USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= 0.138 X(o=0.45,f=0.0097) USER MOD Set 1.2: A 51 SER OG : rot 58:sc= 0.313 USER MOD Set 2.1: A 1 MET N :NH3+ -128:sc= 0.35 (180deg=0) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.636 K(o=-0.29,f=-6.9!) USER MOD Single : A 1 MET CE :methyl -142:sc=-1.65e-05 (180deg=-0.552) USER MOD Single : A 6 THR OG1 : rot 114:sc= -1.36! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000208 USER MOD Single : A 11 SER OG : rot 12:sc= 0.9 USER MOD Single : A 26 SER OG : rot 80:sc= 1 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0335 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 56 THR OG1 : rot -96:sc= -0.447 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 64 SER OG : rot -44:sc= 0.747 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.174 USER MOD Single : A 73 SER OG : rot -76:sc= 0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.882 4.012 -0.653 1.00 0.00 N ATOM 2 CA MET A 1 -13.103 2.743 -0.628 1.00 0.00 C ATOM 3 C MET A 1 -12.005 2.862 0.426 1.00 0.00 C ATOM 4 O MET A 1 -11.413 3.931 0.586 1.00 0.00 O ATOM 5 CB MET A 1 -12.490 2.513 -2.011 1.00 0.00 C ATOM 6 CG MET A 1 -11.759 1.169 -2.047 1.00 0.00 C ATOM 7 SD MET A 1 -11.512 0.671 -3.771 1.00 0.00 S ATOM 8 CE MET A 1 -10.009 1.628 -4.095 1.00 0.00 C ATOM 0 H1 MET A 1 -14.896 3.799 -0.562 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.583 4.618 0.138 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.711 4.506 -1.552 1.00 0.00 H new ATOM 0 HA MET A 1 -13.748 1.900 -0.379 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.271 2.531 -2.771 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.796 3.319 -2.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.798 1.250 -1.538 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.338 0.413 -1.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.042 2.025 -5.110 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.942 2.452 -3.385 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.137 0.984 -3.986 1.00 0.00 H new ATOM 20 N ARG A 2 -11.732 1.770 1.146 1.00 0.00 N ATOM 21 CA ARG A 2 -10.693 1.783 2.187 1.00 0.00 C ATOM 22 C ARG A 2 -9.681 0.663 1.955 1.00 0.00 C ATOM 23 O ARG A 2 -10.053 -0.477 1.677 1.00 0.00 O ATOM 24 CB ARG A 2 -11.338 1.604 3.561 1.00 0.00 C ATOM 25 CG ARG A 2 -12.128 2.861 3.922 1.00 0.00 C ATOM 26 CD ARG A 2 -12.769 2.675 5.296 1.00 0.00 C ATOM 27 NE ARG A 2 -13.670 1.529 5.276 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.427 1.238 6.327 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.111 1.706 7.502 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.484 0.485 6.183 1.00 0.00 N ATOM 0 H ARG A 2 -12.208 0.875 1.032 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.174 2.741 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.998 0.737 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.571 1.415 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.469 3.729 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.896 3.050 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.996 2.527 6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.318 3.574 5.575 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.719 0.943 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.285 2.294 7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.690 1.485 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.729 0.120 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.065 0.262 6.991 1.00 0.00 H new ATOM 44 N ILE A 3 -8.400 1.002 2.062 1.00 0.00 N ATOM 45 CA ILE A 3 -7.322 0.031 1.852 1.00 0.00 C ATOM 46 C ILE A 3 -6.493 -0.124 3.126 1.00 0.00 C ATOM 47 O ILE A 3 -5.981 0.861 3.655 1.00 0.00 O ATOM 48 CB ILE A 3 -6.398 0.522 0.727 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.186 0.656 -0.598 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.267 -0.496 0.538 1.00 0.00 C ATOM 51 CD1 ILE A 3 -7.928 2.002 -0.678 1.00 0.00 C ATOM 0 H ILE A 3 -8.079 1.942 2.293 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.767 -0.928 1.585 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.992 1.497 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.501 0.566 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.902 -0.161 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.603 -0.159 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.702 -0.589 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.690 -1.465 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.471 2.063 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.631 2.080 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.208 2.818 -0.621 1.00 0.00 H new ATOM 63 N GLU A 4 -6.362 -1.360 3.623 1.00 0.00 N ATOM 64 CA GLU A 4 -5.584 -1.612 4.848 1.00 0.00 C ATOM 65 C GLU A 4 -4.467 -2.626 4.601 1.00 0.00 C ATOM 66 O GLU A 4 -4.697 -3.702 4.048 1.00 0.00 O ATOM 67 CB GLU A 4 -6.504 -2.116 5.961 1.00 0.00 C ATOM 68 CG GLU A 4 -7.530 -1.033 6.303 1.00 0.00 C ATOM 69 CD GLU A 4 -8.461 -1.526 7.407 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.141 -1.313 8.565 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.480 -2.110 7.077 1.00 0.00 O ATOM 0 H GLU A 4 -6.777 -2.193 3.205 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.127 -0.670 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.012 -3.026 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.919 -2.370 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.019 -0.125 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.109 -0.776 5.416 1.00 0.00 H new ATOM 78 N VAL A 5 -3.249 -2.255 5.005 1.00 0.00 N ATOM 79 CA VAL A 5 -2.076 -3.121 4.811 1.00 0.00 C ATOM 80 C VAL A 5 -1.423 -3.481 6.149 1.00 0.00 C ATOM 81 O VAL A 5 -1.183 -2.616 6.986 1.00 0.00 O ATOM 82 CB VAL A 5 -1.058 -2.400 3.928 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.041 -3.374 3.496 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.762 -1.815 2.692 1.00 0.00 C ATOM 0 H VAL A 5 -3.047 -1.368 5.466 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.406 -4.044 4.333 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.605 -1.587 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.763 -2.853 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.546 -3.767 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.402 -4.197 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.032 -1.302 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.226 -2.620 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.528 -1.107 3.010 1.00 0.00 H new ATOM 94 N THR A 6 -1.134 -4.774 6.338 1.00 0.00 N ATOM 95 CA THR A 6 -0.495 -5.258 7.570 1.00 0.00 C ATOM 96 C THR A 6 0.825 -5.916 7.237 1.00 0.00 C ATOM 97 O THR A 6 0.924 -6.726 6.314 1.00 0.00 O ATOM 98 CB THR A 6 -1.394 -6.265 8.279 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.338 -7.503 7.589 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.834 -5.750 8.297 1.00 0.00 C ATOM 0 H THR A 6 -1.332 -5.505 5.654 1.00 0.00 H new ATOM 0 HA THR A 6 -0.327 -4.407 8.229 1.00 0.00 H new ATOM 0 HB THR A 6 -1.053 -6.401 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.919 -8.178 8.162 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.473 -6.473 8.805 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.873 -4.797 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.184 -5.612 7.274 1.00 0.00 H new ATOM 108 N ILE A 7 1.837 -5.562 8.011 1.00 0.00 N ATOM 109 CA ILE A 7 3.177 -6.100 7.841 1.00 0.00 C ATOM 110 C ILE A 7 3.576 -6.897 9.081 1.00 0.00 C ATOM 111 O ILE A 7 3.405 -6.432 10.207 1.00 0.00 O ATOM 112 CB ILE A 7 4.132 -4.931 7.635 1.00 0.00 C ATOM 113 CG1 ILE A 7 3.928 -4.363 6.228 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.588 -5.395 7.812 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.676 -3.037 6.093 1.00 0.00 C ATOM 0 H ILE A 7 1.753 -4.893 8.776 1.00 0.00 H new ATOM 0 HA ILE A 7 3.213 -6.768 6.980 1.00 0.00 H new ATOM 0 HB ILE A 7 3.926 -4.158 8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.289 -5.072 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.865 -4.213 6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.260 -4.550 7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.724 -5.792 8.818 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.814 -6.172 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.528 -2.636 5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.294 -2.328 6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.740 -3.200 6.265 1.00 0.00 H new ATOM 127 N ALA A 8 4.105 -8.097 8.869 1.00 0.00 N ATOM 128 CA ALA A 8 4.516 -8.936 9.984 1.00 0.00 C ATOM 129 C ALA A 8 5.657 -8.278 10.744 1.00 0.00 C ATOM 130 O ALA A 8 6.636 -7.798 10.173 1.00 0.00 O ATOM 131 CB ALA A 8 4.968 -10.298 9.461 1.00 0.00 C ATOM 0 H ALA A 8 4.257 -8.505 7.947 1.00 0.00 H new ATOM 0 HA ALA A 8 3.670 -9.066 10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.276 -10.925 10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.144 -10.777 8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.808 -10.165 8.779 1.00 0.00 H new ATOM 137 N LYS A 9 5.469 -8.255 12.055 1.00 0.00 N ATOM 138 CA LYS A 9 6.415 -7.651 12.975 1.00 0.00 C ATOM 139 C LYS A 9 7.781 -8.326 12.875 1.00 0.00 C ATOM 140 O LYS A 9 8.806 -7.712 13.174 1.00 0.00 O ATOM 141 CB LYS A 9 5.862 -7.712 14.408 1.00 0.00 C ATOM 142 CG LYS A 9 6.819 -7.047 15.416 1.00 0.00 C ATOM 143 CD LYS A 9 6.344 -7.352 16.842 1.00 0.00 C ATOM 144 CE LYS A 9 5.039 -6.601 17.134 1.00 0.00 C ATOM 145 NZ LYS A 9 4.833 -6.526 18.608 1.00 0.00 N ATOM 0 H LYS A 9 4.650 -8.658 12.511 1.00 0.00 H new ATOM 0 HA LYS A 9 6.551 -6.604 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.892 -7.216 14.445 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.700 -8.752 14.692 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.834 -7.418 15.271 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.847 -5.970 15.252 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.190 -8.425 16.961 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.110 -7.058 17.560 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.080 -5.598 16.710 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.199 -7.112 16.