USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 776 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 41 MET CE :methyl 148:sc= -3.44! (180deg=-1.36) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -0.407 USER MOD Set 2.1: A 28 MET CE :methyl 167:sc= -24.8! (180deg=-22.9!) USER MOD Set 2.2: A 80 MET CE :methyl 142:sc= -14.5! (180deg=-16.6!) USER MOD Set 3.1: A 21 MET CE :methyl -107:sc= -0.648 (180deg=-4.49!) USER MOD Set 3.2: A 76 TYR OH : rot 2:sc= -9.97! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -140:sc= -0.0102 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.5!) USER MOD Single : A 33 SER OG : rot 78:sc= -3.17! USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0.0834 (180deg=0.0417) USER MOD Single : A 49 ASN : amide:sc= -6.48! C(o=-6.5!,f=-10!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -22.6! C(o=-30!,f=-23!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 95:sc= 0.661 USER MOD Single : A 79 SER OG : rot -83:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= -0.325 (180deg=-0.427) USER MOD Single : A 83 HIS : no HD1:sc= -6.25! C(o=-6.3!,f=-12!) USER MOD Single : A 88 HIS : no HD1:sc= -25.7! C(o=-26!,f=-27!) USER MOD Single : A 89 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 96 SER OG : rot 26:sc= 0.814 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 99 CYS SG : rot -49:sc= 1.58 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 0.022 11.529 -9.935 1.00 0.00 N ATOM 2 CA GLU A 12 0.293 10.234 -9.344 1.00 0.00 C ATOM 3 C GLU A 12 1.054 10.409 -8.037 1.00 0.00 C ATOM 4 O GLU A 12 1.801 11.371 -7.874 1.00 0.00 O ATOM 5 CB GLU A 12 1.095 9.386 -10.327 1.00 0.00 C ATOM 6 CG GLU A 12 1.621 8.143 -9.616 1.00 0.00 C ATOM 7 CD GLU A 12 1.884 7.020 -10.608 1.00 0.00 C ATOM 8 OE1 GLU A 12 3.055 6.589 -10.680 1.00 0.00 O ATOM 9 OE2 GLU A 12 0.909 6.613 -11.276 1.00 0.00 O ATOM 0 HA GLU A 12 -0.647 9.726 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.468 9.097 -11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.925 9.966 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.540 8.386 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.898 7.813 -8.870 1.00 0.00 H new ATOM 17 N ALA A 13 0.862 9.473 -7.104 1.00 0.00 N ATOM 18 CA ALA A 13 1.529 9.527 -5.819 1.00 0.00 C ATOM 19 C ALA A 13 2.991 9.905 -6.012 1.00 0.00 C ATOM 20 O ALA A 13 3.497 9.882 -7.131 1.00 0.00 O ATOM 21 CB ALA A 13 1.407 8.173 -5.126 1.00 0.00 C ATOM 0 H ALA A 13 0.246 8.669 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 13 1.059 10.285 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.909 8.213 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.354 7.933 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.871 7.405 -5.744 1.00 0.00 H new ATOM 27 N PRO A 14 3.668 10.252 -4.915 1.00 0.00 N ATOM 28 CA PRO A 14 5.063 10.639 -4.907 1.00 0.00 C ATOM 29 C PRO A 14 5.934 9.414 -5.143 1.00 0.00 C ATOM 30 O PRO A 14 7.159 9.510 -5.133 1.00 0.00 O ATOM 31 CB PRO A 14 5.300 11.220 -3.514 1.00 0.00 C ATOM 32 CG PRO A 14 4.303 10.446 -2.651 1.00 0.00 C ATOM 33 CD PRO A 14 3.104 10.289 -3.583 1.00 0.00 C ATOM 0 HA PRO A 14 5.308 11.359 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.327 11.068 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.112 12.293 -3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.702 9.481 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.042 10.992 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.550 9.376 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.407 11.119 -3.472 1.00 0.00 H new ATOM 41 N LEU A 15 5.298 8.259 -5.353 1.00 0.00 N ATOM 42 CA LEU A 15 6.016 7.022 -5.588 1.00 0.00 