USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 31 THR OG1 : rot 30:sc= 0.294 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.052 USER MOD Single : A 42 GLN : amide:sc= -0.659 K(o=-0.66,f=-2.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.179 X(o=0.18,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0677) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -161:sc= -1.15 (180deg=-1.48) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 144:sc= 1.19 (180deg=0.362) USER MOD Single : A 64 TYR OH : rot -90:sc=-0.00953 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 19:sc= 0.329 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0.0883 USER MOD Single : B 42 GLN : amide:sc= -1.25 K(o=-1.3,f=-5.3!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.32 X(o=0.32,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl -177:sc= -1.14 (180deg=-1.17) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot 30:sc= -0.019 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -8.107 13.723 -12.563 1.00 0.00 N ATOM 2 CA THR A 31 -7.620 12.334 -12.647 1.00 0.00 C ATOM 3 C THR A 31 -6.829 11.960 -11.389 1.00 0.00 C ATOM 4 O THR A 31 -6.252 12.831 -10.730 1.00 0.00 O ATOM 5 CB THR A 31 -6.726 12.174 -13.895 1.00 0.00 C ATOM 6 OG1 THR A 31 -7.308 12.806 -15.021 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.473 10.725 -14.305 1.00 0.00 C ATOM 0 HA THR A 31 -8.479 11.667 -12.725 1.00 0.00 H new ATOM 0 HB THR A 31 -5.781 12.631 -13.603 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.845 13.571 -14.726 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.837 10.703 -15.190 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.979 10.197 -13.489 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.423 10.239 -14.529 1.00 0.00 H new ATOM 15 N ARG A 32 -6.753 10.667 -11.049 1.00 0.00 N ATOM 16 CA ARG A 32 -6.017 10.157 -9.880 1.00 0.00 C ATOM 17 C ARG A 32 -4.544 9.932 -10.216 1.00 0.00 C ATOM 18 O ARG A 32 -4.097 8.810 -10.456 1.00 0.00 O ATOM 19 CB ARG A 32 -6.711 8.908 -9.308 1.00 0.00 C ATOM 20 CG ARG A 32 -8.129 9.190 -8.784 1.00 0.00 C ATOM 21 CD ARG A 32 -8.127 10.162 -7.599 1.00 0.00 C ATOM 22 NE ARG A 32 -9.442 10.185 -6.938 1.00 0.00 N ATOM 23 CZ ARG A 32 -9.748 10.737 -5.779 1.00 0.00 C ATOM 24 NH1 ARG A 32 -8.883 11.398 -5.063 1.00 0.00 N ATOM 25 NH2 ARG A 32 -10.959 10.630 -5.325 1.00 0.00 N ATOM 0 H ARG A 32 -7.209 9.930 -11.587 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.034 10.909 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.762 8.142 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.105 8.502 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.736 9.603 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.596 8.252 -8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.360 9.867 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.872 11.164 -7.945 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.204 9.721 -7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.924 11.506 -5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.165 11.808 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.662 10.123 -5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.207 11.052 -4.430 1.00 0.00 H new ATOM 39 N ALA A 33 -3.802 11.037 -10.236 1.00 0.00 N ATOM 40 CA ALA A 33 -2.344 11.076 -10.284 1.00 0.00 C ATOM 41 C ALA A 33 -1.734 10.363 -9.060 1.00 0.00 C ATOM 42 O ALA A 33 -2.087 10.673 -7.918 1.00 0.00 O ATOM 43 CB ALA A 33 -1.919 12.547 -10.342 1.00 0.00 C ATOM 0 H ALA A 33 -4.219 11.968 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.979 10.549 -11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.831 12.610 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.340 13.012 -11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.283 13.066 -9.455 1.00 0.00 H new ATOM 49 N VAL A 34 -0.820 9.416 -9.289 1.00 0.00 N ATOM 50 CA VAL A 34 -0.122 8.627 -8.267 1.00 0.00 C ATOM 51 C VAL A 34 1.334 8.459 -8.657 1.00 0.00 C ATOM 52 O VAL A 34 1.659 7.775 -9.623 1.00 0.00 O ATOM 53 CB VAL A 34 -0.786 7.268 -7.979 1.00 0.00 C ATOM 54 CG1 VAL A 34 0.005 6.508 -6.906 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.231 7.421 -7.483 1.00 0.00 C ATOM 0 H VAL A 34 -0.532 9.166 -10.235 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.187 9.183 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.792 6.719 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.475 5.549 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.024 6.340 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.029 7.095 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.657 6.436 -7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.240 8.003 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.824 7.933 -8.241 1.00 0.00 H new ATOM 65 N SER A 35 2.197 9.116 -7.890 1.00 0.00 N ATOM 66 CA SER A 35 3.652 9.163 -8.043 1.00 0.00 C ATOM 67 C SER A 35 4.365 8.448 -6.890 1.00 0.00 C ATOM 68 O SER A 35 4.172 8.789 -5.720 1.00 0.00 O ATOM 69 CB SER A 35 4.091 10.621 -8.152 1.00 0.00 C ATOM 70 OG SER A 35 5.489 10.726 -8.367 1.00 0.00 O ATOM 0 H SER A 35 1.881 9.667 -7.092 1.00 0.00 H new ATOM 0 HA SER A 35 3.932 8.634 -8.954 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.558 11.103 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.821 11.153 -7.240 1.00 0.00 H new ATOM 0 HG SER A 35 5.740 11.671 -8.434 1.00 0.00 H new ATOM 76 N LEU A 36 5.152 7.420 -7.224 1.00 0.00 N ATOM 77 CA LEU A 36 5.781 6.469 -6.303 1.00 0.00 C ATOM 78 C LEU A 36 7.267 6.238 -6.626 1.00 0.00 C ATOM 79 O LEU A 36 7.770 6.614 -7.688 1.00 0.00 O ATOM 80 CB LEU A 36 4.987 5.143 -6.340 1.00 0.00 C ATOM 81 CG LEU A 36 3.535 5.257 -5.840 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.782 3.960 -6.130 1.00 0.00 C ATOM 83 CD2 LEU A 36 3.457 5.530 -4.338 1.00 0.00 C ATOM 0 H LEU A 36 5.379 7.219 -8.198 1.00 0.00 H new ATOM 0 HA LEU A 36 5.754 6.888 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.978 4.768 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.510 4.403 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 36 3.085 6.097 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.756 4.048 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.779 3.774 -7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.274 3.132 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.412 5.602 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.937 4.716 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.966 6.467 -4.112 1.00 0.00 H new ATOM 95 N TYR A 37 7.957 5.583 -5.689 1.00 0.00 N ATOM 96 CA TYR A 37 9.410 5.420 -5.635 1.00 0.00 C ATOM 97 C TYR A 37 9.782 3.941 -5.480 1.00 0.00 C ATOM 98 O TYR A 37 9.835 3.394 -4.377 1.00 0.00 O ATOM 99 CB TYR A 37 9.969 6.308 -4.515 1.00 0.00 C ATOM 100 CG TYR A 37 9.943 7.783 -4.868 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.978 8.322 -5.654 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.875 8.605 -4.456 1.00 0.00 C ATOM 103 CE1 TYR A 37 10.962 9.680 -6.016 1.00 0.00 C ATOM 104 CE2 TYR A 37 8.843 9.963 -4.831 1.00 0.00 C ATOM 105 CZ TYR A 37 9.892 10.507 -5.609 1.00 0.00 C ATOM 106 OH TYR A 37 9.879 11.819 -5.970 1.00 0.00 O ATOM 0 H TYR A 37 7.490 5.127 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 37 9.865 5.744 -6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.390 6.146 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.994 6.009 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.789 7.689 -5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.080 8.194 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.768 10.091 -6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.018 10.589 -4.524 1.00 0.00 H new ATOM 0 HH TYR A 37 9.075 12.249 -5.612 1.00 0.00 H new ATOM 116 N PHE A 38 9.970 3.282 -6.623 1.00 0.00 N ATOM 117 CA PHE A 38 10.353 1.882 -6.775 1.00 0.00 C ATOM 118 C PHE A 38 11.880 1.689 -6.670 1.00 0.00 C ATOM 119 O PHE A 38 12.638 2.660 -6.564 1.00 0.00 O ATOM 120 CB PHE A 38 9.794 1.432 -8.136 1.00 0.00 C ATOM 121 CG PHE A 38 8.379 0.884 -8.064 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.300 1.718 -7.703 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.138 -0.473 -8.350 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.995 1.200 -7.630 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.836 -0.996 -8.262 1.00 0.00 C ATOM 126 CZ PHE A 38 5.765 -0.159 -7.903 1.00 0.00 C ATOM 0 H PHE A 38 9.851 3.743 -7.525 1.00 0.00 H new ATOM 0 HA PHE A 38 9.942 1.271 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.812 2.277 -8.824 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.449 0.668 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.477 2.760 -7.482 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.957 -1.115 -8.638 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.171 1.845 -7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.659 -2.041 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.765 -0.561 -7.837 1.00 0.00 H new ATOM 136 N SER A 39 12.346 0.435 -6.732 1.00 0.00 N ATOM 137 CA SER A 39 13.773 0.098 -6.787 1.00 0.00 C ATOM 138 C SER A 39 14.078 -0.932 -7.871 1.00 0.00 C ATOM 139 O SER A 39 13.175 -1.485 -8.501 1.00 0.00 O ATOM 140 CB SER A 39 14.274 -0.336 -5.403 1.00 0.00 C ATOM 141 OG SER A 39 15.690 -0.263 -5.333 1.00 0.00 O ATOM 0 H SER A 39 11.736 -0.382 -6.745 1.00 0.00 H new ATOM 0 HA SER A 39 14.323 0.996 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.834 0.301 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.947 -1.355 -5.196 1.00 0.00 H new ATOM 0 HG SER A 39 15.988 -0.542 -4.442 1.00 0.00 H new ATOM 147 N ASP A 40 15.368 -1.117 -8.146 1.00 0.00 N ATOM 148 CA ASP A 40 15.886 -1.695 -9.386 1.00 0.00 C ATOM 149 C ASP A 40 15.323 -3.091 -9.677 1.00 0.00 C ATOM 150 O ASP A 40 14.921 -3.368 -10.804 1.00 0.00 O ATOM 151 CB ASP A 40 17.423 -1.679 -9.332 1.00 0.00 C ATOM 152 CG ASP A 40 18.087 -2.018 -10.676 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.618 -1.517 -11.727 1.00 0.00 O ATOM 154 OD2 ASP A 40 19.112 -2.740 -10.671 1.00 0.00 O ATOM 0 H ASP A 40 16.106 -0.860 -7.491 1.00 0.00 H new ATOM 0 HA ASP A 40 15.550 -1.084 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.757 -0.693 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.760 -2.392 -8.579 1.00 0.00 H new ATOM 159 N GLU A 41 15.232 -3.964 -8.672 1.00 0.00 N ATOM 160 CA GLU A 41 14.644 -5.303 -8.794 1.00 0.00 C ATOM 161 C GLU A 41 13.167 -5.245 -9.203 1.00 0.00 C ATOM 162 O GLU A 41 12.779 -5.819 -10.221 1.00 0.00 O ATOM 163 CB GLU A 41 14.776 -6.054 -7.463 1.00 0.00 C ATOM 164 CG GLU A 41 16.231 -6.259 -7.022 1.00 0.00 C ATOM 165 CD GLU A 41 16.784 -7.623 -7.476 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.139 -7.771 -8.671 1.00 0.00 O ATOM 167 OE2 GLU A 41 16.875 -8.557 -6.640 1.00 0.00 O ATOM 0 H GLU A 41 15.571 -3.758 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 41 15.189 -5.830 -9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.243 -5.502 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.291 -7.026 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.850 -5.462 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.295 -6.185 -5.936 1.00 0.00 H new ATOM 174 N GLN A 42 12.344 -4.534 -8.424 1.00 0.00 N ATOM 175 CA GLN A 42 10.897 -4.397 -8.636 1.00 0.00 C ATOM 176 C GLN A 42 10.583 -3.774 -10.010 1.00 0.00 C ATOM 177 O