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.949 -6.017 18.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.776 -7.488 19.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.630 -6.021 19.045 1.00 0.00 H new ATOM 159 N THR A 10 7.799 -9.578 12.431 1.00 0.00 N ATOM 160 CA THR A 10 9.050 -10.309 12.273 1.00 0.00 C ATOM 161 C THR A 10 9.931 -9.617 11.238 1.00 0.00 C ATOM 162 O THR A 10 11.105 -9.958 11.093 1.00 0.00 O ATOM 163 CB THR A 10 8.759 -11.741 11.819 1.00 0.00 C ATOM 164 OG1 THR A 10 7.822 -11.712 10.751 1.00 0.00 O ATOM 165 CG2 THR A 10 8.185 -12.544 12.989 1.00 0.00 C ATOM 0 H THR A 10 6.965 -10.106 12.175 1.00 0.00 H new ATOM 0 HA THR A 10 9.570 -10.330 13.231 1.00 0.00 H new ATOM 0 HB THR A 10 9.682 -12.213 11.481 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.634 -12.627 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.978 -13.564 12.664 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.906 -12.563 13.806 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.261 -12.078 13.331 1.00 0.00 H new ATOM 173 N SER A 11 9.372 -8.642 10.519 1.00 0.00 N ATOM 174 CA SER A 11 10.129 -7.904 9.497 1.00 0.00 C ATOM 175 C SER A 11 10.118 -6.402 9.796 1.00 0.00 C ATOM 176 O SER A 11 9.342 -5.653 9.203 1.00 0.00 O ATOM 177 CB SER A 11 9.507 -8.146 8.120 1.00 0.00 C ATOM 178 OG SER A 11 8.105 -7.924 8.192 1.00 0.00 O ATOM 0 H SER A 11 8.402 -8.343 10.622 1.00 0.00 H new ATOM 0 HA SER A 11 11.159 -8.260 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.955 -7.479 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.709 -9.165 7.791 1.00 0.00 H new ATOM 0 HG SER A 11 7.887 -7.483 9.039 1.00 0.00 H new ATOM 184 N PRO A 12 10.957 -5.949 10.700 1.00 0.00 N ATOM 185 CA PRO A 12 11.039 -4.513 11.079 1.00 0.00 C ATOM 186 C PRO A 12 11.671 -3.624 10.004 1.00 0.00 C ATOM 187 O PRO A 12 12.732 -3.939 9.464 1.00 0.00 O ATOM 188 CB PRO A 12 11.828 -4.484 12.407 1.00 0.00 C ATOM 189 CG PRO A 12 12.161 -5.919 12.732 1.00 0.00 C ATOM 190 CD PRO A 12 11.927 -6.745 11.460 1.00 0.00 C ATOM 0 HA PRO A 12 10.040 -4.092 11.191 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.735 -3.887 12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.235 -4.033 13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.196 -6.007 13.062 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.535 -6.283 13.546 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.852 -6.889 10.901 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.537 -7.736 11.692 1.00 0.00 H new ATOM 198 N LEU A 13 11.022 -2.494 9.728 1.00 0.00 N ATOM 199 CA LEU A 13 11.522 -1.528 8.752 1.00 0.00 C ATOM 200 C LEU A 13 12.036 -0.300 9.515 1.00 0.00 C ATOM 201 O LEU A 13 11.519 0.012 10.588 1.00 0.00 O ATOM 202 CB LEU A 13 10.399 -1.144 7.783 1.00 0.00 C ATOM 203 CG LEU A 13 9.597 -2.398 7.391 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.476 -2.028 6.412 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.520 -3.425 6.719 1.00 0.00 C ATOM 0 H LEU A 13 10.143 -2.224 10.170 1.00 0.00 H new ATOM 0 HA LEU A 13 12.335 -1.957 8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.740 -0.410 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.819 -0.676 6.892 1.00 0.00 H new ATOM 0 HG LEU A 13 9.166 -2.825 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.917 -2.924 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.805 -1.309 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.908 -1.587 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.943 -4.308 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.960 -2.987 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.313 -3.709 7.411 1.00 0.00 H new ATOM 217 N PRO A 14 13.056 0.376 9.035 1.00 0.00 N ATOM 218 CA PRO A 14 13.628 1.544 9.763 1.00 0.00 C ATOM 219 C PRO A 14 12.544 2.511 10.256 1.00 0.00 C ATOM 220 O PRO A 14 11.459 2.609 9.684 1.00 0.00 O ATOM 221 CB PRO A 14 14.601 2.213 8.767 1.00 0.00 C ATOM 222 CG PRO A 14 14.525 1.415 7.484 1.00 0.00 C ATOM 223 CD PRO A 14 13.773 0.108 7.782 1.00 0.00 C ATOM 0 HA PRO A 14 14.143 1.231 10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.323 3.253 8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.617 2.216 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.008 1.984 6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.526 1.202 7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.084 -0.146 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.461 -0.731 7.890 1.00 0.00 H new ATOM 231 N ALA A 15 12.874 3.186 11.354 1.00 0.00 N ATOM 232 CA ALA A 15 11.977 4.137 12.010 1.00 0.00 C ATOM 233 C ALA A 15 11.538 5.277 11.082 1.00 0.00 C ATOM 234 O ALA A 15 11.657 6.448 11.442 1.00 0.00 O ATOM 235 CB ALA A 15 12.706 4.738 13.210 1.00 0.00 C ATOM 0 H ALA A 15 13.777 3.089 11.818 1.00 0.00 H new ATOM 0 HA ALA A 15 11.080 3.595 12.309 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.053 5.451 13.713 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.980 3.944 13.905 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.607 5.249 12.870 1.00 0.00 H new ATOM 241 N GLY A 16 11.036 4.945 9.898 1.00 0.00 N ATOM 242 CA GLY A 16 10.596 5.970 8.954 1.00 0.00 C ATOM 243 C GLY A 16 9.968 5.340 7.719 1.00 0.00 C ATOM 244 O GLY A 16 9.298 6.007 6.931 1.00 0.00 O ATOM 0 H GLY A 16 10.924 3.986 9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.875 6.629 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.445 6.587 8.660 1.00 0.00 H new ATOM 248 N ALA A 17 10.247 4.056 7.538 1.00 0.00 N ATOM 249 CA ALA A 17 9.774 3.324 6.372 1.00 0.00 C ATOM 250 C ALA A 17 8.261 3.080 6.325 1.00 0.00 C ATOM 251 O ALA A 17 7.657 3.197 5.257 1.00 0.00 O ATOM 252 CB ALA A 17 10.548 2.015 6.232 1.00 0.00 C ATOM 0 H ALA A 17 10.801 3.498 8.188 1.00 0.00 H new ATOM 0 HA ALA A 17 9.969 3.971 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.189 1.472 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.610 2.231 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.398 1.406 7.124 1.00 0.00 H new ATOM 258 N ILE A 18 7.639 2.747 7.448 1.00 0.00 N ATOM 259 CA ILE A 18 6.197 2.503 7.444 1.00 0.00 C ATOM 260 C ILE A 18 5.462 3.756 6.982 1.00 0.00 C ATOM 261 O ILE A 18 4.613 3.703 6.092 1.00 0.00 O ATOM 262 CB ILE A 18 5.739 2.127 8.862 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.309 0.742 9.250 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.205 2.115 8.937 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.409 -0.395 8.741 1.00 0.00 C ATOM 0 H ILE A 18 8.094 2.641 8.355 1.00 0.00 H new ATOM 0 HA ILE A 18 5.971 1.685 6.760 1.00 0.00 H new ATOM 0 HB ILE A 18 6.114 2.870 9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.311 0.629 8.835 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.404 0.676 10.334 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.892 1.847 9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.821 3.104 8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.812 1.385 8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.837 -1.355 9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.415 -0.295 9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.336 -0.343 7.655 1.00 0.00 H new ATOM 277 N ASP A 19 5.806 4.886 7.593 1.00 0.00 N ATOM 278 CA ASP A 19 5.177 6.148 7.225 1.00 0.00 C ATOM 279 C ASP A 19 5.465 6.464 5.763 1.00 0.00 C ATOM 280 O ASP A 19 4.595 6.978 5.059 1.00 0.00 O ATOM 281 CB ASP A 19 5.620 7.288 8.143 1.00 0.00 C ATOM 282 CG ASP A 19 7.138 7.297 8.271 1.00 0.00 C ATOM 283 OD1 ASP A 19 7.670 6.336 8.801 1.00 0.00 O ATOM 284 OD2 ASP A 19 7.744 8.260 7.833 1.00 0.00 O ATOM 0 H ASP A 19 6.505 4.953 8.333 1.00 0.00 H new ATOM 0 HA ASP A 19 4.099 6.045 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.275 8.242 7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.165 7.171 9.127 1.00 0.00 H new ATOM 289 N ALA A 20 6.675 6.161 5.295 1.00 0.00 N ATOM 290 CA ALA A 20 7.003 6.441 3.903 1.00 0.00 C ATOM 291 C ALA A 20 6.186 5.557 2.958 1.00 0.00 C ATOM 292 O ALA A 20 5.697 6.019 1.927 1.00 0.00 O ATOM 293 CB ALA A 20 8.501 6.247 3.648 1.00 0.00 C ATOM 0 H ALA A 20 7.423 5.734 5.842 1.00 0.00 H new ATOM 0 HA ALA A 20 6.749 7.482 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.723 6.461 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.069 6.924 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.778 5.217 3.874 1.00 0.00 