C ATOM 43 C LEU A 15 5.822 6.578 -7.031 1.00 0.00 C ATOM 44 O LEU A 15 5.398 7.366 -7.874 1.00 0.00 O ATOM 45 CB LEU A 15 5.516 5.952 -4.622 1.00 0.00 C ATOM 46 CG LEU A 15 4.755 6.616 -3.478 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.738 5.633 -2.905 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.736 7.028 -2.385 1.00 0.00 C ATOM 0 H LEU A 15 4.283 8.164 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 15 7.081 7.178 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.867 5.249 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.356 5.379 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 15 4.236 7.499 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.194 6.107 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.036 5.339 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.256 4.750 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.192 7.502 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.256 6.146 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.462 7.731 -2.794 1.00 0.00 H new ATOM 60 N THR A 16 6.133 5.312 -7.316 1.00 0.00 N ATOM 61 CA THR A 16 5.989 4.774 -8.654 1.00 0.00 C ATOM 62 C THR A 16 5.779 3.268 -8.588 1.00 0.00 C ATOM 63 O THR A 16 4.842 2.742 -9.185 1.00 0.00 O ATOM 64 CB THR A 16 7.232 5.112 -9.473 1.00 0.00 C ATOM 65 OG1 THR A 16 7.903 6.201 -8.880 1.00 0.00 O ATOM 66 CG2 THR A 16 6.819 5.482 -10.894 1.00 0.00 C ATOM 0 H THR A 16 6.487 4.645 -6.630 1.00 0.00 H new ATOM 0 HA THR A 16 5.119 5.219 -9.136 1.00 0.00 H new ATOM 0 HB THR A 16 7.895 4.248 -9.501 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.702 6.418 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.706 5.724 -11.480 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.299 4.641 -11.353 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.156 6.347 -10.867 1.00 0.00 H new ATOM 74 N VAL A 17 6.657 2.574 -7.859 1.00 0.00 N ATOM 75 CA VAL A 17 6.565 1.135 -7.718 1.00 0.00 C ATOM 76 C VAL A 17 7.858 0.592 -7.127 1.00 0.00 C ATOM 77 O VAL A 17 7.846 -0.414 -6.422 1.00 0.00 O ATOM 78 CB VAL A 17 6.289 0.508 -9.082 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.304 -0.600 -9.347 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.880 -0.079 -9.095 1.00 0.00 C ATOM 0 H VAL A 17 7.440 2.996 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 17 5.746 0.883 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 17 6.373 1.270 -9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.107 -1.048 -10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.310 -0.182 -9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.220 -1.363 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.682 -0.527 -10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.796 -0.842 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.155 0.712 -8.905 1.00 0.00 H new ATOM 90 N LYS A 18 8.976 1.263 -7.414 1.00 0.00 N ATOM 91 CA LYS A 18 10.268 0.844 -6.909 1.00 0.00 C ATOM 92 C LYS A 18 10.660 1.703 -5.715 1.00 0.00 C ATOM 93 O LYS A 18 11.771 1.586 -5.201 1.00 0.00 O ATOM 94 CB LYS A 18 11.308 0.957 -8.020 1.00 0.00 C ATOM 95 CG LYS A 18 11.043 -0.113 -9.075 1.00 0.00 C ATOM 96 CD LYS A 18 12.257 -1.030 -9.188 1.00 0.00 C ATOM 97 CE LYS A 18 11.795 -2.484 -9.226 1.00 0.00 C ATOM 98 NZ LYS A 18 12.857 -3.388 -8.760 1.00 0.00 N ATOM 0 H LYS A 18 9.003 2.100 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 18 10.215 -0.194 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.266 1.948 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.310 0.837 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.160 -0.693 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.836 