GLN A 42 9.665 -4.218 -10.702 1.00 0.00 O ATOM 178 CB GLN A 42 10.269 -3.552 -7.511 1.00 0.00 C ATOM 179 CG GLN A 42 10.285 -4.211 -6.119 1.00 0.00 C ATOM 180 CD GLN A 42 11.673 -4.345 -5.491 1.00 0.00 C ATOM 181 OE1 GLN A 42 12.547 -3.504 -5.647 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.941 -5.412 -4.769 1.00 0.00 N ATOM 0 H GLN A 42 12.675 -4.023 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 42 10.462 -5.396 -8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.798 -2.601 -7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.237 -3.327 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.653 -3.628 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.839 -5.203 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.225 -6.125 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.864 -5.526 -4.351 1.00 0.00 H new ATOM 191 N TYR A 43 11.374 -2.777 -10.423 1.00 0.00 N ATOM 192 CA TYR A 43 11.275 -2.109 -11.722 1.00 0.00 C ATOM 193 C TYR A 43 11.558 -3.081 -12.866 1.00 0.00 C ATOM 194 O TYR A 43 10.763 -3.235 -13.790 1.00 0.00 O ATOM 195 CB TYR A 43 12.285 -0.955 -11.758 1.00 0.00 C ATOM 196 CG TYR A 43 11.903 0.166 -12.702 1.00 0.00 C ATOM 197 CD1 TYR A 43 11.045 1.192 -12.259 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.393 0.178 -14.024 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.680 2.236 -13.131 1.00 0.00 C ATOM 200 CE2 TYR A 43 12.028 1.220 -14.898 1.00 0.00 C ATOM 201 CZ TYR A 43 11.171 2.252 -14.456 1.00 0.00 C ATOM 202 OH TYR A 43 10.823 3.254 -15.309 1.00 0.00 O ATOM 0 H TYR A 43 12.124 -2.402 -9.842 1.00 0.00 H new ATOM 0 HA TYR A 43 10.261 -1.730 -11.850 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.394 -0.549 -10.752 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.259 -1.347 -12.050 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.666 1.178 -11.248 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.047 -0.611 -14.366 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.026 3.023 -12.787 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.405 1.230 -15.910 1.00 0.00 H new ATOM 0 HH TYR A 43 11.252 3.107 -16.178 1.00 0.00 H new ATOM 212 N GLN A 44 12.701 -3.761 -12.774 1.00 0.00 N ATOM 213 CA GLN A 44 13.194 -4.713 -13.774 1.00 0.00 C ATOM 214 C GLN A 44 12.255 -5.904 -13.956 1.00 0.00 C ATOM 215 O GLN A 44 12.017 -6.332 -15.083 1.00 0.00 O ATOM 216 CB GLN A 44 14.583 -5.237 -13.401 1.00 0.00 C ATOM 217 CG GLN A 44 15.706 -4.251 -13.751 1.00 0.00 C ATOM 218 CD GLN A 44 17.043 -4.727 -13.190 1.00 0.00 C ATOM 219 OE1 GLN A 44 17.989 -5.026 -13.909 1.00 0.00 O ATOM 220 NE2 GLN A 44 17.154 -4.831 -11.886 1.00 0.00 N ATOM 0 H GLN A 44 13.330 -3.663 -11.977 1.00 0.00 H new ATOM 0 HA GLN A 44 13.245 -4.163 -14.713 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.611 -5.448 -12.332 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.761 -6.181 -13.917 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.778 -4.145 -14.833 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.469 -3.266 -13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.368 -4.583 -11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.027 -5.160 -11.473 1.00 0.00 H new ATOM 229 N LYS A 45 11.691 -6.430 -12.865 1.00 0.00 N ATOM 230 CA LYS A 45 10.701 -7.512 -12.911 1.00 0.00 C ATOM 231 C LYS A 45 9.459 -7.106 -13.709 1.00 0.00 C ATOM 232 O LYS A 45 8.979 -7.901 -14.517 1.00 0.00 O ATOM 233 CB LYS A 45 10.340 -7.967 -11.486 1.00 0.00 C ATOM 234 CG LYS A 45 10.475 -9.482 -11.248 1.00 0.00 C ATOM 235 CD LYS A 45 9.543 -10.365 -12.099 1.00 0.00 C ATOM 236 CE LYS A 45 10.166 -10.938 -13.383 1.00 0.00 C ATOM 237 NZ LYS A 45 11.246 -11.923 -13.095 1.00 0.00 N ATOM 0 H LYS A 45 11.909 -6.116 -11.919 1.00 0.00 H new ATOM 0 HA LYS A 45 11.146 -8.359 -13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.980 -7.442 -10.777 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.314 -7.668 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.506 -9.774 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.282 -9.687 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.194 -11.194 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.665 -9.779 -12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.389 -11.417 -13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.571 -10.123 -13.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.507 -12.418 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.078 -11.426 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.908 -12.614 -12.395 1.00 0.00 H new ATOM 251 N LEU A 46 8.972 -5.870 -13.537 1.00 0.00 N ATOM 252 CA LEU A 46 7.865 -5.351 -14.353 1.00 0.00 C ATOM 253 C LEU A 46 8.285 -4.993 -15.783 1.00 0.00 C ATOM 254 O LEU A 46 7.517 -5.212 -16.714 1.00 0.00 O ATOM 255 CB LEU A 46 7.111 -4.218 -13.614 1.00 0.00 C ATOM 256 CG LEU A 46 5.747 -4.762 -13.153 1.00 0.00 C ATOM 257 CD1 LEU A 46 4.995 -3.914 -12.128 1.00 0.00 C ATOM 258 CD2 LEU A 46 4.782 -4.875 -14.334 1.00 0.00 C ATOM 0 H LEU A 46 9.326 -5.212 -12.842 1.00 0.00 H new ATOM 0 HA LEU A 46 7.149 -6.162 -14.485 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.690 -3.873 -12.758 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.974 -3.361 -14.273 1.00 0.00 H new ATOM 0 HG LEU A 46 6.017 -5.714 -12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.050 -4.397 -11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.599 -3.813 -11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.799 -2.927 -12.546 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.824 -5.261 -13.986 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.636 -3.891 -14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.197 -5.553 -15.080 1.00 0.00 H new ATOM 270 N GLU A 47 9.520 -4.551 -15.995 1.00 0.00 N ATOM 271 CA GLU A 47 10.091 -4.333 -17.331 1.00 0.00 C ATOM 272 C GLU A 47 10.247 -5.627 -18.146 1.00 0.00 C ATOM 273 O GLU A 47 9.944 -5.637 -19.341 1.00 0.00 O ATOM 274 CB GLU A 47 11.399 -3.543 -17.214 1.00 0.00 C ATOM 275 CG GLU A 47 11.897 -2.978 -18.556 1.00 0.00 C ATOM 276 CD GLU A 47 12.742 -3.965 -19.395 1.00 0.00 C ATOM 277 OE1 GLU A 47 13.605 -4.680 -18.832 1.00 0.00 O ATOM 278 OE2 GLU A 47 12.589 -3.988 -20.640 1.00 0.00 O ATOM 0 H GLU A 47 10.166 -4.329 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 47 9.380 -3.737 -17.903 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.256 -2.720 -16.513 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.169 -4.190 -16.793 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.035 -2.665 -19.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.491 -2.085 -18.361 1.00 0.00 H new ATOM 285 N LYS A 48 10.626 -6.740 -17.505 1.00 0.00 N ATOM 286 CA LYS A 48 10.714 -8.062 -18.138 1.00 0.00 C ATOM 287 C LYS A 48 9.365 -8.495 -18.714 1.00 0.00 C ATOM 288 O LYS A 48 9.305 -9.017 -19.826 1.00 0.00 O ATOM 289 CB LYS A 48 11.302 -9.086 -17.145 1.00 0.00 C ATOM 290 CG LYS A 48 11.591 -10.451 -17.798 1.00 0.00 C ATOM 291 CD LYS A 48 10.431 -11.461 -17.681 1.00 0.00 C ATOM 292 CE LYS A 48 10.442 -12.506 -18.808 1.00 0.00 C ATOM 293 NZ LYS A 48 11.648 -13.378 -18.775 1.00 0.00 N ATOM 0 H LYS A 48 10.884 -6.747 -16.518 1.00 0.00 H new ATOM 0 HA LYS A 48 11.396 -8.005 -18.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.224 -8.688 -16.723 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.606 -9.224 -16.317 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.820 -10.297 -18.853 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.481 -10.881 -17.339 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.492 -11.969 -16.719 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.483 -10.924 -17.698 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.549 -13.126 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.394 -11.996 -19.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.603 -14.063 -19.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.502 -12.793 -18.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.683 -13.888 -17.869 1.00 0.00 H new ATOM 307 N MET A 49 8.280 -8.252 -17.977 1.00 0.00 N ATOM 308 CA MET A 49 6.914 -8.472 -18.413 1.00 0.00 C ATOM 309 C MET A 49 6.457 -7.444 -19.458 1.00 0.00 C ATOM 310 O MET A 49 5.796 -7.805 -20.430 1.00 0.00 O ATOM 311 CB MET A 49 6.032 -8.381 -17.173 1.00 0.00 C ATOM 312 CG MET A 49 6.213 -9.550 -16.198 1.00 0.00 C ATOM 313 SD MET A 49 4.766 -9.840 -15.147 1.00 0.00 S ATOM 314 CE MET A 49 4.590 -8.197 -14.412 1.00 0.00 C ATOM 0 H MET A 49 8.338 -7.884 -17.028 1.00 0.00 H new ATOM 0 HA MET A 49 6.842 -9.448 -18.893 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.249 -7.449 -16.652 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.988 -8.337 -17.483 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.429 -10.456 -16.764 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.079 -9.355 -15.566 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.985 -8.266 -13.508 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.575 -7.804 -14.160 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.104 -7.530 -15.124 1.00 0.00 H new ATOM 324 N ALA A 50 6.838 -6.173 -19.303 1.00 0.00 N ATOM 325 CA ALA A 50 6.503 -5.086 -20.220 1.00 0.00 C ATOM 326 C ALA A 50 7.022 -5.303 -21.643 1.00 0.00 C ATOM 327 O ALA A 50 6.388 -4.829 -22.580 1.00 0.00 O ATOM 328 CB ALA A 50 6.982 -3.754 -19.645 1.00 0.00 C ATOM 0 H ALA A 50 7.404 -5.866 -18.512 1.00 0.00 H new ATOM 0 HA ALA A 50 5.417 -5.069 -20.311 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.729 -2.948 -20.334 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.497 -3.577 -18.685 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.063 -3.786 -19.505 1.00 0.00 H new ATOM 334 N ASN A 51 8.100 -6.062 -21.847 1.00 0.00 N ATOM 335 CA ASN A 51 8.542 -6.497 -23.175 1.00 0.00 C ATOM 336 C ASN A 51 7.474 -7.321 -23.932 1.00 0.00 C ATOM 337 O ASN A 51 7.401 -7.248 -25.157 1.00 0.00 O ATOM 338 CB ASN A 51 9.862 -7.259 -23.007 1.00 0.00 C ATOM 339 CG ASN A 51 10.428 -7.763 -24.326 1.00 0.00 C ATOM 340 OD1 ASN A 51 10.309 -8.929 -24.675 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.061 -6.910 -25.099 1.00 0.00 N ATOM 0 H ASN A 51 8.696 -6.395 -21.090 1.00 0.00 H new ATOM 0 HA ASN A 51 8.699 -5.621 -23.804 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.593 -6.607 -22.529 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.704 -8.105 -22.338 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.452 -7.221 -25.988 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.161 -5.937 -24.810 1.00 0.00 H new ATOM 348 N GLU A 52 6.589 -8.029 -23.223 1.00 0.00 N ATOM 349 CA GLU A 52 5.429 -8.733 -23.790 1.00 0.00 C ATOM 350 C GLU A 52 4.329 -7.757 -24.267 1.00 0.00 C ATOM 351 O GLU A 52 3.619 -8.033 -25.234 1.00 0.00 O ATOM 352 CB GLU A 52 4.887 -9.738 -22.752 1.00 0.00 C ATOM 353 CG GLU A 52 4.354 -11.052 -23.345 1.00 0.00 C ATOM 354 CD GLU A 52 3.014 -10.920 -24.099 1.00 0.00 C ATOM 355 OE1 GLU A 52 2.001 -10.508 -23.482 1.00 0.00 O ATOM 356 OE2 GLU A 52 2.949 -11.298 -25.295 1.00 0.00 O ATOM 0 H GLU A 52 6.660 -8.132 -22.211 1.00 0.00 H new ATOM 0 HA GLU A 52 5.753 -9.276 -24.678 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.682 -9.971 -22.044 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.087 -9.260 -22.187 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.101 -11.457 -24.027 