H new ATOM 299 N LEU A 21 6.039 4.287 3.322 1.00 0.00 N ATOM 300 CA LEU A 21 5.287 3.336 2.527 1.00 0.00 C ATOM 301 C LEU A 21 3.836 3.782 2.368 1.00 0.00 C ATOM 302 O LEU A 21 3.294 3.798 1.262 1.00 0.00 O ATOM 303 CB LEU A 21 5.384 1.964 3.216 1.00 0.00 C ATOM 304 CG LEU A 21 4.436 0.954 2.576 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.797 0.750 1.102 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.551 -0.383 3.310 1.00 0.00 C ATOM 0 H LEU A 21 6.438 3.894 4.174 1.00 0.00 H new ATOM 0 HA LEU A 21 5.703 3.273 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.408 1.595 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.147 2.069 4.275 1.00 0.00 H new ATOM 0 HG LEU A 21 3.416 1.332 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.113 0.027 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.716 1.700 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.819 0.378 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.875 -1.107 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.575 -0.749 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.285 -0.247 4.358 1.00 0.00 H new ATOM 318 N ALA A 22 3.219 4.145 3.490 1.00 0.00 N ATOM 319 CA ALA A 22 1.832 4.593 3.482 1.00 0.00 C ATOM 320 C ALA A 22 1.685 5.831 2.599 1.00 0.00 C ATOM 321 O ALA A 22 0.685 5.971 1.895 1.00 0.00 O ATOM 322 CB ALA A 22 1.357 4.898 4.905 1.00 0.00 C ATOM 0 H ALA A 22 3.657 4.137 4.411 1.00 0.00 H new ATOM 0 HA ALA A 22 1.212 3.794 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.319 5.231 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.434 3.998 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.979 5.683 5.336 1.00 0.00 H new ATOM 328 N GLY A 23 2.666 6.715 2.615 1.00 0.00 N ATOM 329 CA GLY A 23 2.613 7.915 1.785 1.00 0.00 C ATOM 330 C GLY A 23 2.761 7.582 0.304 1.00 0.00 C ATOM 331 O GLY A 23 2.028 8.128 -0.521 1.00 0.00 O ATOM 0 H GLY A 23 3.506 6.630 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.667 8.430 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.405 8.601 2.085 1.00 0.00 H new ATOM 335 N GLU A 24 3.703 6.712 -0.054 1.00 0.00 N ATOM 336 CA GLU A 24 3.875 6.393 -1.469 1.00 0.00 C ATOM 337 C GLU A 24 2.635 5.681 -2.005 1.00 0.00 C ATOM 338 O GLU A 24 2.206 5.934 -3.130 1.00 0.00 O ATOM 339 CB GLU A 24 5.124 5.527 -1.687 1.00 0.00 C ATOM 340 CG GLU A 24 5.414 5.424 -3.187 1.00 0.00 C ATOM 341 CD GLU A 24 5.896 6.774 -3.708 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.336 7.574 -2.899 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.818 6.987 -4.906 1.00 0.00 O ATOM 0 H GLU A 24 4.336 6.232 0.586 1.00 0.00 H new ATOM 0 HA GLU A 24 4.009 7.326 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.978 5.964 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.970 4.534 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.171 4.661 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.515 5.116 -3.721 1.00 0.00 H new ATOM 350 N LEU A 25 2.072 4.782 -1.207 1.00 0.00 N ATOM 351 CA LEU A 25 0.895 4.038 -1.644 1.00 0.00 C ATOM 352 C LEU A 25 -0.314 4.945 -1.869 1.00 0.00 C ATOM 353 O LEU A 25 -1.046 4.781 -2.845 1.00 0.00 O ATOM 354 CB LEU A 25 0.520 2.959 -0.620 1.00 0.00 C ATOM 355 CG LEU A 25 1.567 1.836 -0.612 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.278 0.898 0.566 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.531 1.037 -1.935 1.00 0.00 C ATOM 0 H LEU A 25 2.403 4.552 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 25 1.161 3.574 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.446 3.402 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.461 2.548 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 25 2.559 2.277 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.016 0.096 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.332 1.459 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.281 0.472 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.282 0.248 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.544 0.594 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.742 1.706 -2.770 1.00 0.00 H new ATOM 369 N SER A 26 -0.528 5.891 -0.963 1.00 0.00 N ATOM 370 CA SER A 26 -1.667 6.798 -1.082 1.00 0.00 C ATOM 371 C SER A 26 -1.600 7.603 -2.371 1.00 0.00 C ATOM 372 O SER A 26 -2.598 7.733 -3.080 1.00 0.00 O ATOM 373 CB SER A 26 -1.694 7.764 0.100 1.00 0.00 C ATOM 374 OG SER A 26 -1.864 7.031 1.305 1.00 0.00 O ATOM 0 H SER A 26 0.063 6.051 -0.147 1.00 0.00 H new ATOM 0 HA SER A 26 -2.572 6.191 -1.091 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.767 8.336 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.506 8.481 -0.020 1.00 0.00 H new ATOM 0 HG SER A 26 -1.005 6.644 1.577 1.00 0.00 H new ATOM 380 N ARG A 27 -0.427 8.146 -2.678 1.00 0.00 N ATOM 381 CA ARG A 27 -0.279 8.929 -3.894 1.00 0.00 C ATOM 382 C ARG A 27 -0.611 8.041 -5.090 1.00 0.00 C ATOM 383 O ARG A 27 -1.292 8.467 -6.018 1.00 0.00 O ATOM 384 CB ARG A 27 1.156 9.456 -4.008 1.00 0.00 C ATOM 385 CG ARG A 27 1.430 10.518 -2.928 1.00 0.00 C ATOM 386 CD ARG A 27 0.843 11.874 -3.337 1.00 0.00 C ATOM 387 NE ARG A 27 1.343 12.925 -2.458 1.00 0.00 N ATOM 388 CZ ARG A 27 1.253 14.205 -2.806 1.00 0.00 C ATOM 389 NH1 ARG A 27 0.189 14.634 -3.428 1.00 0.00 N ATOM 390 NH2 ARG A 27 2.228 15.028 -2.534 1.00 0.00 N ATOM 0 H ARG A 27 0.418 8.060 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.957 9.782 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.861 8.632 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.314 9.886 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.996 10.200 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.504 10.614 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.109 12.097 -4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.245 11.837 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 27 1.767 12.675 -1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.570 13.988 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.116 15.615 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.062 14.690 -2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.157 16.010 -2.802 1.00 0.00 H new ATOM 404 N ARG A 28 -0.152 6.796 -5.050 1.00 0.00 N ATOM 405 CA ARG A 28 -0.438 5.852 -6.129 1.00 0.00 C ATOM 406 C ARG A 28 -1.939 5.595 -6.260 1.00 0.00 C ATOM 407 O ARG A 28 -2.469 5.478 -7.364 1.00 0.00 O ATOM 408 CB ARG A 28 0.292 4.530 -5.873 1.00 0.00 C ATOM 409 CG ARG A 28 1.811 4.695 -6.067 1.00 0.00 C ATOM 410 CD ARG A 28 2.178 4.652 -7.561 1.00 0.00 C ATOM 411 NE ARG A 28 3.628 4.571 -7.718 1.00 0.00 N ATOM 412 CZ ARG A 28 4.183 4.331 -8.903 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.318 5.298 -9.769 1.00 0.00 N ATOM 414 NH2 ARG A 28 4.597 3.129 -9.201 1.00 0.00 N ATOM 0 H ARG A 28 0.414 6.417 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.085 6.291 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.086 4.186 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.084 3.765 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.137 5.641 -5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.338 3.903 -5.535 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.704 3.793 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.799 5.542 -8.063 1.00 0.00 H new ATOM 0 HE ARG A 28 4.227 4.701 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.998 6.238 -9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.744 5.113 -10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.495 2.372 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.022 2.947 -10.110 1.00 0.00 H new ATOM 428 N ILE A 29 -2.608 5.488 -5.117 1.00 0.00 N ATOM 429 CA ILE A 29 -4.045 5.219 -5.090 1.00 0.00 C ATOM 430 C ILE A 29 -4.863 6.375 -5.671 1.00 0.00 C ATOM 431 O ILE A 29 -5.777 6.163 -6.468 1.00 0.00 O ATOM 432 CB ILE A 29 -4.479 4.942 -3.638 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.856 3.610 -3.147 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.010 4.881 -3.543 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.719 2.402 -3.553 1.00 0.00 C ATOM 0 H ILE A 29 -2.180 5.583 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.236 4.347 -5.715 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.125 5.753 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.855 3.500 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.749 3.635 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.303 4.685 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.433 5.833 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.383 4.082 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.253 1.485 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.712 2.501 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.804 2.364 -4.639 1.00 0.00 H new ATOM 447 N GLN A 30 -4.534 7.590 -5.265 1.00 0.00 N ATOM 448 CA GLN A 30 -5.254 8.767 -5.751 1.00 0.00 C ATOM 449 C GLN A 30 -5.097 8.933 -7.255 1.00 0.00 C ATOM 450 O GLN A 30 -6.064 9.281 -7.934 1.00 0.00 O ATOM 451 CB GLN A 30 -4.782 10.038 -5.029 1.00 0.00 C ATOM 452 CG GLN A 30 -5.348 10.087 -3.601 1.00 0.00 C ATOM 453 CD GLN A 30 -4.692 11.223 -2.826 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.943 12.394 -3.108 1.00 0.00 O ATOM 455 NE2 GLN A 30 -3.866 10.944 -1.856 1.00 0.00 N ATOM 0 H GLN A 30 -3.781 7.792 -4.607 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.311 8.613 -5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.693 10.061 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.103 10.919 -5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.428 10.232 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.168 9.138 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.660 9.972 -1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.426 11.698 -1.328 1.00 0.00 H new ATOM 464 N TYR A 31 -3.908 8.689 -7.801 1.00 0.00 N ATOM 465 CA TYR A 31 -3.721 8.830 -9.234 1.00 0.00 C ATOM 466 C TYR A 31 -4.545 7.762 -9.959 1.00 0.00 C ATOM 467 O TYR A 31 -5.105 8.016 -11.026 1.00 0.00 O ATOM 468 CB TYR A 31 -2.232 8.714 -9.598 1.00 0.00 C ATOM 469 CG TYR A 31 -1.532 10.042 -9.362 1.00 0.00 C ATOM 470 CD1 TYR A 31 -1.589 10.657 -8.102 1.00 0.00 C ATOM 471 CD2 TYR A 31 -0.817 10.656 -10.402 1.00 0.00 C ATOM 472 CE1 TYR A 31 -0.937 11.874 -7.883 1.00 0.00 C ATOM 473 CE2 TYR A 31 -0.166 11.876 -10.181 1.00 0.00 C ATOM 474 CZ TYR A 31 -0.226 12.484 -8.922 1.00 0.00 C ATOM 475 OH TYR A 31 0.418 13.686 -8.704 1.00 0.00 O ATOM 0 H TYR A 31 -3.079 8.399 -7.282 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.063 9.816 -9.548 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.762 7.935 -8.998 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.127 8.419 -10.642 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.138 10.189 -7.299 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.769 10.187 -11.374 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.982 12.343 -6.911 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.383 12.348 -10.983 1.00 0.00 H new ATOM 0 HH TYR A 31 0.865 13.972 -9.528 1.00 0.00 H new ATOM 485 N ALA A 32 -4.604 6.568 -9.380 1.00 0.00 N ATOM 486 CA ALA A 32 -5.351 5.466 -9.984 1.00 0.00 C ATOM 487 C ALA A 32 -6.865 5.662 -9.869 1.00 0.00 C ATOM 488 O ALA A 32 -7.618 5.300 -10.771 1.00 0.00 O ATOM 489 CB ALA A 32 -4.960 4.151 -9.304 1.00 0.00 C ATOM 0 H ALA A 32 -4.147 6.337 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.098 5.440 -11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.517 3.329 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.891 3.979 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.193 4.208 -8.241 1.00 0.00 H new ATOM 495 N PHE A 33 -7.301 6.219 -8.735 1.00 0.00 N ATOM 496 CA PHE A 33 -8.731 6.445 -8.477 1.00 0.00 C ATOM 497 C PHE A 33 -9.021 7.935 -8.262 1.00 0.00 C ATOM 498 O PHE A 33 -9.043 8.412 -7.128 1.00 0.00 O ATOM 499 CB PHE A 33 -9.143 5.663 -7.226 1.00 0.00 C ATOM 500 CG PHE A 33 -8.948 4.185 -7.479 1.00 0.00 C ATOM 501 CD1 PHE A 33 -9.973 3.432 -8.068 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.741 3.568 -7.129 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.789 2.064 -8.306 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.558 2.201 -7.367 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.582 1.449 -7.956 1.00 0.00 C ATOM 0 H PHE A 33 -6.686 6.522 -7.980 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.300 6.104 -9.342 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.546 5.980 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.185 5.868 -6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.905 3.907 -8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.951 4.147 -6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.579 1.484 -8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.627 1.726 -7.096 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.440 0.394 -8.140 1.00 0.00 H new ATOM 515 N PRO A 34 -9.238 8.676 -9.326 1.00 0.00 N ATOM 516 CA PRO A 34 -9.524 10.139 -9.245 1.00 0.00 C ATOM 517 C PRO A 34 -10.915 10.473 -8.689 1.00 0.00 C ATOM 518 O PRO A 34 -11.129 11.539 -8.110 1.00 0.00 O ATOM 519 CB PRO A 34 -9.389 10.645 -10.710 1.00 0.00 C ATOM 520 CG PRO A 34 -9.004 9.456 -11.555 1.00 0.00 C ATOM 521 CD PRO A 34 -9.229 8.198 -10.716 1.00 0.00 C ATOM 0 HA PRO A 34 -8.835 10.619 -8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.328 11.076 -11.057 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.634 11.428 -10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.605 9.422 -12.464 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.961 9.528 -11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.170 7.712 -10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.438 7.466 -10.878 1.00 0.00 H new ATOM 529 N ASP A 35 -11.865 9.569 -8.928 1.00 0.00 N ATOM 530 CA ASP A 35 -13.257 9.779 -8.511 1.00 0.00 C ATOM 531 C ASP A 35 -13.608 9.135 -7.164 1.00 0.00 C ATOM 532 O ASP A 35 -14.725 9.334 -6.689 1.00 0.00 O ATOM 533 CB ASP A 35 -14.195 9.218 -9.588 1.00 0.00 C ATOM 534 CG ASP A 35 -14.137 10.088 -10.843 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.777 11.248 -10.723 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.456 9.581 -11.905 1.00 0.00 O ATOM 0 H ASP A 35 -11.699 8.684 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.382 10.855 -8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.909 8.195 -9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.216 9.182 -9.208 1.00 0.00 H new ATOM 541 N ASN A 36 -12.712 8.347 -6.555 1.00 0.00 N ATOM 542 CA ASN A 36 -13.052 7.686 -5.275 1.00 0.00 C ATOM 543 C ASN A 36 -12.029 7.971 -4.185 1.00 0.00 C ATOM 544 O ASN A 36 -10.835 7.774 -4.407 1.00 0.00 O ATOM 545 CB ASN A 36 -13.087 6.172 -5.498 1.00 0.00 C ATOM 546 CG ASN A 36 -13.704 5.490 -4.281 1.00 0.00 C ATOM 547 OD1 ASN A 36 -12.988 4.935 -3.448 1.00 0.00 O ATOM 548 ND2 ASN A 36 -15.001 5.502 -4.126 1.00 0.00 N ATOM 0 H ASN A 36 -11.775 8.152 -6.908 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.017 8.076 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.667 5.939 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.078 5.795 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.422 5.051 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.593 5.962 -4.817 1.00 0.00 H new ATOM 555 N GLU A 37 -12.458 8.397 -3.009 1.00 0.00 N ATOM 556 CA GLU A 37 -11.525 8.649 -1.921 1.00 0.00 C ATOM 557 C GLU A 37 -10.813 7.367 -1.483 1.00 0.00 C ATOM 558 O GLU A 37 -11.456 6.388 -1.105 1.00 0.00 O ATOM 559 CB GLU A 37 -12.347 9.123 -0.719 1.00 0.00 C ATOM 560 CG GLU A 37 -12.963 10.493 -1.019 1.00 0.00 C ATOM 561 CD GLU A 37 -11.878 11.564 -1.058 1.00 0.00 C ATOM 562 OE1 GLU A 37 -10.814 11.323 -0.510 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.124 12.608 -1.639 1.00 0.00 O ATOM 0 H GLU A 37 -13.437 8.575 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.786 9.376 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.133 8.401 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.713 9.185 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.488 10.462 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.702 10.742 -0.257 1.00 0.00 H new ATOM 570 N GLY A 38 -9.484 7.395 -1.494 1.00 0.00 N ATOM 571 CA GLY A 38 -8.710 6.230 -1.042 1.00 0.00 C ATOM 572 C GLY A 38 -7.992 6.489 0.276 1.00 0.00 C ATOM 573 O GLY A 38 -7.226 7.450 0.358 1.00 0.00 O ATOM 0 H GLY A 38 -8.925 8.190 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.377 5.375 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.979 5.964 -1.805 1.00 0.00 H new ATOM 577 N HIS A 39 -8.195 5.653 1.305 1.00 0.00 N ATOM 578 CA HIS A 39 -7.500 5.854 2.587 1.00 0.00 C ATOM 579 C HIS A 39 -6.606 4.644 2.844 1.00 0.00 C ATOM 580 O HIS A 39 -7.084 3.510 2.808 1.00 0.00 O ATOM 581 CB HIS A 39 -8.525 5.983 3.716 1.00 0.00 C ATOM 582 CG HIS A 39 -9.262 7.290 3.587 1.00 0.00 C ATOM 583 ND1 HIS A 39 -10.426 7.416 2.844 1.00 0.00 N ATOM 584 CD2 HIS A 39 -9.022 8.532 4.119 1.00 0.00 C ATOM 585 CE1 HIS A 39 -10.838 8.693 2.950 1.00 0.00 C ATOM 586 NE2 HIS A 39 -10.018 9.416 3.716 1.00 0.00 N ATOM 0 H HIS A 39 -8.820 4.848 1.279 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.901 6.764 2.549 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.229 5.152 3.677 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.024 5.931 4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.186 8.785 4.755 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.724 9.085 2.473 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.103 10.404 3.955 1.00 0.00 H new ATOM 594 N VAL A 40 -5.310 4.870 3.060 1.00 0.00 N ATOM 595 CA VAL A 40 -4.371 3.771 3.267 1.00 0.00 C ATOM 596 C VAL A 40 -3.789 3.778 4.677 1.00 0.00 C ATOM 597 O VAL A 40 -3.292 4.801 5.148 1.00 0.00 O ATOM 598 CB VAL A 40 -3.240 3.899 2.251 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.261 2.742 2.441 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.822 3.853 0.831 1.00 0.00 C ATOM 0 H VAL A 40 -4.890 5.799 3.096 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.907 2.831 3.137 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.719 4.845 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.451 2.829 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.851 2.774 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.782 1.796 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.015 3.944 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.340 2.906 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.524 4.676 0.699 1.00 0.00 H new ATOM 610 N SER A 41 -3.830 2.617 5.333 1.00 0.00 