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.518 -9.092 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.088 -10.164 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.383 -9.554 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.038 -11.738 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.613 -10.805 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.580 -11.372 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.113 -12.196 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.960 -13.762 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.770 -13.743 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.440 -12.944 -7.461 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.283 -5.795 -7.011 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.215 -4.747 -8.069 1.00 0.00 C ATOM 1476 C ASP A 98 -0.212 -3.687 -7.634 1.00 0.00 C ATOM 1477 O ASP A 98 0.598 -3.213 -8.404 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.588 -4.097 -8.242 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.565 -5.113 -8.830 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.104 -6.121 -9.342 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.757 -4.869 -8.758 1.00 0.00 O ATOM 0 H ASP A 98 -2.197 -5.926 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.910 -5.195 -9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.955 -3.738 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.511 -3.230 -8.898 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.265 -3.327 -6.389 1.00 0.00 N ATOM 1487 CA LEU A 99 0.673 -2.312 -5.852 1.00 0.00 C ATOM 1488 C LEU A 99 2.107 -2.838 -5.976 1.00 0.00 C ATOM 1489 O LEU A 99 3.028 -2.109 -6.288 1.00 0.00 O ATOM 1490 CB LEU A 99 0.315 -2.057 -4.385 1.00 0.00 C ATOM 1491 CG LEU A 99 1.251 -1.016 -3.770 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.135 0.319 -4.526 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.859 -0.815 -2.304 1.00 0.00 C ATOM 0 H LEU A 99 -0.929 -3.699 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 99 0.598 -1.379 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.717 -1.713 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.381 -2.989 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 99 2.282 -1.364 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.807 1.051 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.406 0.170 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.109 0.683 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.517 -0.075 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.172 -0.467 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.952 -1.760 -1.769 1.00 0.00 H new ATOM 1505 N LEU A 100 2.299 -4.102 -5.717 1.00 0.00 N ATOM 1506 CA LEU A 100 3.664 -4.698 -5.795 1.00 0.00 C ATOM 1507 C LEU A 100 4.287 -4.443 -7.178 1.00 0.00 C ATOM 1508 O LEU A 100 5.440 -4.079 -7.280 1.00 0.00 O ATOM 1509 CB LEU A 100 3.555 -6.204 -5.505 1.00 0.00 C ATOM 1510 CG LEU A 100 4.876 -6.920 -5.794 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.024 -6.233 -5.049 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.765 -8.371 -5.317 1.00 0.00 C ATOM 0 H LEU A 100 1.561 -4.755 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 100 4.316 -4.233 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.276 -6.357 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.762 -6.638 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 100 5.078 -6.886 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.958 -6.752 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.101 -5.196 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.830 -6.261 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.701 -8.893 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.563 -8.387 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.952 -8.867 -5.847 1.00 0.00 H new ATOM 1524 N LEU A 101 3.560 -4.607 -8.247 1.00 0.00 N ATOM 1525 CA LEU A 101 4.183 -4.342 -9.581 1.00 0.00 C ATOM 1526 C LEU A 101 4.631 -2.874 -9.663 1.00 0.00 C ATOM 1527 O LEU A 101 5.694 -2.570 -10.165 1.00 0.00 O ATOM 1528 CB LEU A 101 3.179 -4.642 -10.705 1.00 0.00 C ATOM 1529 CG LEU A 101 3.150 -6.151 -11.006 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.477 -6.604 -11.659 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.916 -6.930 -9.708 1.00 0.00 C ATOM 0 H LEU A 101 2.585 -4.906 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 101 5.050 -4.991 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.185 -4.303 -10.414 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.453 -4.090 -11.604 1.00 0.00 H new ATOM 0 HG LEU A 101 2.337 -6.352 -11.703 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.435 -7.674 -11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.627 -6.062 -12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.305 -6.396 -10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.896 -7.998 -9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.722 -6.717 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.964 -6.630 -9.270 1.00 0.00 H new ATOM 1543 N HIS A 102 3.835 -1.964 -9.181 1.00 0.00 N ATOM 1544 CA HIS A 102 4.227 -0.524 -9.242 1.00 0.00 C ATOM 1545 C HIS A 102 5.400 -0.232 -8.300 1.00 0.00 C ATOM 1546 O HIS A 102 6.279 0.538 -8.624 1.00 0.00 O ATOM 1547 CB HIS A 102 3.025 0.356 -8.872 1.00 0.00 C ATOM 1548 CG HIS A 102 2.114 0.470 -10.061 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.298 1.436 -11.035 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.026 -0.260 -10.454 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.342 1.266 -11.961 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.535 0.243 -11.658 1.00 0.00 N ATOM 0 H HIS A 102 2.931 -2.151 -8.747 1.00 0.00 H new ATOM 0 HA HIS A 102 4.545 -0.297 -10.260 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.488 -0.076 -8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.364 1.344 -8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.611 -1.098 -9.914 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.237 1.880 -12.843 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.266 -0.095 -12.192 1.00 0.00 H new ATOM 1560 N LEU A 103 5.420 -0.807 -7.133 1.00 0.00 N ATOM 1561 CA LEU A 103 6.542 -0.503 -6.195 1.00 0.00 C ATOM 1562 C LEU A 103 7.881 -0.878 -6.833 1.00 0.00 C ATOM 1563 O LEU A 103 8.823 -0.111 -6.808 1.00 0.00 O ATOM 1564 CB LEU A 103 6.373 -1.303 -4.901 1.00 0.00 C ATOM 1565 CG LEU A 103 5.143 -0.810 -4.132 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.889 -1.748 -2.949 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.362 0.628 -3.618 1.00 0.00 C ATOM 0 H LEU A 103 4.721 -1.465 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 103 6.527 0.565 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.266 -2.363 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.264 -1.199 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 103 4.282 -0.807 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.015 -1.406 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.712 -2.759 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.758 -1.748 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.477 0.959 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.225 0.649 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.539 1.293 -4.463 1.00 0.00 H new ATOM 1579 N LYS A 104 7.984 -2.045 -7.399 1.00 0.00 N ATOM 1580 CA LYS A 104 9.275 -2.448 -8.026 1.00 0.00 C ATOM 1581 C LYS A 104 9.546 -1.607 -9.280 1.00 0.00 C ATOM 1582 O LYS A 104 10.674 -1.449 -9.704 1.00 0.00 O ATOM 1583 CB LYS A 104 9.226 -3.937 -8.396 1.00 0.00 C ATOM 1584 CG LYS A 104 8.101 -4.201 -9.404 1.00 0.00 C ATOM 1585 CD LYS A 104 8.127 -5.679 -9.827 1.00 0.00 C ATOM 1586 CE LYS A 104 7.524 -6.559 -8.730 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.200 -7.901 -9.297 1.00 0.00 N ATOM 0 H LYS A 104 7.236 -2.736 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 104 10.082 -2.279 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.182 -4.245 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.067 -4.536 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.136 -3.956 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.223 -3.560 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.568 -5.808 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.153 -5.988 -10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.226 -6.661 -7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.624 -6.094 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.516 -8.383 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.789 -7.787 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.069 -8.469 -9.362 1.00 0.00 H new ATOM 1601 N LYS A 105 8.518 -1.094 -9.891 1.00 0.00 N ATOM 1602 CA LYS A 105 8.700 -0.292 -11.137 1.00 0.00 C ATOM 1603 C LYS A 105 9.443 1.025 -10.851 1.00 0.00 C ATOM 1604 O LYS A 105 10.366 1.384 -11.554 1.00 0.00 O ATOM 1605 CB LYS A 105 7.316 0.002 -11.714 1.00 0.00 C ATOM 1606 CG LYS A 105 7.447 0.663 -13.092 1.00 0.00 C ATOM 1607 CD LYS A 105 6.073 1.161 -13.565 1.00 0.00 C ATOM 1608 CE LYS A 105 5.216 -0.016 -14.052 1.00 0.00 C ATOM 1609 NZ LYS A 105 5.966 -0.794 -15.078 1.00 0.00 N ATOM 0 H LYS A 105 7.551 -1.195 -9.581 1.00 0.00 H new ATOM 0 HA LYS A 105 9.303 -0.857 -11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.745 -0.923 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.764 0.657 -11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.148 1.496 -13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.852 -0.050 -13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.565 1.676 -12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.199 1.885 -14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.955 -0.660 -13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.281 0.353 -14.