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.233 -11.776 -22.539 1.00 0.00 H new ATOM 363 N GLU A 53 4.233 -6.575 -23.645 1.00 0.00 N ATOM 364 CA GLU A 53 3.411 -5.428 -24.077 1.00 0.00 C ATOM 365 C GLU A 53 4.196 -4.473 -25.014 1.00 0.00 C ATOM 366 O GLU A 53 3.686 -3.444 -25.458 1.00 0.00 O ATOM 367 CB GLU A 53 2.860 -4.725 -22.821 1.00 0.00 C ATOM 368 CG GLU A 53 1.641 -3.827 -23.078 1.00 0.00 C ATOM 369 CD GLU A 53 0.949 -3.429 -21.759 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.364 -2.432 -21.125 1.00 0.00 O ATOM 371 OE2 GLU A 53 -0.032 -4.107 -21.367 1.00 0.00 O ATOM 0 H GLU A 53 4.748 -6.379 -22.787 1.00 0.00 H new ATOM 0 HA GLU A 53 2.571 -5.779 -24.677 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.589 -5.482 -22.085 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.654 -4.122 -22.380 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.954 -2.930 -23.612 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.931 -4.349 -23.720 1.00 0.00 H new ATOM 378 N GLU A 54 5.437 -4.840 -25.355 1.00 0.00 N ATOM 379 CA GLU A 54 6.403 -4.113 -26.185 1.00 0.00 C ATOM 380 C GLU A 54 6.854 -2.771 -25.569 1.00 0.00 C ATOM 381 O GLU A 54 6.793 -1.707 -26.186 1.00 0.00 O ATOM 382 CB GLU A 54 5.926 -4.076 -27.651 1.00 0.00 C ATOM 383 CG GLU A 54 7.053 -4.439 -28.621 1.00 0.00 C ATOM 384 CD GLU A 54 8.100 -3.320 -28.785 1.00 0.00 C ATOM 385 OE1 GLU A 54 7.918 -2.434 -29.656 1.00 0.00 O ATOM 386 OE2 GLU A 54 9.134 -3.349 -28.074 1.00 0.00 O ATOM 0 H GLU A 54 5.823 -5.727 -25.030 1.00 0.00 H new ATOM 0 HA GLU A 54 7.342 -4.665 -26.205 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.096 -4.770 -27.781 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.549 -3.081 -27.886 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.550 -5.343 -28.268 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.624 -4.671 -29.596 1.00 0.00 H new ATOM 393 N GLU A 55 7.343 -2.859 -24.325 1.00 0.00 N ATOM 394 CA GLU A 55 7.891 -1.790 -23.474 1.00 0.00 C ATOM 395 C GLU A 55 6.920 -0.619 -23.239 1.00 0.00 C ATOM 396 O GLU A 55 6.943 0.424 -23.897 1.00 0.00 O ATOM 397 CB GLU A 55 9.272 -1.362 -23.974 1.00 0.00 C ATOM 398 CG GLU A 55 10.036 -0.477 -22.977 1.00 0.00 C ATOM 399 CD GLU A 55 11.349 0.041 -23.599 1.00 0.00 C ATOM 400 OE1 GLU A 55 12.354 -0.712 -23.634 1.00 0.00 O ATOM 401 OE2 GLU A 55 11.393 1.212 -24.052 1.00 0.00 O ATOM 0 H GLU A 55 7.368 -3.758 -23.845 1.00 0.00 H new ATOM 0 HA GLU A 55 8.024 -2.207 -22.476 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.865 -2.252 -24.187 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.158 -0.822 -24.914 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.412 0.366 -22.679 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.256 -1.046 -22.073 1.00 0.00 H new ATOM 408 N SER A 56 6.065 -0.822 -22.239 1.00 0.00 N ATOM 409 CA SER A 56 5.012 0.091 -21.767 1.00 0.00 C ATOM 410 C SER A 56 4.914 0.074 -20.233 1.00 0.00 C ATOM 411 O SER A 56 3.825 0.121 -19.666 1.00 0.00 O ATOM 412 CB SER A 56 3.670 -0.268 -22.430 1.00 0.00 C ATOM 413 OG SER A 56 3.683 0.043 -23.816 1.00 0.00 O ATOM 0 H SER A 56 6.086 -1.686 -21.697 1.00 0.00 H new ATOM 0 HA SER A 56 5.271 1.109 -22.057 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.467 -1.330 -22.295 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.862 0.276 -21.940 1.00 0.00 H new ATOM 0 HG SER A 56 2.820 -0.196 -24.213 1.00 0.00 H new ATOM 419 N VAL A 57 6.060 -0.024 -19.541 1.00 0.00 N ATOM 420 CA VAL A 57 6.181 -0.253 -18.083 1.00 0.00 C ATOM 421 C VAL A 57 5.220 0.576 -17.224 1.00 0.00 C ATOM 422 O VAL A 57 4.559 0.014 -16.358 1.00 0.00 O ATOM 423 CB VAL A 57 7.617 -0.037 -17.549 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.438 -1.319 -17.627 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.399 1.059 -18.285 1.00 0.00 C ATOM 0 H VAL A 57 6.969 0.057 -19.997 1.00 0.00 H new ATOM 0 HA VAL A 57 5.905 -1.303 -17.984 1.00 0.00 H new ATOM 0 HB VAL A 57 7.475 0.277 -16.515 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.441 -1.132 -17.244 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.960 -2.094 -17.029 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.501 -1.648 -18.664 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.395 1.149 -17.852 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.484 0.799 -19.340 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.874 2.009 -18.187 1.00 0.00 H new ATOM 435 N GLY A 58 5.097 1.884 -17.468 1.00 0.00 N ATOM 436 CA GLY A 58 4.225 2.792 -16.702 1.00 0.00 C ATOM 437 C GLY A 58 2.755 2.363 -16.712 1.00 0.00 C ATOM 438 O GLY A 58 2.077 2.384 -15.682 1.00 0.00 O ATOM 0 H GLY A 58 5.608 2.354 -18.215 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.576 2.840 -15.671 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.307 3.798 -17.114 1.00 0.00 H new ATOM 442 N SER A 59 2.275 1.921 -17.874 1.00 0.00 N ATOM 443 CA SER A 59 0.952 1.340 -18.075 1.00 0.00 C ATOM 444 C SER A 59 0.869 -0.091 -17.557 1.00 0.00 C ATOM 445 O SER A 59 -0.145 -0.448 -16.964 1.00 0.00 O ATOM 446 CB SER A 59 0.637 1.313 -19.568 1.00 0.00 C ATOM 447 OG SER A 59 0.674 2.614 -20.140 1.00 0.00 O ATOM 0 H SER A 59 2.821 1.960 -18.735 1.00 0.00 H new ATOM 0 HA SER A 59 0.241 1.955 -17.524 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.354 0.671 -20.079 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.349 0.876 -19.723 1.00 0.00 H new ATOM 0 HG SER A 59 0.469 2.557 -21.097 1.00 0.00 H new ATOM 453 N TYR A 60 1.917 -0.906 -17.734 1.00 0.00 N ATOM 454 CA TYR A 60 1.933 -2.289 -17.245 1.00 0.00 C ATOM 455 C TYR A 60 1.802 -2.332 -15.722 1.00 0.00 C ATOM 456 O TYR A 60 1.003 -3.099 -15.198 1.00 0.00 O ATOM 457 CB TYR A 60 3.188 -3.048 -17.698 1.00 0.00 C ATOM 458 CG TYR A 60 2.962 -4.550 -17.861 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.606 -5.361 -16.762 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.082 -5.139 -19.132 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.369 -6.738 -16.927 1.00 0.00 C ATOM 462 CE2 TYR A 60 2.883 -6.523 -19.302 1.00 0.00 C ATOM 463 CZ TYR A 60 2.508 -7.326 -18.201 1.00 0.00 C ATOM 464 OH TYR A 60 2.279 -8.660 -18.356 1.00 0.00 O ATOM 0 H TYR A 60 2.771 -0.627 -18.217 1.00 0.00 H new ATOM 0 HA TYR A 60 1.071 -2.791 -17.684 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.531 -2.635 -18.646 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.984 -2.884 -16.972 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.514 -4.919 -15.781 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.329 -4.525 -19.985 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.081 -7.343 -16.080 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.017 -6.971 -20.275 1.00 0.00 H new ATOM 0 HH TYR A 60 2.416 -8.909 -19.294 1.00 0.00 H new ATOM 474 N ILE A 61 2.529 -1.461 -15.016 1.00 0.00 N ATOM 475 CA ILE A 61 2.431 -1.275 -13.558 1.00 0.00 C ATOM 476 C ILE A 61 0.973 -1.065 -13.176 1.00 0.00 C ATOM 477 O ILE A 61 0.437 -1.825 -12.368 1.00 0.00 O ATOM 478 CB ILE A 61 3.305 -0.100 -13.059 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.816 -0.387 -13.207 1.00 0.00 C ATOM 480 CG2 ILE A 61 3.017 0.231 -11.581 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.628 0.901 -13.315 1.00 0.00 C ATOM 0 H ILE A 61 3.220 -0.849 -15.449 1.00 0.00 H new ATOM 0 HA ILE A 61 2.812 -2.174 -13.073 1.00 0.00 H new ATOM 0 HB ILE A 61 3.042 0.750 -13.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.162 -0.965 -12.350 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.985 -0.999 -14.093 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.649 1.061 -11.264 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.969 0.509 -11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.229 -0.642 -10.964 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.685 0.657 -13.418 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.300 1.466 -14.187 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.480 1.501 -12.417 1.00 0.00 H new ATOM 493 N LYS A 62 0.310 -0.080 -13.798 1.00 0.00 N ATOM 494 CA LYS A 62 -1.111 0.158 -13.551 1.00 0.00 C ATOM 495 C LYS A 62 -1.923 -1.117 -13.827 1.00 0.00 C ATOM 496 O LYS A 62 -2.572 -1.640 -12.928 1.00 0.00 O ATOM 497 CB LYS A 62 -1.615 1.380 -14.342 1.00 0.00 C ATOM 498 CG LYS A 62 -2.990 1.802 -13.797 1.00 0.00 C ATOM 499 CD LYS A 62 -3.564 3.083 -14.414 1.00 0.00 C ATOM 500 CE LYS A 62 -3.784 2.968 -15.929 1.00 0.00 C ATOM 501 NZ LYS A 62 -4.645 4.072 -16.435 1.00 0.00 N ATOM 0 H LYS A 62 0.735 0.558 -14.470 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.253 0.401 -12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.907 2.204 -14.253 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.689 1.137 -15.402 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.696 0.988 -13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.910 1.940 -12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.512 3.320 -13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.887 3.913 -14.212 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.822 2.990 -16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.246 2.008 -16.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.321 4.360 -17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.631 3.745 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.586 4.883 -15.787 1.00 0.00 H new ATOM 515 N ARG A 63 -1.828 -1.664 -15.044 1.00 0.00 N ATOM 516 CA ARG A 63 -2.521 -2.869 -15.544 1.00 0.00 C ATOM 517 C ARG A 63 -2.364 -4.092 -14.639 1.00 0.00 C ATOM 518 O ARG A 63 -3.315 -4.849 -14.498 1.00 0.00 O ATOM 519 CB ARG A 63 -2.054 -3.170 -16.984 1.00 0.00 C ATOM 520 CG ARG A 63 -2.907 -4.253 -17.667 1.00 0.00 C ATOM 521 CD ARG A 63 -2.445 -4.529 -19.103 1.00 0.00 C ATOM 522 NE ARG A 63 -3.311 -5.538 -19.744 1.00 0.00 N ATOM 523 CZ ARG A 63 -3.123 -6.139 -20.906 1.00 0.00 C ATOM 524 NH1 ARG A 63 -2.099 -5.896 -21.669 1.00 0.00 N ATOM 525 NH2 ARG A 63 -3.986 -7.018 -21.334 1.00 0.00 N ATOM 0 H ARG A 63 -1.226 -1.253 -15.758 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.589 -2.650 -15.541 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.095 -2.255 -17.574 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.013 -3.491 -16.965 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.856 -5.174 -17.087 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.951 -3.940 -17.676 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.465 -3.605 -19.681 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.413 -4.879 -19.097 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.152 -5.802 -19.231 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.397 -5.215 -21.379 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.998 -6.386 -22.558 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.807 -7.242 -20.772 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.840 -7.481 -22.231 1.00 0.00 H new ATOM 539 N TYR A 64 -1.224 -4.279 -13.981 1.00 0.00 N ATOM 540 CA TYR A 64 -0.944 -5.416 -13.097 1.00 0.00 C ATOM 541 C TYR A 64 -1.861 -5.444 -11.866 1.00 0.00 C ATOM 542 O TYR A 64 -2.404 -6.480 -11.484 1.00 0.00 O ATOM 543 CB TYR A 64 0.533 -5.349 -12.685 1.00 0.00 C ATOM 544 CG TYR A 64 1.150 -6.647 -12.199 1.00 0.00 C ATOM 545 CD1 TYR A 64 0.963 -7.846 -12.917 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.938 -6.648 -11.032 1.00 0.00 C ATOM 547 CE1 