N ATOM 611 CA SER A 41 -3.274 2.479 6.686 1.00 0.00 C ATOM 612 C SER A 41 -2.263 1.340 6.725 1.00 0.00 C ATOM 613 O SER A 41 -2.478 0.284 6.127 1.00 0.00 O ATOM 614 CB SER A 41 -4.385 2.239 7.710 1.00 0.00 C ATOM 615 OG SER A 41 -3.811 2.102 9.003 1.00 0.00 O ATOM 0 H SER A 41 -4.239 1.762 4.955 1.00 0.00 H new ATOM 0 HA SER A 41 -2.768 3.409 6.945 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.091 3.070 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.946 1.341 7.451 1.00 0.00 H new ATOM 0 HG SER A 41 -4.521 1.950 9.662 1.00 0.00 H new ATOM 621 N VAL A 42 -1.164 1.553 7.456 1.00 0.00 N ATOM 622 CA VAL A 42 -0.126 0.524 7.591 1.00 0.00 C ATOM 623 C VAL A 42 0.208 0.326 9.064 1.00 0.00 C ATOM 624 O VAL A 42 0.475 1.288 9.784 1.00 0.00 O ATOM 625 CB VAL A 42 1.143 0.915 6.823 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.171 -0.217 6.927 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.811 1.181 5.349 1.00 0.00 C ATOM 0 H VAL A 42 -0.970 2.419 7.959 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.508 -0.406 7.170 1.00 0.00 H new ATOM 0 HB VAL A 42 1.557 1.825 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.073 0.060 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.418 -0.389 7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.753 -1.128 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.720 1.458 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.388 0.281 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.088 1.994 5.280 1.00 0.00 H new ATOM 637 N ARG A 43 0.184 -0.934 9.510 1.00 0.00 N ATOM 638 CA ARG A 43 0.480 -1.244 10.910 1.00 0.00 C ATOM 639 C ARG A 43 1.110 -2.624 11.046 1.00 0.00 C ATOM 640 O ARG A 43 0.973 -3.472 10.165 1.00 0.00 O ATOM 641 CB ARG A 43 -0.803 -1.193 11.741 1.00 0.00 C ATOM 642 CG ARG A 43 -1.777 -2.262 11.242 1.00 0.00 C ATOM 643 CD ARG A 43 -3.135 -2.072 11.921 1.00 0.00 C ATOM 644 NE ARG A 43 -4.069 -3.105 11.481 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.778 -2.968 10.366 1.00 0.00 C ATOM 646 NH1 ARG A 43 -4.681 -1.876 9.656 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.573 -3.928 9.979 1.00 0.00 N ATOM 0 H ARG A 43 -0.034 -1.745 8.931 1.00 0.00 H new ATOM 0 HA ARG A 43 1.187 -0.499 11.275 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.574 -1.358 12.794 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.259 -0.206 11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.887 -2.192 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.386 -3.256 11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.017 -2.115 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.534 -1.086 11.683 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.179 -3.950 12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.060 -1.125 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.227 -1.774 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.649 -4.781 10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.118 -3.825 9.123 1.00 0.00 H new ATOM 661 N TYR A 44 1.782 -2.850 12.170 1.00 0.00 N ATOM 662 CA TYR A 44 2.405 -4.141 12.430 1.00 0.00 C ATOM 663 C TYR A 44 1.351 -5.106 12.971 1.00 0.00 C ATOM 664 O TYR A 44 0.529 -4.737 13.811 1.00 0.00 O ATOM 665 CB TYR A 44 3.540 -4.008 13.451 1.00 0.00 C ATOM 666 CG TYR A 44 4.696 -3.226 12.865 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.408 -3.740 11.775 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.070 -1.995 13.426 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.489 -3.024 11.242 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.148 -1.281 12.894 1.00 0.00 C ATOM 671 CZ TYR A 44 6.858 -1.794 11.802 1.00 0.00 C ATOM 672 OH TYR A 44 7.922 -1.088 11.279 1.00 0.00 O ATOM 0 H TYR A 44 1.908 -2.160 12.911 1.00 0.00 H new ATOM 0 HA TYR A 44 2.823 -4.519 11.497 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.173 -3.508 14.347 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.881 -4.998 13.755 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.124 -4.689 11.344 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.524 -1.599 14.270 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.037 -3.420 10.400 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.433 -0.333 13.326 1.00 0.00 H new ATOM 0 HH TYR A 44 8.043 -0.257 11.784 1.00 0.00 H new ATOM 682 N ALA A 45 1.388 -6.346 12.477 1.00 0.00 N ATOM 683 CA ALA A 45 0.444 -7.385 12.893 1.00 0.00 C ATOM 684 C ALA A 45 1.187 -8.711 13.017 1.00 0.00 C ATOM 685 O ALA A 45 2.321 -8.830 12.555 1.00 0.00 O ATOM 686 CB ALA A 45 -0.679 -7.518 11.862 1.00 0.00 C ATOM 0 H ALA A 45 2.068 -6.656 11.783 1.00 0.00 H new ATOM 0 HA ALA A 45 0.007 -7.114 13.854 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.376 -8.293 12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.208 -6.569 11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.255 -7.787 10.895 1.00 0.00 H new ATOM 692 N ALA A 46 0.567 -9.709 13.642 1.00 0.00 N ATOM 693 CA ALA A 46 1.236 -10.998 13.794 1.00 0.00 C ATOM 694 C ALA A 46 1.569 -11.583 12.422 1.00 0.00 C ATOM 695 O ALA A 46 2.509 -12.368 12.296 1.00 0.00 O ATOM 696 CB ALA A 46 0.385 -11.974 14.611 1.00 0.00 C ATOM 0 H ALA A 46 -0.370 -9.655 14.041 1.00 0.00 H new ATOM 0 HA ALA A 46 2.165 -10.838 14.341 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.911 -12.924 14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.205 -11.558 15.602 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.568 -12.136 14.107 1.00 0.00 H new ATOM 702 N ALA A 47 0.788 -11.232 11.393 1.00 0.00 N ATOM 703 CA ALA A 47 1.026 -11.775 10.050 1.00 0.00 C ATOM 704 C ALA A 47 0.836 -10.726 8.958 1.00 0.00 C ATOM 705 O ALA A 47 0.013 -9.820 9.094 1.00 0.00 O ATOM 706 CB ALA A 47 0.082 -12.951 9.790 1.00 0.00 C ATOM 0 H ALA A 47 0.001 -10.587 11.461 1.00 0.00 H new ATOM 0 HA ALA A 47 2.064 -12.107 10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.264 -13.349 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.260 -13.731 10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.951 -12.611 9.863 1.00 0.00 H new ATOM 712 N ASN A 48 1.551 -10.893 7.848 1.00 0.00 N ATOM 713 CA ASN A 48 1.394 -9.992 6.714 1.00 0.00 C ATOM 714 C ASN A 48 0.026 -10.253 6.093 1.00 0.00 C ATOM 715 O ASN A 48 -0.306 -11.394 5.774 1.00 0.00 O ATOM 716 CB ASN A 48 2.488 -10.247 5.675 1.00 0.00 C ATOM 717 CG ASN A 48 2.291 -9.325 4.475 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.678 -8.081 4.543 1.00 0.00 O flip ATOM 719 ND2 ASN A 48 1.757 -9.749 3.449 1.00 0.00 N flip ATOM 0 H ASN A 48 2.237 -11.636 7.712 1.00 0.00 H new ATOM 0 HA ASN A 48 1.475 -8.957 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.469 -10.077 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.460 -11.288 5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.455 -10.722 3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.617 -9.127 2.652 1.00 0.00 H new ATOM 726 N ASN A 49 -0.767 -9.201 5.914 1.00 0.00 N ATOM 727 CA ASN A 49 -2.095 -9.337 5.321 1.00 0.00 C ATOM 728 C ASN A 49 -2.484 -8.055 4.597 1.00 0.00 C ATOM 729 O ASN A 49 -2.093 -6.959 4.997 1.00 0.00 O ATOM 730 CB ASN A 49 -3.135 -9.656 6.402 1.00 0.00 C ATOM 731 CG ASN A 49 -4.517 -9.778 5.768 1.00 0.00 C ATOM 732 OD1 ASN A 49 -5.312 -8.841 5.834 1.00 0.00 O ATOM 733 ND2 ASN A 49 -4.847 -10.873 5.140 1.00 0.00 N ATOM 0 H ASN A 49 -0.515 -8.246 6.170 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.067 -10.157 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.874 -10.585 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.140 -8.871 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.765 -10.953 4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.187 -11.649 5.086 1.00 0.00 H new ATOM 740 N LEU A 50 -3.279 -8.202 3.538 1.00 0.00 N ATOM 741 CA LEU A 50 -3.760 -7.064 2.753 1.00 0.00 C ATOM 742 C LEU A 50 -5.280 -7.173 2.697 1.00 0.00 C ATOM 743 O LEU A 50 -5.806 -8.185 2.230 1.00 0.00 O ATOM 744 CB LEU A 50 -3.162 -7.135 1.342 1.00 0.00 C ATOM 745 CG LEU A 50 -3.645 -5.953 0.481 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.153 -4.628 1.065 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.108 -6.110 -0.952 1.00 0.00 C ATOM 0 H LEU A 50 -3.607 -9.107 3.201 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.465 -6.114 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.074 -7.125 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.446 -8.075 0.869 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.735 -5.950 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.504 -3.804 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.541 -4.510 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.063 -4.624 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.449 -5.274 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.018 -6.124 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.475 -7.044 -1.378 1.00 0.00 H new ATOM 759 N SER A 51 -5.992 -6.143 3.155 1.00 0.00 N ATOM 760 CA SER A 51 -7.459 -6.160 3.129 1.00 0.00 C ATOM 761 C SER A 51 -7.983 -4.958 2.352 1.00 0.00 C ATOM 762 O SER A 51 -7.593 -3.821 2.623 1.00 0.00 O ATOM 763 CB SER A 51 -7.994 -6.096 4.560 1.00 0.00 C ATOM 764 OG SER A 51 -7.580 -7.258 5.267 1.00 0.00 O ATOM 0 H SER A 51 -5.584 -5.293 3.545 1.00 0.00 H new ATOM 0 HA SER A 51 -7.793 -7.078 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.624 -5.201 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.082 -6.029 4.551 1.00 0.00 H new ATOM 0 HG SER A 51 -6.602 -7.316 5.257 1.00 0.00 H new ATOM 770 N VAL A 52 -8.888 -5.204 1.405 1.00 0.00 N ATOM 771 CA VAL A 52 -9.489 -4.132 0.612 1.00 0.00 C ATOM 772 C VAL A 52 -11.006 -4.189 0.772 1.00 0.00 C ATOM 773 O VAL A 52 -11.617 -5.226 0.518 1.00 0.00 O ATOM 774 CB VAL A 52 -9.106 -4.294 -0.861 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.804 -3.220 -1.695 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.590 -4.155 -1.016 1.00 0.00 C ATOM 0 H VAL A 52 -9.222 -6.138 1.168 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.122 -3.166 0.960 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.417 -5.280 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.529 -3.338 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.884 -3.322 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.497 -2.233 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.319 -4.271 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.277 -3.171 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.092 -4.924 -0.426 1.00 0.00 H new ATOM 786 N ILE A 53 -11.616 -3.076 1.192 1.00 0.00 N ATOM 787 CA ILE A 53 -13.074 -3.023 1.375 1.00 0.00 C ATOM 788 C ILE A 53 -13.693 -1.956 0.481 1.00 0.00 C ATOM 789 O ILE A 53 -13.295 -0.791 0.521 1.00 0.00 O ATOM 790 CB ILE A 53 -13.414 -2.702 2.840 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.846 -3.798 3.782 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.938 -2.586 2.993 1.00 0.00 C ATOM 793 CD1 ILE A 53 -13.863 -4.932 4.009 1.00 0.00 C ATOM 0 H ILE A 53 -11.130 -2.206 1.410 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.481 -3.998 1.106 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.956 -1.753 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.932 -4.209 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.577 -3.352 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.183 -2.358 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.309 -1.788 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.405 -3.529 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -13.431 -5.681 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.767 -4.525 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.112 -5.394 3.054 1.00 0.00 H new ATOM 805 N GLY A 54 -14.689 -2.355 -0.315 1.00 0.00 N ATOM 806 CA GLY A 54 -15.380 -1.416 -1.200 1.00 0.00 C ATOM 807 C GLY A 54 -14.822 -1.439 -2.621 1.00 0.00 C ATOM 808 O GLY A 54 -15.038 -0.489 -3.375 1.00 0.00 O ATOM 0 H GLY A 54 -15.032 -3.314 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.442 -1.659 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.294 -0.408 -0.795 1.00 0.00 H new ATOM 812 N ALA A 55 -14.089 -2.499 -2.992 1.00 0.00 N ATOM 813 CA ALA A 55 -13.500 -2.576 -4.342 1.00 0.00 C ATOM 814 C ALA A 55 -13.938 -3.832 -5.094 1.00 0.00 C ATOM 815 O ALA A 55 -14.382 -4.821 -4.511 1.00 0.00 O ATOM 816 CB ALA A 55 -11.967 -2.540 -4.245 1.00 0.00 C ATOM 0 H ALA A 55 -13.891 -3.300 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.860 -1.714 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.538 -2.597 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.654 -1.611 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.620 -3.386 -3.652 1.00 0.00 H new ATOM 822 N THR A 56 -13.754 -3.758 -6.412 1.00 0.00 N ATOM 823 CA THR A 56 -14.049 -4.830 -7.353 1.00 0.00 C ATOM 824 C THR A 56 -12.806 -5.686 -7.567 1.00 0.00 C ATOM 825 O THR A 56 -11.686 -5.259 -7.289 1.00 0.00 O ATOM 826 CB THR A 56 -14.447 -4.198 -8.690 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.362 -3.425 -9.186 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.664 -3.296 -8.484 1.00 0.00 C ATOM 0 H THR A 56 -13.384 -2.923 -6.865 1.00 0.00 H new ATOM 0 HA THR A 56 -14.854 -5.453 -6.963 1.00 0.00 H new ATOM 0 HB THR A 56 -14.694 -4.982 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.484 -2.487 -8.928 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.948 -2.846 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.495 -3.888 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.418 -2.510 -7.770 1.00 0.00 H new ATOM 836 N LYS A 57 -13.024 -6.920 -8.022 1.00 0.00 N ATOM 837 CA LYS A 57 -11.923 -7.865 -8.224 1.00 0.00 C ATOM 838 C LYS A 57 -10.863 -7.331 -9.186 1.00 0.00 C ATOM 839 O LYS A 57 -9.669 -7.487 -8.928 1.00 0.00 O ATOM 840 CB LYS A 57 -12.461 -9.217 -8.750 1.00 0.00 C ATOM 841 CG LYS A 57 -11.316 -10.225 -8.975 1.00 0.00 C ATOM 842 CD LYS A 57 -11.900 -11.539 -9.494 1.00 0.00 C ATOM 843 CE LYS A 57 -10.764 -12.453 -9.955 1.00 0.00 C ATOM 844 NZ LYS A 57 -11.321 -13.774 -10.361 1.00 0.00 N ATOM 0 H LYS A 57 -13.946 -7.288 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.449 -8.006 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.176 -9.628 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.998 -9.058 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.598 -9.824 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.777 -10.395 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.479 -12.027 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.583 -11.345 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.234 -11.998 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.039 -12.584 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.548 -14.395 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.808 -14.209 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.996 -13.641 -11.141 1.00 0.00 H new ATOM 858 N GLU A 58 -11.267 -6.690 -10.279 1.00 0.00 N ATOM 859 CA GLU A 58 -10.298 -6.141 -11.223 1.00 0.00 C ATOM 860 C GLU A 58 -9.491 -5.035 -10.562 1.00 0.00 C ATOM 861 O GLU A 58 -8.287 -4.913 -10.785 1.00 0.00 O ATOM 862 CB GLU A 58 -11.032 -5.584 -12.446 1.00 0.00 C ATOM 863 CG GLU A 58 -10.022 -5.095 -13.487 1.00 0.00 C ATOM 864 CD GLU A 58 -10.764 -4.542 -14.699 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.974 -4.401 -14.614 1.00 0.00 O ATOM 866 OE2 GLU A 58 -10.114 -4.266 -15.694 1.00 0.00 O ATOM 0 H GLU A 58 -12.244 -6.539 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.619 -6.934 -11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.669 -6.355 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.684 -4.763 -12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.384 -4.324 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.371 -5.915 -13.790 1.00 0.00 H new ATOM 873 N ASP A 59 -10.164 -4.234 -9.730 1.00 0.00 N ATOM 874 CA ASP A 59 -9.496 -3.152 -9.025 1.00 0.00 C ATOM 875 C ASP A 59 -8.458 -3.740 -8.079 1.00 0.00 C ATOM 876 O ASP A 59 -7.331 -3.257 -7.982 1.00 0.00 O ATOM 877 CB ASP A 59 -10.515 -2.337 -8.231 1.00 0.00 C ATOM 878 CG ASP A 59 -11.406 -1.545 -9.183 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.001 -1.349 -10.316 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.484 -1.155 -8.765 1.00 0.00 O ATOM 0 H ASP A 59 -11.161 -4.318 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.007 -2.496 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.124 -3.000 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.000 -1.658 -7.552 1.00 0.00 H new ATOM 885 N LYS A 60 -8.869 -4.792 -7.385 1.00 0.00 N ATOM 886 CA LYS A 60 -7.988 -5.461 -6.438 1.00 0.00 C ATOM 887 C LYS A 60 -6.765 -6.041 -7.137 1.00 0.00 C ATOM 888 O LYS A 60 -5.657 -5.944 -6.609 1.00 0.00 O ATOM 889 CB LYS A 60 -8.734 -6.561 -5.683 1.00 0.00 C ATOM 890 CG LYS A 60 -9.746 -5.932 -4.727 1.00 0.00 C ATOM 891 CD LYS A 60 -10.489 -7.036 -3.974 1.00 0.00 C ATOM 892 CE LYS A 60 -11.646 -6.425 -3.183 1.00 0.00 C ATOM 893 NZ LYS A 60 -12.298 -7.483 -2.362 1.00 0.00 N ATOM 0 H LYS A 60 -9.801 -5.199 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.650 -4.714 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.244 -7.218 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.028 -7.177 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.237 -5.275 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.453 -5.316 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.867 -7.779 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.807 -7.553 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.279 -5.625 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.371 -5.979 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.085 -7.069 -1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.661 -8.232 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.603 -7.888 -1.703 1.00 0.00 H new ATOM 907 N GLN A 61 -6.927 -6.617 -8.324 1.00 0.00 N ATOM 908 CA GLN A 61 -5.771 -7.151 -9.031 1.00 0.00 C ATOM 909 C GLN A 61 -4.844 -5.996 -9.389 1.00 0.00 C ATOM 910 O GLN A 61 -3.628 -6.106 -9.244 1.00 0.00 O ATOM 911 CB GLN A 61 -6.224 -7.891 -10.291 1.00 0.00 C ATOM 912 CG GLN A 61 -6.941 -9.180 -9.885 1.00 0.00 C ATOM 913 CD GLN A 61 -7.450 -9.911 -11.123 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.698 -9.289 -12.155 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.624 -11.203 -11.078 1.00 0.00 N ATOM 0 H GLN A 61 -7.820 -6.724 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.239 -7.860 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.890 -7.259 -10.879 