0.354 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.822 -0.793 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.926 -0.872 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.910 -2.604 -8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.506 -2.751 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.517 -4.370 -8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.692 -3.288 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.114 -3.146 -7.782 1.00 0.00 H new ATOM 112 N SER A 19 9.744 2.567 -5.274 1.00 0.00 N ATOM 113 CA SER A 19 9.998 3.438 -4.144 1.00 0.00 C ATOM 114 C SER A 19 10.377 2.607 -2.926 1.00 0.00 C ATOM 115 O SER A 19 9.820 1.534 -2.707 1.00 0.00 O ATOM 116 CB SER A 19 8.756 4.278 -3.860 1.00 0.00 C ATOM 117 OG SER A 19 8.869 5.520 -4.520 1.00 0.00 O ATOM 0 H SER A 19 8.819 2.676 -5.689 1.00 0.00 H new ATOM 0 HA SER A 19 10.827 4.106 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.863 3.753 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.646 4.433 -2.787 1.00 0.00 H new ATOM 0 HG SER A 19 8.528 6.232 -3.939 1.00 0.00 H new ATOM 123 N ASP A 20 11.326 3.107 -2.132 1.00 0.00 N ATOM 124 CA ASP A 20 11.773 2.410 -0.942 1.00 0.00 C ATOM 125 C ASP A 20 10.582 1.774 -0.241 1.00 0.00 C ATOM 126 O ASP A 20 9.647 2.468 0.152 1.00 0.00 O ATOM 127 CB ASP A 20 12.486 3.392 -0.016 1.00 0.00 C ATOM 128 CG ASP A 20 13.989 3.157 -0.029 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.468 2.491 0.915 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.633 3.649 -0.981 1.00 0.00 O ATOM 0 H ASP A 20 11.797 3.996 -2.300 1.00 0.00 H new ATOM 0 HA ASP A 20 12.471 1.620 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.271 4.414 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.105 3.282 1.000 1.00 0.00 H new ATOM 136 N MET A 21 10.617 0.448 -0.083 1.00 0.00 N ATOM 137 CA MET A 21 9.540 -0.271 0.568 1.00 0.00 C ATOM 138 C MET A 21 9.114 0.466 1.829 1.00 0.00 C ATOM 139 O MET A 21 7.922 0.628 2.084 1.00 0.00 O ATOM 140 CB MET A 21 10.004 -1.686 0.900 1.00 0.00 C ATOM 141 CG MET A 21 9.707 -2.609 -0.279 1.00 0.00 C ATOM 142 SD MET A 21 11.059 -2.729 -1.476 1.00 0.00 S ATOM 143 CE MET A 21 10.485 -1.510 -2.684 1.00 0.00 C ATOM 0 H MET A 21 11.385 -0.143 -0.401 1.00 0.00 H new ATOM 0 HA MET A 21 8.681 -0.330 -0.101 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.072 -1.688 1.117 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.496 -2.046 1.795 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.481 -3.606 0.100 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.813 -2.253 -0.790 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.125 -2.023 -3.576 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.675 -0.922 -2.251 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.309 -0.849 -2.954 1.00 0.00 H new ATOM 153 N SER A 22 10.092 0.914 2.620 1.00 0.00 N ATOM 154 CA SER A 22 9.813 1.631 3.848 1.00 0.00 C ATOM 155 C SER A 22 9.060 2.916 3.535 1.00 0.00 C ATOM 156 O SER A 22 8.224 3.355 4.322 1.00 0.00 O ATOM 157 CB SER A 22 11.124 1.934 4.568 1.00 0.00 C ATOM 158 OG SER A 22 10.877 2.810 5.644 1.00 0.00 O ATOM 0 H SER A 22 11.085 0.788 2.423 1.00 0.00 H new ATOM 0 HA SER A 22 9.190 1.018 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.573 1.010 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.836 2.383 3.876 1.00 0.00 H new ATOM 0 HG SER A 22 11.718 3.004 6.108 1.00 0.00 H new ATOM 164 N ALA A 23 9.358 3.519 2.382 1.00 0.00 N ATOM 165 CA ALA A 23 8.709 4.748 1.972 1.00 0.00 C ATOM 166 C ALA A 23 7.270 4.461 1.567 1.00 0.00 C ATOM 167 O ALA A 23 6.388 5.291 1.776 1.00 0.00 O ATOM 168 CB ALA A 23 9.484 5.369 0.813 1.00 0.00 