TYR A 64 1.497 -9.052 -12.426 1.00 0.00 C ATOM 548 CE2 TYR A 64 2.501 -7.844 -10.553 1.00 0.00 C ATOM 549 CZ TYR A 64 2.253 -9.053 -11.237 1.00 0.00 C ATOM 550 OH TYR A 64 2.726 -10.223 -10.745 1.00 0.00 O ATOM 0 H TYR A 64 -0.443 -3.626 -14.047 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.145 -6.341 -13.638 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.111 -4.992 -13.537 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.636 -4.604 -11.896 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.410 -7.839 -13.844 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.111 -5.724 -10.501 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.328 -9.975 -12.960 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.119 -7.837 -9.667 1.00 0.00 H new ATOM 0 HH TYR A 64 2.066 -10.611 -10.133 1.00 0.00 H new ATOM 560 N ILE A 65 -2.098 -4.257 -11.313 1.00 0.00 N ATOM 561 CA ILE A 65 -3.096 -3.971 -10.270 1.00 0.00 C ATOM 562 C ILE A 65 -4.506 -4.229 -10.801 1.00 0.00 C ATOM 563 O ILE A 65 -5.303 -4.857 -10.111 1.00 0.00 O ATOM 564 CB ILE A 65 -2.933 -2.533 -9.722 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.703 -2.459 -8.801 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.176 -2.012 -8.983 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.206 -1.021 -8.607 1.00 0.00 C ATOM 0 H ILE A 65 -1.578 -3.424 -11.589 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.930 -4.647 -9.431 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.796 -1.886 -10.588 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.952 -2.889 -7.831 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.900 -3.065 -9.221 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.989 -0.999 -8.627 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.028 -2.006 -9.663 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.393 -2.661 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.337 -1.022 -7.949 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.930 -0.598 -9.573 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.998 -0.419 -8.161 1.00 0.00 H new ATOM 579 N LEU A 66 -4.818 -3.805 -12.033 1.00 0.00 N ATOM 580 CA LEU A 66 -6.150 -3.983 -12.626 1.00 0.00 C ATOM 581 C LEU A 66 -6.447 -5.466 -12.873 1.00 0.00 C ATOM 582 O LEU A 66 -7.560 -5.936 -12.638 1.00 0.00 O ATOM 583 CB LEU A 66 -6.272 -3.182 -13.934 1.00 0.00 C ATOM 584 CG LEU A 66 -5.814 -1.719 -13.855 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.074 -0.977 -15.156 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.447 -0.940 -12.710 1.00 0.00 C ATOM 0 H LEU A 66 -4.155 -3.330 -12.646 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.888 -3.604 -11.919 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.689 -3.686 -14.705 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.313 -3.202 -14.257 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.742 -1.776 -13.667 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.736 0.055 -15.060 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.531 -1.463 -15.967 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.142 -0.990 -15.375 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.076 0.085 -12.718 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.530 -0.934 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.189 -1.412 -11.762 1.00 0.00 H new ATOM 598 N LYS A 67 -5.420 -6.211 -13.293 1.00 0.00 N ATOM 599 CA LYS A 67 -5.436 -7.655 -13.512 1.00 0.00 C ATOM 600 C LYS A 67 -5.668 -8.415 -12.205 1.00 0.00 C ATOM 601 O LYS A 67 -6.501 -9.320 -12.159 1.00 0.00 O ATOM 602 CB LYS A 67 -4.133 -8.059 -14.223 1.00 0.00 C ATOM 603 CG LYS A 67 -4.183 -9.520 -14.704 1.00 0.00 C ATOM 604 CD LYS A 67 -3.074 -9.876 -15.706 1.00 0.00 C ATOM 605 CE LYS A 67 -1.676 -9.871 -15.072 1.00 0.00 C ATOM 606 NZ LYS A 67 -0.636 -10.283 -16.055 1.00 0.00 N ATOM 0 H LYS A 67 -4.510 -5.799 -13.499 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.273 -7.927 -14.155 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.962 -7.400 -15.074 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.291 -7.927 -13.544 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.107 -10.181 -13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.152 -9.709 -15.165 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.274 -10.861 -16.127 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.096 -9.166 -16.533 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.449 -8.874 -14.695 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.659 -10.547 -14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.298 -10.270 -15.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.842 -11.244 -16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.637 -9.623 -16.859 1.00 0.00 H new ATOM 620 N ALA A 68 -4.999 -8.000 -11.128 1.00 0.00 N ATOM 621 CA ALA A 68 -5.244 -8.509 -9.778 1.00 0.00 C ATOM 622 C ALA A 68 -6.656 -8.156 -9.250 1.00 0.00 C ATOM 623 O ALA A 68 -7.280 -8.969 -8.566 1.00 0.00 O ATOM 624 CB ALA A 68 -4.127 -7.992 -8.864 1.00 0.00 C ATOM 0 H ALA A 68 -4.264 -7.294 -11.169 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.225 -9.599 -9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.288 -8.359 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.164 -8.347 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.134 -6.902 -8.861 1.00 0.00 H new ATOM 630 N LEU A 69 -7.206 -6.992 -9.626 1.00 0.00 N ATOM 631 CA LEU A 69 -8.506 -6.468 -9.180 1.00 0.00 C ATOM 632 C LEU A 69 -9.682 -7.346 -9.610 1.00 0.00 C ATOM 633 O LEU A 69 -10.705 -7.398 -8.924 1.00 0.00 O ATOM 634 CB LEU A 69 -8.698 -5.030 -9.710 1.00 0.00 C ATOM 635 CG LEU A 69 -9.225 -4.025 -8.676 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.142 -3.668 -7.659 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.638 -2.731 -9.378 1.00 0.00 C ATOM 0 H LEU A 69 -6.737 -6.363 -10.277 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.495 -6.469 -8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.743 -4.669 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.389 -5.058 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.073 -4.486 -8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.541 -2.955 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.821 -4.570 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.290 -3.224 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.011 -2.020 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.776 -2.304 -9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.422 -2.945 -10.105 1.00 0.00 H new ATOM 649 N ARG A 70 -9.516 -8.074 -10.721 1.00 0.00 N ATOM 650 CA ARG A 70 -10.479 -9.058 -11.229 1.00 0.00 C ATOM 651 C ARG A 70 -10.783 -10.179 -10.221 1.00 0.00 C ATOM 652 O ARG A 70 -11.881 -10.738 -10.248 1.00 0.00 O ATOM 653 CB ARG A 70 -10.018 -9.647 -12.575 1.00 0.00 C ATOM 654 CG ARG A 70 -9.734 -8.566 -13.632 1.00 0.00 C ATOM 655 CD ARG A 70 -9.570 -9.144 -15.045 1.00 0.00 C ATOM 656 NE ARG A 70 -10.858 -9.597 -15.616 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.783 -8.861 -16.209 1.00 0.00 C ATOM 658 NH1 ARG A 70 -11.654 -7.572 -16.365 1.00 0.00 N ATOM 659 NH2 ARG A 70 -12.873 -9.410 -16.661 1.00 0.00 N ATOM 0 H ARG A 70 -8.685 -7.992 -11.307 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.411 -8.516 -11.386 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.117 -10.240 -12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.784 -10.325 -12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.549 -7.842 -13.633 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.828 -8.026 -13.358 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.131 -8.388 -15.696 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.873 -9.982 -15.015 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.056 -10.595 -15.544 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.817 -7.098 -16.024 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.390 -7.038 -16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.018 -10.414 -16.559 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.582 -8.836 -17.117 1.00 0.00 H new ATOM 673 N LYS A 71 -9.828 -10.487 -9.330 1.00 0.00 N ATOM 674 CA LYS A 71 -9.923 -11.485 -8.250 1.00 0.00 C ATOM 675 C LYS A 71 -8.966 -11.180 -7.079 1.00 0.00 C ATOM 676 O LYS A 71 -8.020 -11.926 -6.822 1.00 0.00 O ATOM 677 CB LYS A 71 -9.766 -12.912 -8.829 1.00 0.00 C ATOM 678 CG LYS A 71 -8.526 -13.136 -9.714 1.00 0.00 C ATOM 679 CD LYS A 71 -8.460 -14.598 -10.188 1.00 0.00 C ATOM 680 CE LYS A 71 -7.251 -14.870 -11.096 1.00 0.00 C ATOM 681 NZ LYS A 71 -5.964 -14.847 -10.350 1.00 0.00 N ATOM 0 H LYS A 71 -8.920 -10.023 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.918 -11.426 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.732 -13.620 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.655 -13.148 -9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.562 -12.469 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.624 -12.887 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.413 -15.256 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.376 -14.844 -10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.372 -15.841 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.221 -14.123 -11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.179 -15.036 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.833 -13.913 -9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.979 -15.577 -9.609 1.00 0.00 H new ATOM 695 N ILE A 72 -9.229 -10.085 -6.349 1.00 0.00 N ATOM 696 CA ILE A 72 -8.483 -9.682 -5.139 1.00 0.00 C ATOM 697 C ILE A 72 -8.345 -10.830 -4.114 1.00 0.00 C ATOM 698 O ILE A 72 -7.244 -11.092 -3.622 1.00 0.00 O ATOM 699 CB ILE A 72 -9.126 -8.430 -4.488 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.347 -7.318 -5.541 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.260 -7.943 -3.310 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.537 -5.886 -5.021 1.00 0.00 C ATOM 0 H ILE A 72 -9.982 -9.439 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.473 -9.428 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.106 -8.697 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.494 -7.321 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.224 -7.582 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.720 -7.063 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.182 -8.734 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.264 -7.687 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.682 -5.209 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.411 -5.848 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.653 -5.583 -4.459 1.00 0.00 H new ATOM 714 N GLU A 73 -9.454 -11.505 -3.785 1.00 0.00 N ATOM 715 CA GLU A 73 -9.523 -12.660 -2.864 1.00 0.00 C ATOM 716 C GLU A 73 -8.861 -13.931 -3.442 1.00 0.00 C ATOM 717 O GLU A 73 -7.859 -14.397 -2.853 1.00 0.00 O ATOM 718 CB GLU A 73 -10.992 -12.886 -2.455 1.00 0.00 C ATOM 719 CG GLU A 73 -11.195 -13.859 -1.278 1.00 0.00 C ATOM 720 CD GLU A 73 -11.241 -15.354 -1.681 1.00 0.00 C ATOM 721 OE1 GLU A 73 -12.165 -15.767 -2.428 1.00 0.00 O ATOM 722 OE2 GLU A 73 -10.403 -16.153 -1.189 1.00 0.00 O ATOM 0 H GLU A 73 -10.367 -11.256 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.940 -12.431 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.433 -11.924 