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.365 -8.121 -10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.260 -9.824 -9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.775 -8.948 -9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.417 -11.716 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.967 -11.700 -11.900 1.00 0.00 H new ATOM 924 N ARG A 62 -5.416 -4.881 -9.867 1.00 0.00 N ATOM 925 CA ARG A 62 -4.599 -3.733 -10.240 1.00 0.00 C ATOM 926 C ARG A 62 -3.812 -3.235 -9.029 1.00 0.00 C ATOM 927 O ARG A 62 -2.614 -2.973 -9.125 1.00 0.00 O ATOM 928 CB ARG A 62 -5.463 -2.608 -10.826 1.00 0.00 C ATOM 929 CG ARG A 62 -4.582 -1.402 -11.176 1.00 0.00 C ATOM 930 CD ARG A 62 -5.400 -0.381 -11.969 1.00 0.00 C ATOM 931 NE ARG A 62 -4.609 0.824 -12.199 1.00 0.00 N ATOM 932 CZ ARG A 62 -3.739 0.897 -13.203 1.00 0.00 C ATOM 933 NH1 ARG A 62 -4.167 0.888 -14.435 1.00 0.00 N ATOM 934 NH2 ARG A 62 -2.460 0.974 -12.956 1.00 0.00 N ATOM 0 H ARG A 62 -6.420 -4.757 -10.000 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.895 -4.047 -11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.981 -2.962 -11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.229 -2.314 -10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.196 -0.945 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.721 -1.726 -11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.708 -0.811 -12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.310 -0.130 -11.424 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.725 1.625 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.167 0.825 -14.627 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.502 0.944 -15.206 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.126 0.978 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.794 1.030 -13.727 1.00 0.00 H new ATOM 948 N ILE A 63 -4.490 -3.105 -7.895 1.00 0.00 N ATOM 949 CA ILE A 63 -3.818 -2.636 -6.688 1.00 0.00 C ATOM 950 C ILE A 63 -2.680 -3.573 -6.300 1.00 0.00 C ATOM 951 O ILE A 63 -1.589 -3.115 -5.958 1.00 0.00 O ATOM 952 CB ILE A 63 -4.797 -2.456 -5.530 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.725 -1.272 -5.832 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.023 -2.178 -4.231 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.934 -1.320 -4.899 1.00 0.00 C ATOM 0 H ILE A 63 -5.483 -3.312 -7.785 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.393 -1.657 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.385 -3.366 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.188 -0.333 -5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.053 -1.309 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.727 -2.050 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.361 -3.017 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.432 -1.270 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.593 -0.479 -5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.475 -2.253 -5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.597 -1.262 -3.864 1.00 0.00 H new ATOM 967 N SER A 64 -2.908 -4.873 -6.387 1.00 0.00 N ATOM 968 CA SER A 64 -1.838 -5.806 -6.071 1.00 0.00 C ATOM 969 C SER A 64 -0.699 -5.518 -7.034 1.00 0.00 C ATOM 970 O SER A 64 0.456 -5.466 -6.616 1.00 0.00 O ATOM 971 CB SER A 64 -2.317 -7.248 -6.242 1.00 0.00 C ATOM 972 OG SER A 64 -2.591 -7.492 -7.616 1.00 0.00 O ATOM 0 H SER A 64 -3.793 -5.297 -6.664 1.00 0.00 H new ATOM 0 HA SER A 64 -1.517 -5.686 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.557 -7.941 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.213 -7.419 -5.645 1.00 0.00 H new ATOM 0 HG SER A 64 -3.089 -6.735 -7.990 1.00 0.00 H new ATOM 978 N GLU A 65 -0.999 -5.310 -8.326 1.00 0.00 N ATOM 979 CA GLU A 65 0.051 -5.015 -9.288 1.00 0.00 C ATOM 980 C GLU A 65 0.780 -3.734 -8.876 1.00 0.00 C ATOM 981 O GLU A 65 2.007 -3.673 -8.919 1.00 0.00 O ATOM 982 CB GLU A 65 -0.519 -4.888 -10.699 1.00 0.00 C ATOM 983 CG GLU A 65 -0.966 -6.267 -11.190 1.00 0.00 C ATOM 984 CD GLU A 65 -1.683 -6.140 -12.529 1.00 0.00 C ATOM 985 OE1 GLU A 65 -2.083 -5.037 -12.861 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.823 -7.148 -13.201 1.00 0.00 O ATOM 0 H GLU A 65 -1.942 -5.341 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 65 0.763 -5.840 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.362 -4.197 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.233 -4.476 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.101 -6.923 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.629 -6.726 -10.456 1.00 0.00 H new ATOM 993 N ILE A 66 0.026 -2.717 -8.468 1.00 0.00 N ATOM 994 CA ILE A 66 0.635 -1.457 -8.046 1.00 0.00 C ATOM 995 C ILE A 66 1.570 -1.681 -6.862 1.00 0.00 C ATOM 996 O ILE A 66 2.693 -1.176 -6.841 1.00 0.00 O ATOM 997 CB ILE A 66 -0.458 -0.441 -7.675 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.187 -0.001 -8.954 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.174 0.782 -7.001 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.409 0.860 -8.605 1.00 0.00 C ATOM 0 H ILE A 66 -0.993 -2.738 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 66 1.221 -1.061 -8.876 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.164 -0.902 -6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.507 0.563 -9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.502 -0.877 -9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.606 1.498 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.696 0.470 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.882 1.250 -7.686 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.914 1.163 -9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.096 0.283 -7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.086 1.746 -8.059 1.00 0.00 H new ATOM 1012 N LEU A 67 1.103 -2.442 -5.886 1.00 0.00 N ATOM 1013 CA LEU A 67 1.917 -2.717 -4.724 1.00 0.00 C ATOM 1014 C LEU A 67 3.185 -3.417 -5.172 1.00 0.00 C ATOM 1015 O LEU A 67 4.277 -3.094 -4.706 1.00 0.00 O ATOM 1016 CB LEU A 67 1.146 -3.597 -3.719 1.00 0.00 C ATOM 1017 CG LEU A 67 2.081 -4.178 -2.630 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.612 -3.062 -1.714 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.288 -5.187 -1.791 1.00 0.00 C ATOM 0 H LEU A 67 0.178 -2.873 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 67 2.169 -1.781 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.360 -3.007 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.656 -4.413 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 67 2.931 -4.663 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.267 -3.493 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.171 -2.339 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.775 -2.561 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.934 -5.605 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.441 -4.685 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.925 -5.989 -2.434 1.00 0.00 H new ATOM 1031 N GLN A 68 3.046 -4.344 -6.101 1.00 0.00 N ATOM 1032 CA GLN A 68 4.212 -5.029 -6.612 1.00 0.00 C ATOM 1033 C GLN A 68 5.170 -4.033 -7.266 1.00 0.00 C ATOM 1034 O GLN A 68 6.362 -4.042 -6.972 1.00 0.00 O ATOM 1035 CB GLN A 68 3.805 -6.116 -7.613 1.00 0.00 C ATOM 1036 CG GLN A 68 3.129 -7.271 -6.867 1.00 0.00 C ATOM 1037 CD GLN A 68 2.670 -8.337 -7.857 1.00 0.00 C ATOM 1038 OE1 GLN A 68 2.506 -8.054 -9.043 1.00 0.00 O ATOM 1039 NE2 GLN A 68 2.452 -9.554 -7.437 1.00 0.00 N ATOM 0 H GLN A 68 2.157 -4.634 -6.508 1.00 0.00 H new ATOM 0 HA GLN A 68 4.724 -5.507 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.125 -5.703 -8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.682 -6.479 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.824 -7.706 -6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.276 -6.898 -6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.589 -9.786 -6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.145 -10.272 -8.093 1.00 0.00 H new ATOM 1048 N GLU A 69 4.669 -3.189 -8.170 1.00 0.00 N ATOM 1049 CA GLU A 69 5.535 -2.231 -8.859 1.00 0.00 C ATOM 1050 C GLU A 69 6.175 -1.207 -7.919 1.00 0.00 C ATOM 1051 O GLU A 69 7.373 -0.947 -8.020 1.00 0.00 O ATOM 1052 CB GLU A 69 4.738 -1.520 -9.953 1.00 0.00 C ATOM 1053 CG GLU A 69 4.300 -2.553 -10.995 1.00 0.00 C ATOM 1054 CD GLU A 69 3.500 -1.881 -12.106 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.000 -0.793 -11.874 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.400 -2.466 -13.173 1.00 0.00 O ATOM 0 H GLU A 69 3.686 -3.149 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 69 6.357 -2.798 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.867 -1.024 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.347 -0.746 -10.421 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.175 -3.048 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.696 -3.325 -10.519 1.00 0.00 H new ATOM 1063 N THR A 70 5.399 -0.623 -7.004 1.00 0.00 N ATOM 1064 CA THR A 70 5.967 0.358 -6.078 1.00 0.00 C ATOM 1065 C THR A 70 7.062 -0.302 -5.269 1.00 0.00 C ATOM 1066 O THR A 70 8.156 0.232 -5.098 1.00 0.00 O ATOM 1067 CB THR A 70 4.892 0.902 -5.146 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.871 1.530 -5.909 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.512 1.921 -4.183 1.00 0.00 C