C ATOM 0 H ALA A 23 10.049 3.167 1.719 1.00 0.00 H new ATOM 0 HA ALA A 23 8.697 5.453 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.997 6.294 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.504 5.585 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.506 4.672 -0.025 1.00 0.00 H new ATOM 174 N ILE A 24 7.036 3.283 0.984 1.00 0.00 N ATOM 175 CA ILE A 24 5.709 2.892 0.554 1.00 0.00 C ATOM 176 C ILE A 24 4.815 2.682 1.768 1.00 0.00 C ATOM 177 O ILE A 24 3.784 3.338 1.902 1.00 0.00 O ATOM 178 CB ILE A 24 5.800 1.616 -0.278 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.456 1.929 -1.620 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.398 1.061 -0.514 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.745 3.112 -2.270 1.00 0.00 C ATOM 0 H ILE A 24 7.758 2.586 0.802 1.00 0.00 H new ATOM 0 HA ILE A 24 5.274 3.680 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 24 6.398 0.877 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.511 2.160 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.407 1.058 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.463 0.150 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.929 0.837 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.799 1.800 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.213 3.336 -3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.695 2.864 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.818 3.983 -1.618 1.00 0.00 H new ATOM 193 N VAL A 25 5.212 1.765 2.653 1.00 0.00 N ATOM 194 CA VAL A 25 4.447 1.474 3.849 1.00 0.00 C ATOM 195 C VAL A 25 4.222 2.755 4.640 1.00 0.00 C ATOM 196 O VAL A 25 3.149 2.958 5.203 1.00 0.00 O ATOM 197 CB VAL A 25 5.193 0.442 4.690 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.257 -0.114 5.760 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.672 -0.695 3.793 1.00 0.00 C ATOM 0 H VAL A 25 6.064 1.213 2.555 1.00 0.00 H new ATOM 0 HA VAL A 25 3.475 1.064 3.574 1.00 0.00 H new ATOM 0 HB VAL A 25 6.052 0.914 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.789 -0.851 6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.914 0.698 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.398 -0.586 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.205 -1.432 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.814 -1.168 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.340 -0.298 3.028 1.00 0.00 H new ATOM 209 N ARG A 26 5.238 3.619 4.681 1.00 0.00 N ATOM 210 CA ARG A 26 5.147 4.873 5.402 1.00 0.00 C ATOM 211 C ARG A 26 3.986 5.695 4.861 1.00 0.00 C ATOM 212 O ARG A 26 3.129 6.138 5.623 1.00 0.00 O ATOM 213 CB ARG A 26 6.461 5.636 5.262 1.00 0.00 C ATOM 214 CG ARG A 26 7.310 5.420 6.511 1.00 0.00 C ATOM 215 CD ARG A 26 8.730 5.916 6.254 1.00 0.00 C ATOM 216 NE ARG A 26 9.105 6.957 7.211 1.00 0.00 N ATOM 217 CZ ARG A 26 10.240 7.663 7.109 1.00 0.00 C ATOM 218 NH1 ARG A 26 11.086 7.428 6.098 1.00 0.00 N ATOM 219 NH2 ARG A 26 10.528 8.603 8.019 1.00 0.00 N ATOM 0 H ARG A 26 6.134 3.465 4.218 1.00 0.00 H new ATOM 0 HA ARG A 26 4.967 4.677 6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.000 5.294 4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.264 6.699 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.875 5.953 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.325 4.363 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.428 5.082 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.804 6.307 5.239 1.00 0.00 H new ATOM 0 HE ARG A 26 8.476 7.154 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.867 6.712 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.950 7.965 6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.884 