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.540 -13.263 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.388 -13.714 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.124 -13.604 -0.769 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 17.092 6.471 -7.007 1.00 0.00 N ATOM 731 CA THR B 31 15.755 5.857 -6.874 1.00 0.00 C ATOM 732 C THR B 31 15.052 5.872 -8.239 1.00 0.00 C ATOM 733 O THR B 31 15.333 6.744 -9.067 1.00 0.00 O ATOM 734 CB THR B 31 14.888 6.637 -5.858 1.00 0.00 C ATOM 735 OG1 THR B 31 15.638 7.090 -4.744 1.00 0.00 O ATOM 736 CG2 THR B 31 13.759 5.798 -5.268 1.00 0.00 C ATOM 0 HA THR B 31 15.880 4.834 -6.519 1.00 0.00 H new ATOM 0 HB THR B 31 14.493 7.468 -6.442 1.00 0.00 H new ATOM 0 HG1 THR B 31 16.592 7.091 -4.970 1.00 0.00 H new ATOM 0 HG21 THR B 31 13.187 6.402 -4.563 1.00 0.00 H new ATOM 0 HG22 THR B 31 13.103 5.457 -6.069 1.00 0.00 H new ATOM 0 HG23 THR B 31 14.179 4.936 -4.750 1.00 0.00 H new ATOM 744 N ARG B 32 14.122 4.943 -8.484 1.00 0.00 N ATOM 745 CA ARG B 32 13.230 4.958 -9.661 1.00 0.00 C ATOM 746 C ARG B 32 12.000 5.831 -9.400 1.00 0.00 C ATOM 747 O ARG B 32 11.676 6.142 -8.254 1.00 0.00 O ATOM 748 CB ARG B 32 12.827 3.518 -10.049 1.00 0.00 C ATOM 749 CG ARG B 32 14.017 2.660 -10.513 1.00 0.00 C ATOM 750 CD ARG B 32 14.515 3.041 -11.919 1.00 0.00 C ATOM 751 NE ARG B 32 15.925 2.650 -12.115 1.00 0.00 N ATOM 752 CZ ARG B 32 16.416 1.433 -12.248 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.669 0.381 -12.389 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.695 1.217 -12.219 1.00 0.00 N ATOM 0 H ARG B 32 13.961 4.147 -7.866 1.00 0.00 H new ATOM 0 HA ARG B 32 13.770 5.394 -10.501 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.353 3.037 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG B 32 12.084 3.558 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.836 2.767 -9.801 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.726 1.610 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.893 2.555 -12.671 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.410 4.116 -12.065 1.00 0.00 H new ATOM 0 HE ARG B 32 16.601 3.413 -12.152 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.653 0.475 -12.401 1.00 0.00 H new ATOM 0 HH12 ARG B 32 16.098 -0.539 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG B 32 18.341 1.996 -12.091 1.00 0.00 H new ATOM 0 HH22 ARG B 32 18.054 0.268 -12.324 1.00 0.00 H new ATOM 768 N ALA B 33 11.301 6.192 -10.470 1.00 0.00 N ATOM 769 CA ALA B 33 10.112 7.042 -10.465 1.00 0.00 C ATOM 770 C ALA B 33 8.968 6.371 -11.240 1.00 0.00 C ATOM 771 O ALA B 33 9.131 5.972 -12.396 1.00 0.00 O ATOM 772 CB ALA B 33 10.484 8.414 -11.041 1.00 0.00 C ATOM 0 H ALA B 33 11.558 5.887 -11.409 1.00 0.00 H new ATOM 0 HA ALA B 33 9.753 7.185 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.605 9.058 -11.043 1.00 0.00 H new ATOM 0 HB2 ALA B 33 11.264 8.866 -10.429 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.848 8.294 -12.061 1.00 0.00 H new ATOM 778 N VAL B 34 7.814 6.239 -10.588 1.00 0.00 N ATOM 779 CA VAL B 34 6.598 5.585 -11.090 1.00 0.00 C ATOM 780 C VAL B 34 5.422 6.534 -10.909 1.00 0.00 C ATOM 781 O VAL B 34 4.790 6.561 -9.858 1.00 0.00 O ATOM 782 CB VAL B 34 6.376 4.223 -10.400 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.033 3.578 -10.763 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.489 3.246 -10.810 1.00 0.00 C ATOM 0 H VAL B 34 7.692 6.604 -9.643 1.00 0.00 H new ATOM 0 HA VAL B 34 6.702 5.367 -12.153 1.00 0.00 H new ATOM 0 HB VAL B 34 6.385 4.419 -9.328 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.937 2.623 -10.246 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.219 4.238 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.987 3.414 -11.840 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.328 2.285 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.473 3.109 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.456 3.649 -10.509 1.00 0.00 H new ATOM 794 N SER B 35 5.157 7.349 -11.928 1.00 0.00 N ATOM 795 CA SER B 35 4.040 8.299 -11.958 1.00 0.00 C ATOM 796 C SER B 35 2.992 7.895 -12.980 1.00 0.00 C ATOM 797 O SER B 35 3.272 7.804 -14.179 1.00 0.00 O ATOM 798 CB SER B 35 4.535 9.724 -12.191 1.00 0.00 C ATOM 799 OG SER B 35 3.462 10.652 -12.196 1.00 0.00 O ATOM 0 H SER B 35 5.724 7.370 -12.776 1.00 0.00 H new ATOM 0 HA SER B 35 3.559 8.275 -10.980 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.248 9.995 -11.412 1.00 0.00 H new ATOM 0 HB3 SER B 35 5.066 9.775 -13.141 1.00 0.00 H new ATOM 0 HG SER B 35 3.811 11.555 -12.346 1.00 0.00 H new ATOM 805 N LEU B 36 1.792 7.602 -12.480 1.00 0.00 N ATOM 806 CA LEU B 36 0.682 7.075 -13.234 1.00 0.00 C ATOM 807 C LEU B 36 -0.645 7.751 -12.898 1.00 0.00 C ATOM 808 O LEU B 36 -0.733 8.646 -12.058 1.00 0.00 O ATOM 809 CB LEU B 36 0.671 5.555 -13.055 1.00 0.00 C ATOM 810 CG LEU B 36 0.676 4.947 -11.637 1.00 0.00 C ATOM 811 CD1 LEU B 36 -0.728 4.931 -11.032 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.157 3.495 -11.694 1.00 0.00 C ATOM 0 H LEU B 36 1.569 7.736 -11.494 1.00 0.00 H new ATOM 0 HA LEU B 36 0.813 7.302 -14.292 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.212 5.174 -13.568 1.00 0.00 H new ATOM 0 HB3 LEU B 36 1.540 5.160 -13.581 1.00 0.00 H new ATOM 0 HG LEU B 36 1.337 5.562 -11.027 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.689 4.497 -10.033 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.109 5.950 -10.970 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -1.389 4.335 -11.661 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.158 3.072 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.489 2.915 -12.331 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.167 3.462 -12.102 1.00 0.00 H new ATOM 824 N TYR B 37 -1.665 7.301 -13.616 1.00 0.00 N ATOM 825 CA TYR B 37 -2.988 7.919 -13.703 1.00 0.00 C ATOM 826 C TYR B 37 -4.092 6.862 -13.635 1.00 0.00 C ATOM 827 O TYR B 37 -4.472 6.263 -14.645 1.00 0.00 O ATOM 828 CB TYR B 37 -3.069 8.777 -14.973 1.00 0.00 C ATOM 829 CG TYR B 37 -2.225 10.036 -14.902 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.733 11.175 -14.249 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.929 10.064 -15.456 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.962 12.349 -14.164 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.144 11.229 -15.353 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.660 12.377 -14.711 1.00 0.00 C ATOM 835 OH TYR B 37 0.101 13.504 -14.629 1.00 0.00 O ATOM 0 H TYR B 37 -1.593 6.455 -14.182 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.142 8.575 -12.846 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.748 8.181 -15.827 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.108 9.054 -15.150 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.720 11.148 -13.811 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.538 9.192 -15.959 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -2.365 13.227 -13.681 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.854 11.245 -15.765 1.00 0.00 H new ATOM 0 HH TYR B 37 0.968 13.345 -15.056 1.00 0.00 H new ATOM 845 N PHE B 38 -4.585 6.609 -12.425 1.00 0.00 N ATOM 846 CA PHE B 38 -5.801 5.862 -12.146 1.00 0.00 C ATOM 847 C PHE B 38 -7.058 6.710 -12.426 1.00 0.00 C ATOM 848 O PHE B 38 -6.973 7.912 -12.697 1.00 0.00 O ATOM 849 CB PHE B 38 -5.728 5.452 -10.667 1.00 0.00 C ATOM 850 CG PHE B 38 -4.945 4.185 -10.387 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.385 2.954 -10.909 1.00 0.00 C ATOM 852 CD2 PHE B 38 -3.814 4.219 -9.552 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.726 1.760 -10.567 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.138 3.027 -9.241 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.593 1.800 -9.743 1.00 0.00 C ATOM 0 H PHE B 38 -4.124 6.936 -11.576 1.00 0.00 H new ATOM 0 HA PHE B 38 -5.876 4.988 -12.792 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.280 6.269 -10.102 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.743 5.323 -10.292 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.234 2.927 -11.576 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.466 5.159 -9.151 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.092 0.814 -10.938 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.262 3.057 -8.611 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.072 0.887 -9.495 1.00 0.00 H new ATOM 865 N SER B 39 -8.237 6.103 -12.284 1.00 0.00 N ATOM 866 CA SER B 39 -9.508 6.815 -12.143 1.00 0.00 C ATOM 867 C SER B 39 -10.263 6.328 -10.909 1.00 0.00 C ATOM 868 O SER B 39 -9.809 5.437 -10.187 1.00 0.00 O ATOM 869 CB SER B 39 -10.327 6.727 -13.439 1.00 0.00 C ATOM 870 OG SER B 39 -11.373 7.687 -13.427 1.00 0.00 O ATOM 0 H SER B 39 -8.337 5.088 -12.263 1.00 0.00 H new ATOM 0 HA SER B 39 -9.312 7.875 -11.981 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.679 6.896 -14.299 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.744 5.726 -13.546 1.00 0.00 H new ATOM 0 HG SER B 39 -11.886 7.622 -14.259 1.00 0.00 H new ATOM 876 N ASP B 40 -11.374 6.988 -10.596 1.00 0.00 N ATOM 877 CA ASP B 40 -11.970 6.954 -9.264 1.00 0.00 C ATOM 878 C ASP B 40 -12.466 5.558 -8.853 1.00 0.00 C ATOM 879 O ASP B 40 -12.438 5.223 -7.675 1.00 0.00 O ATOM 880 CB ASP B 40 -13.076 8.015 -9.170 1.00 0.00 C ATOM 881 CG ASP B 40 -13.227 8.539 -7.736 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.230 9.081 -7.201 1.00 0.00 O ATOM 883 OD2 ASP B 40 -14.337 8.455 -7.162 1.00 0.00 O ATOM 0 H ASP B 40 -11.889 7.564 -11.262 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.187 7.193 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.846 8.844 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.021 7.588 -9.505 1.00 0.00 H new ATOM 888 N GLU B 41 -12.864 4.703 -9.798 1.00 0.00 N ATOM 889 CA GLU B 41 -13.244 3.304 -9.553 1.00 0.00 C ATOM 890 C GLU B 41 -12.067 2.475 -9.019 1.00 0.00 C ATOM 891 O GLU B 41 -12.158 1.856 -7.957 1.00 0.00 O ATOM 892 CB GLU B 41 -13.757 2.679 -10.856 1.00 0.00 C ATOM 893 CG GLU B 41 -15.007 3.375 -11.409 1.00 0.00 C ATOM 894 CD GLU B 41 -16.304 2.710 -10.912 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.749 3.016 -9.779 1.00 0.00 O ATOM 896 OE2 GLU B 41 -16.890 1.881 -11.651 1.00 0.00 O ATOM 0 H GLU B 41 -12.934 4.968 -10.780 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.027 3.299 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -12.966 2.717 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -13.982 1.627 -10.683 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.000 4.424 -11.111 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -14.982 3.353 -12.498 1.00 0.00 H new ATOM 903 N GLN B 42 -10.945 2.495 -9.745 1.00 0.00 N ATOM 904 CA GLN B 42 -9.679 1.865 -9.350 1.00 0.00 C ATOM 905 C GLN B 42 -9.191 2.420 -8.004 1.00 0.00 C ATOM 906 O GLN B 42 -8.834 1.662 -7.104 1.00 0.00 O ATOM 907 CB GLN B 42 -8.604 2.074 -10.424 1.00 0.00 C ATOM 908 CG GLN B 42 -8.925 1.450 -11.794 1.00 0.00 C ATOM 909 CD GLN B 42 -9.923 2.251 -12.625 1.00 0.00 C ATOM 910 OE1 GLN B 42 -9.814 3.458 -12.777 1.00 0.00 O ATOM 911 NE2 GLN B 42 -10.933 1.626 -13.190 1.00 0.00 N ATOM 0 H GLN B 42 -10.890 2.963 -10.650 1.00 0.00 H new ATOM 0 HA GLN B 42 -9.859 0.795 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.447 3.144 -10.557 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.664 1.657 -10.062 