ATOM 0 H THR A 70 4.402 -0.805 -6.885 1.00 0.00 H new ATOM 0 HA THR A 70 6.378 1.190 -6.649 1.00 0.00 H new ATOM 0 HB THR A 70 4.462 0.079 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.327 0.846 -6.353 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.741 2.309 -3.517 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.291 1.437 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.946 2.743 -4.753 1.00 0.00 H new ATOM 1077 N TRP A 71 6.723 -1.479 -4.771 1.00 0.00 N ATOM 1078 CA TRP A 71 7.627 -2.266 -3.959 1.00 0.00 C ATOM 1079 C TRP A 71 8.896 -2.559 -4.748 1.00 0.00 C ATOM 1080 O TRP A 71 9.992 -2.522 -4.189 1.00 0.00 O ATOM 1081 CB TRP A 71 6.859 -3.526 -3.537 1.00 0.00 C ATOM 1082 CG TRP A 71 7.649 -4.384 -2.594 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.909 -5.698 -2.790 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.245 -4.039 -1.300 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.658 -6.171 -1.729 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.891 -5.191 -0.787 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.305 -2.855 -0.534 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.568 -5.169 0.433 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 8.983 -2.835 0.696 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.615 -3.988 1.176 1.00 0.00 C ATOM 0 H TRP A 71 5.812 -1.914 -4.920 1.00 0.00 H new ATOM 0 HA TRP A 71 7.953 -1.741 -3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 71 5.922 -3.236 -3.062 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.601 -4.106 -4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.584 -6.282 -3.638 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.998 -7.130 -1.652 1.00 0.00 H new ATOM 0 HE3 TRP A 71 7.826 -1.957 -0.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.053 -6.061 0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.017 -1.924 1.275 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.139 -3.964 2.120 1.00 0.00 H new ATOM 1101 N GLU A 72 8.769 -2.853 -6.032 1.00 0.00 N ATOM 1102 CA GLU A 72 9.935 -3.152 -6.866 1.00 0.00 C ATOM 1103 C GLU A 72 10.732 -1.891 -7.214 1.00 0.00 C ATOM 1104 O GLU A 72 11.875 -2.008 -7.659 1.00 0.00 O ATOM 1105 CB GLU A 72 9.523 -3.886 -8.144 1.00 0.00 C ATOM 1106 CG GLU A 72 9.110 -5.321 -7.802 1.00 0.00 C ATOM 1107 CD GLU A 72 8.653 -6.046 -9.062 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.404 -5.375 -10.050 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.562 -7.262 -9.021 1.00 0.00 O ATOM 0 H GLU A 72 7.876 -2.892 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 72 10.583 -3.803 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.696 -3.364 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.350 -3.894 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.948 -5.852 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.306 -5.311 -7.066 1.00 0.00 H new ATOM 1116 N SER A 73 10.155 -0.685 -7.044 1.00 0.00 N ATOM 1117 CA SER A 73 10.885 0.551 -7.392 1.00 0.00 C ATOM 1118 C SER A 73 11.310 1.316 -6.143 1.00 0.00 C ATOM 1119 O SER A 73 11.488 2.534 -6.178 1.00 0.00 O ATOM 1120 CB SER A 73 10.005 1.446 -8.263 1.00 0.00 C ATOM 1121 OG SER A 73 8.801 1.742 -7.565 1.00 0.00 O ATOM 0 H SER A 73 9.214 -0.541 -6.679 1.00 0.00 H new ATOM 0 HA SER A 73 11.783 0.267 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.533 2.368 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.779 0.948 -9.206 1.00 0.00 H new ATOM 0 HG SER A 73 8.207 0.963 -7.593 1.00 0.00 H new ATOM 1127 N ALA A 74 11.407 0.604 -5.030 1.00 0.00 N ATOM 1128 CA ALA A 74 11.735 1.199 -3.741 1.00 0.00 C ATOM 1129 C ALA A 74 13.007 2.056 -3.708 1.00 0.00 C ATOM 1130 O ALA A 74 13.074 3.029 -2.973 1.00 0.00 O ATOM 1131 CB ALA A 74 11.892 0.067 -2.719 1.00 0.00 C ATOM 0 H ALA A 74 11.260 -0.405 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 74 10.916 1.881 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.138 0.488 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.958 -0.491 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.691 -0.602 -3.037 1.00 0.00 H new ATOM 1137 N ASP A 75 14.017 1.693 -4.486 1.00 0.00 N ATOM 1138 CA ASP A 75 15.276 2.446 -4.484 1.00 0.00 C ATOM 1139 C ASP A 75 15.124 3.849 -5.085 1.00 0.00 C ATOM 1140 O ASP A 75 15.965 4.715 -4.845 1.00 0.00 O ATOM 1141 CB ASP A 75 16.328 1.677 -5.287 1.00 0.00 C ATOM 1142 CG ASP A 75 16.744 0.417 -4.535 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.547 0.375 -3.332 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.252 -0.489 -5.175 1.00 0.00 O ATOM 0 H ASP A 75 13.997 0.894 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 75 15.582 2.560 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.927 1.410 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.198 2.310 -5.461 1.00 0.00 H new ATOM 1149 N ASP A 76 14.081 4.076 -5.877 1.00 0.00 N ATOM 1150 CA ASP A 76 13.878 5.384 -6.513 1.00 0.00 C ATOM 1151 C ASP A 76 13.003 6.321 -5.673 1.00 0.00 C ATOM 1152 O ASP A 76 13.331 7.499 -5.526 1.00 0.00 O ATOM 1153 CB ASP A 76 13.233 5.189 -7.886 1.00 0.00 C ATOM 1154 CG ASP A 76 14.231 4.553 -8.846 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.407 4.858 -8.733 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.808 3.768 -9.678 1.00 0.00 O ATOM 0 H ASP A 76 13.366 3.382 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 76 14.858 5.851 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.350 4.557 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.899 6.149 -8.279 1.00 0.00 H new ATOM 1161 N TRP A 77 11.881 5.832 -5.157 1.00 0.00 N ATOM 1162 CA TRP A 77 10.980 6.696 -4.383 1.00 0.00 C ATOM 1163 C TRP A 77 11.272 6.710 -2.880 1.00 0.00 C ATOM 1164 O TRP A 77 10.892 7.662 -2.199 1.00 0.00 O ATOM 1165 CB TRP A 77 9.520 6.302 -4.627 1.00 0.00 C ATOM 1166 CG TRP A 77 9.180 5.024 -3.907 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.090 3.793 -4.489 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.875 4.821 -2.483 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.740 2.868 -3.528 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.599 3.443 -2.285 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.802 5.673 -1.345 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.267 2.936 -1.031 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.469 5.152 -0.094 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.203 3.795 0.062 1.00 0.00 C ATOM 0 H TRP A 77 11.573 4.864 -5.254 1.00 0.00 H new ATOM 0 HA TRP A 77 11.161 7.710 -4.741 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.862 7.102 -4.287 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.346 6.179 -5.696 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.265 3.578 -5.533 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.602 1.875 -3.716 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.005 6.728 -1.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.061 1.883 -0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.417 5.809 0.762 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.946 3.407 1.036 1.00 0.00 H new ATOM 1185 N PHE A 78 11.974 5.707 -2.355 1.00 0.00 N ATOM 1186 CA PHE A 78 12.288 5.713 -0.918 1.00 0.00 C ATOM 1187 C PHE A 78 13.582 6.464 -0.651 1.00 0.00 C ATOM 1188 O PHE A 78 14.610 6.208 -1.278 1.00 0.00 O ATOM 1189 CB PHE A 78 12.415 4.293 -0.356 1.00 0.00 C ATOM 1190 CG PHE A 78 12.779 4.377 1.119 1.00 0.00 C ATOM 1191 CD1 PHE A 78 11.878 4.948 2.031 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.024 3.903 1.575 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.218 5.043 3.386 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.356 3.998 2.930 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.455 4.567 3.834 1.00 0.00 C ATOM 0 H PHE A 78 12.328 4.905 -2.876 1.00 0.00 H new ATOM 0 HA PHE A 78 11.459 6.215 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.477 3.752 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.179 3.739 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.922 5.314 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.723 3.466 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.524 5.484 4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.310 3.631 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.714 4.639 4.880 1.00 0.00 H new ATOM 1205 N VAL A 79 13.511 7.405 0.285 1.00 0.00 N ATOM 1206 CA VAL A 79 14.654 8.234 0.661 1.00 0.00 C ATOM 1207 C VAL A 79 14.905 8.073 2.162 1.00 0.00 C ATOM 1208 O VAL A 79 13.960 7.839 2.917 1.00 0.00 O ATOM 1209 CB VAL A 79 14.327 9.704 0.324 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.613 10.482 0.020 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.401 9.751 -0.905 1.00 0.00 C ATOM 0 H VAL A 79 12.659 7.616 0.805 1.00 0.00 H new ATOM 0 HA VAL A 79 15.549 7.932 0.117 1.00 0.00 H new ATOM 0 HB VAL A 79 13.832 10.161 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.365 11.517 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.269 10.455 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.121 10.028 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.168 10.788 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.900 9.285 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.478 9.213 -0.686 1.00 0.00 H new