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.295 -1.320 -15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.520 -0.143 -15.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.608 -1.463 -14.606 1.00 0.00 H new ATOM 1623 N LEU A 106 9.050 1.750 -9.841 1.00 0.00 N ATOM 1624 CA LEU A 106 9.741 3.039 -9.536 1.00 0.00 C ATOM 1625 C LEU A 106 11.220 2.772 -9.242 1.00 0.00 C ATOM 1626 O LEU A 106 12.067 3.612 -9.477 1.00 0.00 O ATOM 1627 CB LEU A 106 9.073 3.713 -8.323 1.00 0.00 C ATOM 1628 CG LEU A 106 7.777 4.463 -8.726 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.116 5.836 -9.322 1.00 0.00 C ATOM 1630 CD2 LEU A 106 6.961 3.658 -9.754 1.00 0.00 C ATOM 0 H LEU A 106 8.283 1.509 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 106 9.664 3.704 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.839 2.959 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.772 4.413 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 106 7.180 4.590 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.195 6.349 -9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.654 6.430 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.739 5.705 -10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.059 4.211 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.561 3.498 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.685 2.695 -9.325 1.00 0.00 H new ATOM 1642 N PHE A 107 11.539 1.620 -8.725 1.00 0.00 N ATOM 1643 CA PHE A 107 12.965 1.318 -8.413 1.00 0.00 C ATOM 1644 C PHE A 107 13.799 1.394 -9.697 1.00 0.00 C ATOM 1645 O PHE A 107 14.912 1.878 -9.696 1.00 0.00 O ATOM 1646 CB PHE A 107 13.088 -0.082 -7.812 1.00 0.00 C ATOM 1647 CG PHE A 107 14.530 -0.321 -7.435 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.072 0.340 -6.328 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.328 -1.189 -8.192 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.408 0.138 -5.976 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.667 -1.396 -7.838 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.208 -0.730 -6.730 1.00 0.00 C ATOM 0 H PHE A 107 10.877 0.875 -8.505 1.00 0.00 H new ATOM 0 HA PHE A 107 13.331 2.050 -7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.448 -0.174 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.756 -0.832 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.456 1.008 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.911 -1.698 -9.048 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.825 0.651 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.282 -2.068 -8.418 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.241 -0.886 -6.458 1.00 0.00 H new ATOM 1662 N ARG A 108 13.269 0.914 -10.790 1.00 0.00 N ATOM 1663 CA ARG A 108 14.027 0.954 -12.077 1.00 0.00 C ATOM 1664 C ARG A 108 14.322 2.405 -12.469 1.00 0.00 C ATOM 1665 O ARG A 108 15.391 2.718 -12.959 1.00 0.00 O ATOM 1666 CB ARG A 108 13.203 0.280 -13.180 1.00 0.00 C ATOM 1667 CG ARG A 108 13.189 -1.233 -12.949 1.00 0.00 C ATOM 1668 CD ARG A 108 12.360 -1.913 -14.043 1.00 0.00 C ATOM 1669 NE ARG A 108 12.162 -3.360 -13.694 1.00 0.00 N ATOM 1670 CZ ARG A 108 13.175 -4.163 -13.523 1.00 0.00 C ATOM 1671 NH1 ARG A 108 14.378 -3.771 -13.826 1.00 0.00 N ATOM 1672 NH2 ARG A 108 12.976 -5.380 -13.097 1.00 0.00 N ATOM 0 H ARG A 108 12.341 0.494 -10.848 1.00 0.00 H new ATOM 0 HA ARG A 108 14.970 0.422 -11.951 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.185 0.669 -13.178 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.629 0.506 -14.158 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.207 -1.621 -12.956 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.769 -1.457 -11.968 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.395 -1.417 -14.144 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.866 -1.826 -15.005 1.00 0.00 H new ATOM 0 HE ARG A 108 11.215 -3.723 -13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.530 -2.834 -14.198 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.169 -4.401 -13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.029 -5.702 -12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.768 -6.009 -12.963 1.00 0.00 H new ATOM 1686 N GLU A 109 13.389 3.295 -12.266 1.00 0.00 N ATOM 1687 CA GLU A 109 13.630 4.716 -12.642 1.00 0.00 C ATOM 1688 C GLU A 109 14.438 5.412 -11.539 1.00 0.00 C ATOM 1689 O GLU A 109 14.940 