8.781 8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.392 9.140 7.942 1.00 0.00 H new ATOM 233 N VAL A 27 3.960 5.899 3.542 1.00 0.00 N ATOM 234 CA VAL A 27 2.907 6.665 2.907 1.00 0.00 C ATOM 235 C VAL A 27 1.550 6.100 3.302 1.00 0.00 C ATOM 236 O VAL A 27 0.711 6.817 3.843 1.00 0.00 O ATOM 237 CB VAL A 27 3.091 6.623 1.393 1.00 0.00 C ATOM 238 CG1 VAL A 27 2.066 7.539 0.730 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.498 7.094 1.038 1.00 0.00 C ATOM 0 H VAL A 27 4.664 5.539 2.898 1.00 0.00 H new ATOM 0 HA VAL A 27 2.956 7.703 3.237 1.00 0.00 H new ATOM 0 HB VAL A 27 2.949 5.602 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.197 7.509 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.060 7.203 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.207 8.560 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.630 7.064 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.640 8.115 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.231 6.440 1.511 1.00 0.00 H new ATOM 249 N MET A 28 1.335 4.811 3.030 1.00 0.00 N ATOM 250 CA MET A 28 0.082 4.161 3.358 1.00 0.00 C ATOM 251 C MET A 28 -0.252 4.389 4.825 1.00 0.00 C ATOM 252 O MET A 28 -1.422 4.464 5.194 1.00 0.00 O ATOM 253 CB MET A 28 0.189 2.669 3.054 1.00 0.00 C ATOM 254 CG MET A 28 0.621 2.475 1.603 1.00 0.00 C ATOM 255 SD MET A 28 1.790 1.116 1.360 1.00 0.00 S ATOM 256 CE MET A 28 0.886 -0.200 2.212 1.00 0.00 C ATOM 0 H MET A 28 2.020 4.202 2.582 1.00 0.00 H new ATOM 0 HA MET A 28 -0.720 4.586 2.754 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.910 2.201 3.725 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.771 2.182 3.227 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.263 2.294 0.992 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.073 3.399 1.243 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.335 -1.164 1.973 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.932 -0.035 3.288 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.155 -0.195 1.889 1.00 0.00 H new ATOM 266 N GLN A 29 0.782 4.498 5.663 1.00 0.00 N ATOM 267 CA GLN A 29 0.593 4.716 7.083 1.00 0.00 C ATOM 268 C GLN A 29 0.042 6.114 7.323 1.00 0.00 C ATOM 269 O GLN A 29 -0.892 6.290 8.104 1.00 0.00 O ATOM 270 CB GLN A 29 1.925 4.529 7.806 1.00 0.00 C ATOM 271 CG GLN A 29 2.006 3.111 8.365 1.00 0.00 C ATOM 272 CD GLN A 29 3.393 2.827 8.923 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.975 1.782 8.640 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.922 3.760 9.717 1.00 0.00 N ATOM 0 H GLN A 29 1.758 4.437 5.373 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.124 3.993 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.752 4.708 7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.018 5.255 8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.260 2.982 9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.771 2.392 7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.399 4.611 9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.849 3.622 10.119 1.00 0.00 H new ATOM 283 N LEU A 30 0.621 7.110 6.649 1.00 0.00 N ATOM 284 CA LEU A 30 0.186 8.485 6.791 1.00 0.00 C ATOM 285 C LEU A 30 -1.333 8.540 6.872 1.00 0.00 C ATOM 286 O LEU A 30 -2.022 7.839 6.135 1.00 0.00 O ATOM 287 CB LEU A 30 0.694 9.304 5.608 1.00 0.00 C ATOM 288 CG LEU A 30 2.218 9.363 5.648 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.752 9.685 4.255 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.659 10.448 6.626 1.00 0.00 C ATOM 0 H LEU A 30 1.396 6.980 5.998 1.00 0.00 H new ATOM 0 HA LEU A 30 0.595 8.906 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.361 8.856 