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -7.999 1.345 -12.359 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.320 0.446 -11.640 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -11.039 0.618 -13.073 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -11.610 2.149 -13.745 1.00 0.00 H new ATOM 920 N TYR B 43 -9.217 3.747 -7.845 1.00 0.00 N ATOM 921 CA TYR B 43 -8.741 4.427 -6.640 1.00 0.00 C ATOM 922 C TYR B 43 -9.583 4.064 -5.407 1.00 0.00 C ATOM 923 O TYR B 43 -9.042 3.821 -4.328 1.00 0.00 O ATOM 924 CB TYR B 43 -8.746 5.931 -6.914 1.00 0.00 C ATOM 925 CG TYR B 43 -7.912 6.749 -5.950 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.528 6.885 -6.174 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.516 7.396 -4.854 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.748 7.682 -5.317 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.734 8.183 -3.985 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.350 8.331 -4.215 1.00 0.00 C ATOM 931 OH TYR B 43 -5.606 9.109 -3.382 1.00 0.00 O ATOM 0 H TYR B 43 -9.573 4.384 -8.557 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.727 4.100 -6.408 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.382 6.104 -7.927 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.775 6.290 -6.880 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -6.065 6.376 -7.006 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.577 7.289 -4.680 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.690 7.798 -5.501 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -8.195 8.674 -3.141 1.00 0.00 H new ATOM 0 HH TYR B 43 -6.181 9.479 -2.679 1.00 0.00 H new ATOM 941 N GLN B 44 -10.904 3.948 -5.581 1.00 0.00 N ATOM 942 CA GLN B 44 -11.839 3.500 -4.549 1.00 0.00 C ATOM 943 C GLN B 44 -11.591 2.045 -4.151 1.00 0.00 C ATOM 944 O GLN B 44 -11.575 1.736 -2.963 1.00 0.00 O ATOM 945 CB GLN B 44 -13.295 3.655 -5.006 1.00 0.00 C ATOM 946 CG GLN B 44 -13.828 5.086 -4.851 1.00 0.00 C ATOM 947 CD GLN B 44 -15.181 5.239 -5.546 1.00 0.00 C ATOM 948 OE1 GLN B 44 -16.230 5.348 -4.923 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.203 5.213 -6.861 1.00 0.00 N ATOM 0 H GLN B 44 -11.361 4.169 -6.466 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.666 4.136 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.375 3.356 -6.051 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.924 2.976 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.928 5.329 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.114 5.793 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.332 5.122 -7.384 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -16.091 5.283 -7.358 1.00 0.00 H new ATOM 958 N LYS B 45 -11.375 1.141 -5.115 1.00 0.00 N ATOM 959 CA LYS B 45 -11.040 -0.261 -4.852 1.00 0.00 C ATOM 960 C LYS B 45 -9.733 -0.415 -4.065 1.00 0.00 C ATOM 961 O LYS B 45 -9.680 -1.218 -3.133 1.00 0.00 O ATOM 962 CB LYS B 45 -11.017 -1.029 -6.183 1.00 0.00 C ATOM 963 CG LYS B 45 -12.164 -2.046 -6.307 1.00 0.00 C ATOM 964 CD LYS B 45 -13.537 -1.366 -6.458 1.00 0.00 C ATOM 965 CE LYS B 45 -14.700 -2.370 -6.429 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.729 -3.256 -7.623 1.00 0.00 N ATOM 0 H LYS B 45 -11.429 1.366 -6.108 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.810 -0.691 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.077 -0.319 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.064 -1.550 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.984 -2.690 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.174 -2.687 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.669 -0.640 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.563 -0.813 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.623 -2.982 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -15.642 -1.825 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.533 -3.912 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.831 -2.678 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -13.843 -3.799 -7.674 1.00 0.00 H new ATOM 980 N LEU B 46 -8.702 0.377 -4.376 1.00 0.00 N ATOM 981 CA LEU B 46 -7.468 0.424 -3.589 1.00 0.00 C ATOM 982 C LEU B 46 -7.712 0.983 -2.181 1.00 0.00 C ATOM 983 O LEU B 46 -7.259 0.395 -1.203 1.00 0.00 O ATOM 984 CB LEU B 46 -6.418 1.216 -4.367 1.00 0.00 C ATOM 985 CG LEU B 46 -5.600 0.399 -5.387 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.388 -0.311 -4.755 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.374 -0.646 -6.193 1.00 0.00 C ATOM 0 H LEU B 46 -8.701 1.003 -5.181 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.094 -0.588 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -6.917 2.029 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.730 1.672 -3.655 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.283 1.179 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.852 -0.869 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -3.722 0.430 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.731 -0.997 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.694 -1.156 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.819 -1.373 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.161 -0.155 -6.765 1.00 0.00 H new ATOM 999 N GLU B 47 -8.479 2.065 -2.051 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.891 2.624 -0.755 1.00 0.00 C ATOM 1001 C GLU B 47 -9.700 1.636 0.108 1.00 0.00 C ATOM 1002 O GLU B 47 -9.482 1.550 1.317 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.651 3.940 -0.982 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.963 4.698 0.315 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.736 5.996 0.015 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.991 5.959 -0.026 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -10.100 7.060 -0.182 1.00 0.00 O ATOM 0 H GLU B 47 -8.838 2.587 -2.850 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.987 2.826 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.062 4.583 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.585 3.726 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.550 4.065 0.980 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -9.035 4.934 0.836 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.592 0.845 -0.500 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.423 -0.164 0.174 1.00 0.00 C ATOM 1016 C LYS B 48 -10.592 -1.276 0.815 1.00 0.00 C ATOM 1017 O LYS B 48 -10.928 -1.735 1.907 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.460 -0.748 -0.805 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.711 0.134 -0.961 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.676 -0.014 0.230 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.974 0.782 0.044 1.00 0.00 C ATOM 1022 NZ LYS B 48 -15.766 2.251 0.173 1.00 0.00 N ATOM 0 H LYS B 48 -10.762 0.889 -1.505 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.947 0.341 0.985 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.994 -0.881 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.761 -1.736 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.409 1.177 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.229 -0.132 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.918 -1.068 0.367 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -14.177 0.320 1.140 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -16.393 0.563 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -16.706 0.456 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.672 2.743 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -15.391 2.467 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -15.089 2.570 -0.549 1.00 0.00 H new ATOM 1036 N MET B 49 -9.489 -1.674 0.180 1.00 0.00 N ATOM 1037 CA MET B 49 -8.483 -2.550 0.749 1.00 0.00 C ATOM 1038 C MET B 49 -7.646 -1.824 1.809 1.00 0.00 C ATOM 1039 O MET B 49 -7.457 -2.333 2.913 1.00 0.00 O ATOM 1040 CB MET B 49 -7.573 -2.992 -0.390 1.00 0.00 C ATOM 1041 CG MET B 49 -8.184 -4.025 -1.338 1.00 0.00 C ATOM 1042 SD MET B 49 -6.943 -4.776 -2.425 1.00 0.00 S ATOM 1043 CE MET B 49 -6.426 -3.306 -3.344 1.00 0.00 C ATOM 0 H MET B 49 -9.271 -1.383 -0.773 1.00 0.00 H new ATOM 0 HA MET B 49 -8.967 -3.398 1.232 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.287 -2.114 -0.969 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.658 -3.406 0.035 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.674 -4.805 -0.755 1.00 0.00 H new ATOM 0 HG3 MET B 49 -8.955 -3.548 -1.944 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.697 -3.589 -4.103 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.293 -2.854 -3.825 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.976 -2.588 -2.658 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.163 -0.619 1.494 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.293 0.180 2.349 1.00 0.00 C ATOM 1055 C ALA B 50 -6.933 0.542 3.693 1.00 0.00 C ATOM 1056 O ALA B 50 -6.217 0.651 4.679 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.836 1.423 1.579 1.00 0.00 C ATOM 0 H ALA B 50 -7.376 -0.162 0.608 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.424 -0.426 2.606 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.185 2.025 2.213 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.291 1.118 0.686 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.706 2.012 1.290 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.259 0.658 3.786 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.983 0.833 5.048 1.00 0.00 C ATOM 1065 C ASN B 51 -8.716 -0.300 6.063 1.00 0.00 C ATOM 1066 O ASN B 51 -8.709 -0.049 7.268 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.474 0.988 4.717 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.341 1.154 5.954 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -12.007 0.233 6.404 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.369 2.328 6.545 1.00 0.00 N ATOM 0 H ASN B 51 -8.872 0.633 2.971 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.620 1.730 5.549 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.609 1.852 4.067 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.810 0.114 4.159 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -11.945 2.467 7.375 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -10.815 3.099 6.173 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.407 -1.516 5.601 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.981 -2.640 6.447 1.00 0.00 C ATOM 1079 C GLU B 52 -6.567 -2.431 7.034 1.00 0.00 C ATOM 1080 O GLU B 52 -6.272 -2.852 8.153 1.00 0.00 O ATOM 1081 CB GLU B 52 -8.051 -3.947 5.633 1.00 0.00 C ATOM 1082 CG GLU B 52 -8.038 -5.227 6.481 1.00 0.00 C ATOM 1083 CD GLU B 52 -9.336 -5.400 7.297 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -10.337 -5.923 6.748 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -9.365 -5.028 8.494 1.00 0.00 O ATOM 0 H GLU B 52 -8.446 -1.753 4.610 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.661 -2.701 7.296 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.958 -3.936 5.029 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -7.208 -3.975 4.942 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -7.903 -6.091 5.830 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -7.185 -5.203 7.159 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.700 -1.727 6.297 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.365 -1.259 6.706 1.00 0.00 C ATOM 1094 C GLU B 53 -4.407 0.137 7.386 1.00 0.00 C ATOM 1095 O GLU B 53 -3.378 0.678 7.792 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.461 -1.277 5.456 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.948 -1.321 5.721 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.522 -2.600 6.471 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -1.374 -3.667 5.827 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -1.319 -2.548 7.709 1.00 0.00 O ATOM 0 H GLU B 53 -5.923 -1.451 5.341 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.958 -1.925 7.467 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.729 -2.143 4.850 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.680 -0.391 4.860 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.413 -1.263 4.773 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.658 -0.447 6.304 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.608 0.707 7.544 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.932 2.010 8.151 1.00 0.00 C ATOM 1109 C GLU B 54 -5.584 3.213 7.240 1.00 0.00 C ATOM 1110 O GLU B 54 -5.018 4.223 7.661 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.406 2.100 9.600 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.267 3.036 10.456 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.698 3.166 11.882 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.058 2.345 12.763 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.896 4.097 12.143 1.00 0.00 O ATOM 0 H GLU B 54 -6.451 0.231 7.224 1.00 0.00 H new ATOM 0 HA GLU B 54 -7.017 2.078 8.236 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.395 1.106 10.046 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.376 2.457 9.592 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.314 4.020 9.989 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.287 2.656 10.502 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.987 3.098 5.970 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.911 4.068 4.865 1.00 0.00 C ATOM 1124 C GLU B 55 -4.491 4.580 4.558 1.00 0.00 C ATOM 1125 O GLU B 55 -4.046 5.646 4.991 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.920 5.206 5.035 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.374 4.733 5.189 1.00 0.00 C ATOM 1128 CD GLU B 55 -9.327 5.931 5.362 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -9.633 6.623 4.362 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -9.795 6.176 6.501 1.00 0.00 O ATOM 0 H GLU B 55 -6.422 2.231 5.654 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.195 3.507 3.974 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.645 5.794 5.911 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.854 5.869 4.172 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.667 4.154 4.313 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.456 4.071 6.051 1.00 0.00 H new ATOM 1137 N SER B 56 -3.798 3.800 3.733 1.00 0.00 N ATOM 1138 CA SER B 56 -2.401 3.940 3.303 1.00 0.00 C ATOM 1139 C SER B 56 -2.261 3.980 1.769 1.00 0.00 C ATOM 1140 O SER B 56 -1.255 3.541 1.219 1.00 0.00 O ATOM 1141 CB SER B 56 -1.592 2.786 3.912 1.00 0.00 C ATOM 1142 OG SER B 56 -2.113 1.533 3.489 1.00 0.00 O ATOM 0 H SER B 56 -4.233 2.981 3.309 1.00 0.00 H new ATOM 0 HA SER B 56 -2.013 4.895 3.659 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.547 2.871 3.615 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.620 2.849 5.000 1.00 0.00 H new ATOM 0 HG SER B 56 -1.585 0.809 3.885 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.291 4.458 1.059 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.600 4.145 -0.356 1.00 0.00 C ATOM 1150 C VAL B 57 -2.397 4.175 -1.311 1.00 0.00 C ATOM 1151 O VAL B 57 -2.181 3.209 -2.040 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.743 5.028 -0.912 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.316 4.439 -2.208 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.909 5.187 0.076 1.00 0.00 C ATOM 0 H VAL B 57 -3.967 5.104 1.467 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.928 3.106 -0.322 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.292 6.004 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.117 5.080 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.528 4.376 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.710 3.442 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.680 5.816 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.328 4.207 0.305 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.548 5.651 0.994 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.579 5.233 -1.294 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.378 5.349 -2.139 1.00 0.00 C ATOM 1166 C GLY B 58 0.650 4.237 -1.890 1.00 0.00 C ATOM 1167 O GLY B 58 1.192 3.650 -2.829 1.00 0.00 O ATOM 0 H GLY B 58 -1.730 6.041 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.677 5.330 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.092 6.316 -1.959 1.00 0.00 H new ATOM 1171 N SER B 59 0.884 3.890 -0.626 1.00 0.00 N ATOM 1172 CA SER B 59 1.698 2.745 -0.225 1.00 0.00 C ATOM 1173 C SER B 59 1.022 1.422 -0.570 1.00 0.00 C ATOM 1174 O SER B 59 1.702 0.491 -0.995 1.00 0.00 O ATOM 1175 CB SER B 59 1.945 2.788 1.281 1.00 0.00 C ATOM 1176 OG SER B 59 2.559 4.004 1.686 1.00 0.00 O ATOM 0 H SER B 59 0.504 4.409 0.166 1.00 0.00 H new ATOM 0 HA SER B 59 2.640 2.807 -0.770 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.998 2.667 1.807 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.578 1.949 1.568 1.00 0.00 H new ATOM 0 HG SER B 59 2.698 3.993 2.656 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.307 1.331 -0.445 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.067 0.134 -0.809 1.00 0.00 C ATOM 1184 C TYR B 60 -0.935 -0.205 -2.297 1.00 0.00 C ATOM 1185 O TYR B 60 -0.757 -1.364 -2.660 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.545 0.275 -0.425 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.152 -1.071 -0.069 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.493 -1.986 -1.086 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.270 -1.452 1.282 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -3.924 -3.286 -0.760 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -3.726 -2.743 1.614 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.042 -3.667 0.596 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.456 -4.921 0.927 1.00 0.00 O ATOM 0 H TYR B 60 -0.886 2.090 -0.087 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.637 -0.692 -0.242 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.640 0.955 0.422 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.098 0.718 -1.253 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.423 -1.688 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.011 -0.754 2.064 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.164 -3.990 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -3.834 -3.026 2.651 1.00 0.00 H new ATOM 0 HH TYR B 60 -4.479 -5.011 1.903 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.958 0.813 -3.159 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.753 0.706 -4.613 1.00 0.00 C ATOM 1205 C ILE B 61 0.583 0.026 -4.883 1.00 0.00 C ATOM 1206 O ILE B 61 0.627 -0.980 -5.591 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.862 2.097 -5.286 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.341 2.534 -5.327 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.257 2.154 -6.705 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.517 4.019 -5.641 1.00 0.00 C ATOM 0 H ILE B 61 -1.126 1.773 -2.857 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.537 0.090 -5.054 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.272 2.783 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.867 1.945 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.806 2.314 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.372 3.160 -7.109 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.802 1.900 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.773 1.443 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.579 4.264 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.018 4.614 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.080 4.239 -6.615 1.00 0.00 H new ATOM 1222 N LYS B 62 1.657 0.523 -4.257 1.00 0.00 N ATOM 1223 CA LYS B 62 2.970 -0.117 -4.327 1.00 0.00 C ATOM 1224 C LYS B 62 2.902 -1.564 -3.817 1.00 0.00 C ATOM 1225 O LYS B 62 3.181 -2.499 -4.555 1.00 0.00 O ATOM 1226 CB LYS B 62 4.002 0.728 -3.558 1.00 0.00 C ATOM 1227 CG LYS B 62 5.434 0.253 -3.875 1.00 0.00 C ATOM 1228 CD LYS B 62 6.536 0.815 -2.962 1.00 0.00 C ATOM 1229 CE LYS B 62 6.733 2.336 -3.061 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.065 3.066 -1.948 1.00 0.00 N ATOM 0 H LYS B 62 1.638 1.373 -3.693 1.00 0.00 H new ATOM 0 HA LYS B 62 3.292 -0.169 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.893 1.779 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.816 0.653 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.458 -0.835 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.668 0.522 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.300 0.559 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.478 0.323 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.799 2.563 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS B 62 6.338 2.690 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 6.225 4.088 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.044 2.872 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 6.459 2.749 -1.039 1.00 0.00 H new ATOM 1244 N ARG B 63 2.476 -1.759 -2.571 1.00 0.00 N ATOM 1245 CA ARG B 63 2.361 -3.039 -1.845 1.00 0.00 C ATOM 1246 C ARG B 63 1.631 -4.118 -2.642 1.00 0.00 C ATOM 1247 O ARG B 63 2.039 -5.272 -2.590 1.00 0.00 O ATOM 1248 CB ARG B 63 1.658 -2.771 -0.499 1.00 0.00 C ATOM 1249 CG ARG B 63 1.549 -3.956 0.475 1.00 0.00 C ATOM 1250 CD ARG B 63 2.887 -4.353 1.116 1.00 0.00 C ATOM 1251 NE ARG B 63 3.656 -5.311 0.297 1.00 0.00 N ATOM 1252 CZ ARG B 63 4.913 -5.671 0.497 1.00 0.00 C ATOM 1253 NH1 ARG B 63 5.681 -5.061 1.355 1.00 0.00 N ATOM 1254 NH2 ARG B 63 5.433 -6.665 -0.162 1.00 0.00 N ATOM 0 H ARG B 63 2.178 -0.974 -1.992 1.00 0.00 H new ATOM 0 HA ARG B 63 3.365 -3.431 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.188 -1.964 0.006 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.651 -2.409 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG B 63 0.840 -3.703 1.263 1.00 0.00 H new ATOM 0 HG3 ARG B 63 1.142 -4.816 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG B 63 3.487 -3.457 1.277 1.00 0.00 H new ATOM 0 HD3 ARG B 63 2.699 -4.791 2.096 1.00 0.00 H new ATOM 0 HE ARG B 63 3.174 -5.734 -0.496 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.317 -4.278 1.899 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.646 -5.366 1.483 1.00 0.00 H new ATOM 0 HH21 ARG B 63 4.870 -7.176 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG B 63 6.404 -6.933 0.001 1.00 0.00 H new ATOM 1268 N TYR B 64 0.595 -3.758 -3.399 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.254 -4.681 -4.158 1.00 0.00 C ATOM 1270 C TYR B 64 0.458 -5.295 -5.367 1.00 0.00 C ATOM 1271 O TYR B 64 0.339 -6.486 -5.647 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.493 -3.921 -4.631 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.680 -4.745 -5.104 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.822 -6.117 -4.802 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.676 -4.094 -5.856 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.948 -6.830 -5.251 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.797 -4.806 -6.314 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.942 -6.171 -6.002 1.00 0.00 C ATOM 1279 OH TYR B 64 -6.032 -6.850 -6.436 1.00 0.00 O ATOM 0 H TYR B 64 0.313 -2.784 -3.506 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.519 -5.506 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.830 -3.283 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.194 -3.262 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.062 -6.621 -4.223 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.578 -3.042 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.051 -7.880 -5.021 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.549 -4.305 -6.906 1.00 0.00 H new ATOM 0 HH TYR B 64 -6.239 -7.572 -5.807 1.00 0.00 H new ATOM 1289 N ILE B 65 1.268 -4.473 -6.029 1.00 0.00 N ATOM 1290 CA ILE B 65 2.241 -4.880 -7.057 1.00 0.00 C ATOM 1291 C ILE B 65 3.157 -5.943 -6.467 1.00 0.00 C ATOM 1292 O ILE B 65 3.313 -7.011 -7.048 1.00 0.00 O ATOM 1293 CB ILE B 65 3.077 -3.688 -7.582 1.00 0.00 C ATOM 1294 CG1 ILE B 65 2.237 -2.593 -8.256 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.241 -4.103 -8.487 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.744 -2.929 -9.662 1.00 0.00 C ATOM 0 H ILE B 65 1.270 -3.467 -5.863 1.00 0.00 H new ATOM 0 HA ILE B 65 1.691 -5.278 -7.910 1.00 0.00 H new ATOM 0 HB ILE B 65 3.506 -3.258 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.373 -2.380 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.830 -1.680 -8.304 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.781 -3.215 -8.816 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.917 -4.755 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.854 -4.635 -9.356 1.00 0.00 H new ATOM 0 HD11 ILE B 65 1.161 -2.095 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.599 -3.111 -10.313 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.120 -3.822 -9.625 1.00 0.00 H new ATOM 1308 N LEU B 66 3.726 -5.676 -5.288 1.00 0.00 N ATOM 1309 CA LEU B 66 4.695 -6.566 -4.650 1.00 0.00 C ATOM 1310 C LEU B 66 4.018 -7.864 -4.178 1.00 0.00 C ATOM 1311 O LEU B 66 4.582 -8.952 -4.299 1.00 0.00 O ATOM 1312 CB LEU B 66 5.384 -5.821 -3.491 1.00 0.00 C ATOM 1313 CG LEU B 66 5.917 -4.411 -3.812 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.716 -3.855 -2.640 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.773 -4.340 -5.073 1.00 0.00 C ATOM 0 H LEU B 66 3.526 -4.833 -4.749 1.00 0.00 H new ATOM 0 HA LEU B 66 5.457 -6.855 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.676 -5.740 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.216 -6.430 -3.138 1.00 0.00 H new ATOM 0 HG LEU B 66 5.028 -3.806 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.082 -2.859 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.077 -3.797 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.561 -4.511 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.108 -3.314 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.639 -4.992 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.184 -4.663 -5.931 1.00 0.00 H new ATOM 1327 N LYS B 67 2.771 -7.747 -3.707 1.00 0.00 N ATOM 1328 CA LYS B 67 1.887 -8.847 -3.310 1.00 0.00 C ATOM 1329 C LYS B 67 1.560 -9.777 -4.481 1.00 0.00 C ATOM 1330 O LYS B 67 1.554 -10.992 -4.308 1.00 0.00 O ATOM 1331 CB LYS B 67 0.624 -8.256 -2.665 1.00 0.00 C ATOM 1332 CG LYS B 67 -0.259 -9.337 -2.027 1.00 0.00 C ATOM 1333 CD LYS B 67 -1.408 -8.712 -1.219 1.00 0.00 C ATOM 1334 CE LYS B 67 -2.212 -9.755 -0.429 1.00 0.00 C ATOM 1335 NZ LYS B 67 -3.001 -10.663 -1.306 1.00 0.00 N ATOM 0 H LYS B 67 2.329 -6.835 -3.587 1.00 0.00 H new ATOM 0 HA LYS B 67 2.400 -9.472 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS B 67 0.912 -7.529 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.050 -7.718 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -0.667 -9.982 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS B 67 0.347 -9.967 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -1.001 -7.973 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -2.076 -8.181 -1.897 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -1.529 -10.348 0.179 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -2.887 -9.243 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -3.523 -11.345 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -3.674 -10.104 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -2.358 -11.175 -1.943 1.00 0.00 H new ATOM 1349 N ALA B 68 1.342 -9.224 -5.672 1.00 0.00 N ATOM 1350 CA ALA B 68 1.226 -9.986 -6.920 1.00 0.00 C ATOM 1351 C ALA B 68 2.575 -10.594 -7.380 1.00 0.00 C ATOM 1352 O ALA B 68 2.626 -11.744 -7.820 1.00 0.00 O ATOM 1353 CB ALA B 68 0.600 -9.070 -7.977 1.00 0.00 C ATOM 0 H ALA B 68 1.239 -8.218 -5.803 1.00 0.00 H new ATOM 0 HA ALA B 68 0.581 -10.850 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA B 68 0.502 -9.613 -8.917 1.00 0.00 H new ATOM 0 HB2 ALA B 68 -0.385 -8.746 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.237 -8.198 -8.126 1.00 0.00 H new ATOM 1359 N LEU B 69 3.684 -9.852 -7.255 1.00 0.00 N ATOM 1360 CA LEU B 69 5.027 -10.215 -7.738 1.00 0.00 C ATOM 1361 C LEU B 69 5.640 -11.417 -7.011 1.00 0.00 C ATOM 1362 O LEU B 69 6.490 -12.104 -7.580 1.00 0.00 O ATOM 1363 CB LEU B 69 5.954 -8.990 -7.622 1.00 0.00 C ATOM 1364 CG LEU B 69 7.042 -8.896 -8.704 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.461 -8.331 -10.004 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.147 -7.947 -8.244 1.00 0.00 C ATOM 0 H LEU B 69 3.671 -8.942 -6.794 1.00 0.00 H new ATOM 0 HA LEU B 69 4.921 -10.520 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.345 -8.087 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.435 -9.008 -6.644 1.00 0.00 H new ATOM 0 HG LEU B 69 7.434 -9.899 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.246 -8.272 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.664 -8.984 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.059 -7.335 -9.820 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.916 -7.883 -9.014 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.727 -6.957 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU B 69 8.588 -8.323 -7.321 1.00 0.00 H new ATOM 1378 N ARG B 70 5.177 -11.708 -5.785 1.00 0.00 N ATOM 1379 CA ARG B 70 5.587 -12.885 -4.997 1.00 0.00 C ATOM 1380 C ARG B 70 5.455 -14.208 -5.770 1.00 0.00 C ATOM 1381 O ARG B 70 6.278 -15.109 -5.598 1.00 0.00 O ATOM 1382 CB ARG B 70 4.928 -12.900 -3.608 1.00 0.00 C ATOM 1383 CG ARG B 70 3.528 -13.488 -3.698 1.00 0.00 C ATOM 1384 CD ARG B 70 2.697 -13.356 -2.415 1.00 0.00 C ATOM 1385 NE ARG B 70 3.089 -14.362 -1.404 1.00 0.00 N ATOM 1386 CZ ARG B 70 3.875 -14.216 -0.352 1.00 0.00 C ATOM 1387 NH1 ARG B 70 4.445 -13.082 -0.056 1.00 0.00 N ATOM 1388 NH2 ARG B 70 4.110 -15.228 0.433 1.00 0.00 N ATOM 0 H ARG B 70 4.495 -11.122 -5.303 1.00 0.00 H new ATOM 0 HA ARG B 70 6.658 -12.788 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.533 -13.486 -2.917 1.00 0.00 H new ATOM 0 HB3 ARG B 70 4.880 -11.887 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG B 70 2.994 -12.999 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG B 70 3.607 -14.544 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG B 70 2.823 -12.356 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG B 70 1.640 -13.472 -2.653 1.00 0.00 H new ATOM 0 HE ARG B 70 2.700 -15.295 -1.537 1.00 0.00 H new ATOM 0 HH11 ARG B 70 4.291 -12.264 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.045 -13.012 0.766 1.00 0.00 H new ATOM 0 HH21 ARG B 70 3.687 -16.135 0.236 1.00 0.00 H new ATOM 0 HH22 ARG B 70 4.717 -15.114 1.245 1.00 0.00 H new ATOM 1402 N LYS B 71 4.424 -14.299 -6.621 1.00 0.00 N ATOM 1403 CA LYS B 71 4.117 -15.415 -7.528 1.00 0.00 C ATOM 1404 C LYS B 71 3.248 -14.937 -8.703 1.00 0.00 C ATOM 1405 O LYS B 71 2.033 -15.144 -8.720 1.00 0.00 O ATOM 1406 CB LYS B 71 3.500 -16.576 -6.734 1.00 0.00 C ATOM 1407 CG LYS B 71 3.408 -17.872 -7.556 1.00 0.00 C ATOM 1408 CD LYS B 71 2.865 -19.026 -6.705 1.00 0.00 C ATOM 1409 CE LYS B 71 2.788 -20.306 -7.547 1.00 0.00 C ATOM 1410 NZ LYS B 71 2.292 -21.457 -6.748 1.00 0.00 N ATOM 0 H LYS B 71 3.738 -13.548 -6.700 1.00 0.00 H new ATOM 0 HA LYS B 71 5.035 -15.795 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS B 71 4.098 -16.758 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS B 71 2.503 -16.292 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS B 71 2.759 -17.715 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS B 71 4.394 -18.133 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS B 71 3.510 -19.187 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS B 71 1.877 -18.773 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS B 71 2.128 -20.143 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS B 71 3.775 -20.539 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 2.253 -22.305 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 2.935 -21.628 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 1.340 -21.244 -6.387 1.00 0.00 H new ATOM 1424 N ILE B 72 3.885 -14.286 -9.683 1.00 0.00 N ATOM 1425 CA ILE B 72 3.284 -13.821 -10.948 1.00 0.00 C ATOM 1426 C ILE B 72 2.438 -14.916 -11.629 1.00 0.00 C ATOM 1427 O ILE B 72 1.285 -14.677 -11.998 1.00 0.00 O ATOM 1428 CB ILE B 72 4.393 -13.301 -11.896 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.334 -12.328 -11.146 1.00 0.00 C ATOM 1430 CG2 ILE B 72 3.776 -12.668 -13.157 1.00 0.00 C ATOM 1431 CD1 ILE B 72 6.149 -11.350 -11.995 1.00 0.00 C ATOM 0 H ILE B 72 4.877 -14.057 -9.618 1.00 0.00 H new ATOM 0 HA ILE B 72 2.602 -13.003 -10.715 1.00 0.00 H new ATOM 0 HB ILE B 72 5.001 -14.143 -12.228 1.00 0.00 H new ATOM 0 HG12 ILE B 72 4.732 -11.748 -10.446 1.00 0.00 H new ATOM 0 HG13 ILE B 72 6.030 -12.921 -10.552 1.00 0.00 H new ATOM 0 HG21 ILE B 72 4.571 -12.309 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE B 72 3.182 -13.414 -13.685 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.138 -11.833 -12.870 1.00 0.00 H new ATOM 0 HD11 ILE B 72 6.764 -10.728 -11.344 1.00 0.00 H new ATOM 0 HD12 ILE B 72 6.791 -11.908 -12.677 1.00 0.00 H new ATOM 0 HD13 ILE B 72 5.473 -10.716 -12.569 1.00 0.00 H new ATOM 1443 N GLU B 73 2.999 -16.124 -11.766 1.00 0.00 N ATOM 1444 CA GLU B 73 2.392 -17.336 -12.331 1.00 0.00 C ATOM 1445 C GLU B 73 2.676 -18.582 -11.470 1.00 0.00 C ATOM 1446 O GLU B 73 3.853 -18.810 -11.101 1.00 0.00 O ATOM 1447 CB GLU B 73 2.919 -17.538 -13.759 1.00 0.00 C ATOM 1448 CG GLU B 73 2.282 -16.587 -14.785 1.00 0.00 C ATOM 1449 CD GLU B 73 2.715 -16.942 -16.225 1.00 0.00 C ATOM 1450 OE1 GLU B 73 3.793 -16.483 -16.680 1.00 0.00 O ATOM 1451 OE2 GLU B 73 1.976 -17.681 -16.926 1.00 0.00 O ATOM 0 H GLU B 73 3.958 -16.292 -11.463 1.00 0.00 H new ATOM 0 HA GLU B 73 1.310 -17.204 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU B 73 3.999 -17.394 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU B 73 2.733 -18.568 -14.065 1.00 0.00 H new ATOM 0 HG2 GLU B 73 1.196 -16.639 -14.706 1.00 0.00 H new ATOM 0 HG3 GLU B 73 2.569 -15.560 -14.559 1.00 0.00 H new TER 1458 GLU B 73