6.502 -11.722 1.00 0.00 O ATOM 1690 CB GLU A 109 12.283 5.420 -12.816 1.00 0.00 C ATOM 1691 CG GLU A 109 11.589 4.886 -14.070 1.00 0.00 C ATOM 1692 CD GLU A 109 10.207 5.533 -14.202 1.00 0.00 C ATOM 1693 OE1 GLU A 109 9.785 6.180 -13.257 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.591 5.361 -15.242 1.00 0.00 O ATOM 0 H GLU A 109 12.475 3.100 -11.858 1.00 0.00 H new ATOM 0 HA GLU A 109 14.191 4.760 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.656 5.251 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.431 6.497 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.190 5.104 -14.952 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.491 3.802 -14.011 1.00 0.00 H new ATOM 1701 N GLY A 110 14.581 4.785 -10.399 1.00 0.00 N ATOM 1702 CA GLY A 110 15.368 5.409 -9.299 1.00 0.00 C ATOM 1703 C GLY A 110 14.679 6.693 -8.841 1.00 0.00 C ATOM 1704 O GLY A 110 15.229 7.474 -8.090 1.00 0.00 O ATOM 0 H GLY A 110 14.186 3.869 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.458 4.715 -8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.379 5.629 -9.641 1.00 0.00 H new ATOM 1708 N ARG A 111 13.475 6.923 -9.290 1.00 0.00 N ATOM 1709 CA ARG A 111 12.744 8.162 -8.886 1.00 0.00 C ATOM 1710 C ARG A 111 11.847 7.845 -7.690 1.00 0.00 C ATOM 1711 O ARG A 111 10.774 7.293 -7.831 1.00 0.00 O ATOM 1712 CB ARG A 111 11.890 8.638 -10.059 1.00 0.00 C ATOM 1713 CG ARG A 111 12.802 9.106 -11.199 1.00 0.00 C ATOM 1714 CD ARG A 111 11.940 9.560 -12.376 1.00 0.00 C ATOM 1715 NE ARG A 111 12.780 9.688 -13.616 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.815 10.485 -13.675 1.00 0.00 C ATOM 1717 NH1 ARG A 111 14.085 11.305 -12.695 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.561 10.493 -14.747 1.00 0.00 N ATOM 0 H ARG A 111 12.963 6.306 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 111 13.452 8.943 -8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.244 7.830 -10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.239 9.453 -9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.437 9.925 -10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.463 8.296 -11.508 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.136 8.844 -12.545 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.471 10.517 -12.145 1.00 0.00 H new ATOM 0 HE ARG A 111 12.535 9.136 -14.438 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.485 11.329 -11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 111 14.896 11.921 -12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.335 9.880 -15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.370 11.112 -14.801 1.00 0.00 H new ATOM 1732 N PHE A 112 12.289 8.182 -6.509 1.00 0.00 N ATOM 1733 CA PHE A 112 11.486 7.900 -5.283 1.00 0.00 C ATOM 1734 C PHE A 112 10.670 9.136 -4.909 1.00 0.00 C ATOM 1735 O PHE A 112 11.192 10.228 -4.825 1.00 0.00 O ATOM 1736 CB PHE A 112 12.455 7.545 -4.158 1.00 0.00 C ATOM 1737 CG PHE A 112 13.323 6.422 -4.660 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.846 5.108 -4.637 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.588 6.700 -5.187 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.636 4.069 -5.140 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.382 5.661 -5.686 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.905 4.345 -5.665 1.00 0.00 C ATOM 0 H PHE A 112 13.181 8.646 -6.339 1.00 0.00 H new ATOM 0 HA PHE A 112 10.797 7.074 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.062 8.409 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.912 7.242 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.868 4.895 -4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.952 7.716 -5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.268 3.054 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.362 5.874 -6.087 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.515 3.543 -6.053 1.00 0.00 H new ATOM 1752 N ASN A 113 9.396 8.973 -4.682 1.00 0.00 N ATOM 1753 CA ASN A 113 8.549 10.140 -4.309 1.00 0.00 C ATOM 1754 C ASN A 113 8.606 11.192 -5.420 1.00 0.00 C ATOM 1755 CB ASN A 113 9.071 10.742 -2.998 1.00 0.00 C ATOM 1756 CG ASN A 113 9.447 9.610 -2.041 1.00 0.00 C ATOM 1757 OD1 ASN A 113 9.052 8.395 -2.308 1.00 0.00 O flip ATOM 1758 ND2 ASN A 113 10.110 9.831 -1.047 1.00 0.00 N flip ATOM 1759 OXT ASN A 113 7.840 12.141 -5.353 1.00 0.00 O ATOM 0 H ASN A 113 8.905 8.081 -4.739 1.00 0.00 H new ATOM 0 HA ASN A 113 7.516 9.817 -4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.938 11.373 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.309 11.378 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.418 10.781 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.359 9.066 -0.420 1.00 0.00 H new TER 1766 ASN A 113