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.279 10.311 5.644 1.00 0.00 H new ATOM 0 HG LEU A 30 2.611 8.400 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.841 9.727 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.437 8.910 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.360 10.648 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.748 10.491 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.267 11.412 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.278 10.218 7.621 1.00 0.00 H new ATOM 302 N PRO A 31 -1.854 9.378 7.772 1.00 0.00 N ATOM 303 CA PRO A 31 -3.273 9.564 7.987 1.00 0.00 C ATOM 304 C PRO A 31 -3.871 10.334 6.819 1.00 0.00 C ATOM 305 O PRO A 31 -5.075 10.574 6.782 1.00 0.00 O ATOM 306 CB PRO A 31 -3.370 10.369 9.281 1.00 0.00 C ATOM 307 CG PRO A 31 -2.080 11.188 9.268 1.00 0.00 C ATOM 308 CD PRO A 31 -1.074 10.217 8.654 1.00 0.00 C ATOM 0 HA PRO A 31 -3.818 8.623 8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.254 11.007 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.430 9.722 10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.182 12.096 8.673 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.785 11.496 10.271 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.296 10.749 8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.576 9.626 9.423 1.00 0.00 H new ATOM 316 N ASP A 32 -3.024 10.724 5.863 1.00 0.00 N ATOM 317 CA ASP A 32 -3.471 11.467 4.702 1.00 0.00 C ATOM 318 C ASP A 32 -2.903 10.837 3.438 1.00 0.00 C ATOM 319 O ASP A 32 -2.499 11.545 2.518 1.00 0.00 O ATOM 320 CB ASP A 32 -3.028 12.922 4.828 1.00 0.00 C ATOM 321 CG ASP A 32 -3.877 13.661 5.853 1.00 0.00 C ATOM 322 OD1 ASP A 32 -3.867 13.221 7.022 1.00 0.00 O ATOM 323 OD2 ASP A 32 -4.520 14.654 5.447 1.00 0.00 O ATOM 0 H ASP A 32 -2.022 10.532 5.879 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.559 11.437 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.979 12.963 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.108 13.416 3.860 1.00 0.00 H new ATOM 329 N SER A 33 -2.873 9.503 3.395 1.00 0.00 N ATOM 330 CA SER A 33 -2.357 8.789 2.245 1.00 0.00 C ATOM 331 C SER A 33 -3.509 8.314 1.371 1.00 0.00 C ATOM 332 O SER A 33 -3.588 8.669 0.197 1.00 0.00 O ATOM 333 CB SER A 33 -1.514 7.608 2.718 1.00 0.00 C ATOM 334 OG SER A 33 -2.156 6.402 2.367 1.00 0.00 O ATOM 0 H SER A 33 -3.203 8.902 4.150 1.00 0.00 H new ATOM 0 HA SER A 33 -1.729 9.453 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.523 7.650 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.374 7.657 3.798 1.00 0.00 H new ATOM 0 HG SER A 33 -2.005 6.215 1.417 1.00 0.00 H new ATOM 340 N GLY A 34 -4.405 7.509 1.946 1.00 0.00 N ATOM 341 CA GLY A 34 -5.545 6.994 1.215 1.00 0.00 C ATOM 342 C GLY A 34 -5.917 5.608 1.725 1.00 0.00 C ATOM 343 O GLY A 34 -7.055 5.171 1.568 1.00 0.00 O ATOM 0 H GLY A 34 -4.355 7.204 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.393 7.670 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.313 6.947 0.151 1.00 0.00 H new ATOM 347 N LEU A 35 -4.952 4.918 2.337 1.00 0.00 N ATOM 348 CA LEU A 35 -5.181 3.588 2.866 1.00 0.00 C ATOM 349 C LEU A 35 -5.409 3.662 4.369 1.00 0.00 C ATOM 350 O LEU A 35 -6.352 3.068 4.886 1.00 0.00 O ATOM 351 CB LEU A 35 -3.982 2.700 2.544 1.00 0.00 C ATOM 352 CG LEU A 35 -4.144 1.354 3.243 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.583 0.869 3.087 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.194 0.337 2.617 1.00 0.00 C ATOM 0 H LEU A 35 -4.004 5.267 2.475 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.070 3.157 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.902 2.555 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.061 3.183 2.870 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.911 1.465 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.699 -0.093 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.262 1.595 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.817 0.759 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.310 -0.625 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.426 0.226 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.166 0.682 2.729 1.00 0.00 H new ATOM 366 N GLU A 36 -4.541 4.394 5.071 1.00 0.00 N ATOM 367 CA GLU A 36 -4.655 4.541 6.508 1.00 0.00 C ATOM 368 C GLU A 36 -4.596 3.174 7.176 1.00 0.00 C ATOM 369 O GLU A 36 -5.460 2.331 6.947 1.00 0.00 O ATOM 370 CB GLU A 36 -5.964 5.251 6.843 1.00 0.00 C ATOM 371 CG GLU A 36 -5.665 6.529 7.620 1.00 0.00 C ATOM 372 CD GLU A 36 -6.142 7.755 6.855 1.00 0.00 C ATOM 373 OE1 GLU A 36 -7.026 8.454 7.396 1.00 0.00 O ATOM 374 OE2 GLU A 36 -5.615 7.970 5.742 1.00 0.00 O ATOM 0 H GLU A 36 -3.752 4.892 4.658 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.825 5.140 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.506 5.488 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.605 4.596 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.154 6.490 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.593 6.605 7.804 1.00 0.00 H new ATOM 382 N ILE A 37 -3.573 2.958 8.006 1.00 0.00 N ATOM 383 CA ILE A 37 -3.405 1.700 8.705 1.00 0.00 C ATOM 384 C ILE A 37 -3.627 1.907 10.197 1.00 0.00 C ATOM 385 O ILE A 37 -2.759 2.436 10.888 1.00 0.00 O ATOM 386 CB ILE A 37 -2.007 1.151 8.436 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.613 1.448 6.992 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.000 -0.357 8.665 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.418 0.556 6.051 1.00 0.00 C ATOM 0 H ILE A 37 -2.849 3.648 8.205 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.138 0.978 8.345 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.295 1.624 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.797 2.497 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.546 1.274 6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.001 -0.750 8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.281 -0.570 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.712 -0.831 7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.137 0.768 5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.211 -0.490 6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.482 0.752 6.185 1.00 0.00 H new ATOM 401 N ARG A 38 -4.793 1.487 10.693 1.00 0.00 N ATOM 402 CA ARG A 38 -5.122 1.628 12.097 1.00 0.00 C ATOM 403 C ARG A 38 -6.563 1.199 12.335 1.00 0.00 C ATOM 404 O ARG A 38 -6.887 0.663 13.392 1.00 0.00 O ATOM 405 CB ARG A 38 -4.913 3.079 12.524 1.00 0.00 C ATOM 406 CG ARG A 38 -3.726 3.161 13.480 1.00 0.00 C ATOM 407 CD ARG A 38 -2.808 4.303 13.052 1.00 0.00 C ATOM 408 NE ARG A 38 -2.077 4.846 14.198 1.00 0.00 N ATOM 409 CZ ARG A 38 -0.999 4.247 14.722 1.00 0.00 C ATOM 410 NH1 ARG A 38 -0.547 3.101 14.194 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.373 4.793 15.773 1.00 0.00 N ATOM 0 H ARG A 38 -5.522 1.046 10.133 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.470 0.989 12.693 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.734 3.705 11.650 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.812 3.460 13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.076 3.324 14.499 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.178 2.219 13.478 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.102 3.945 12.302 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.397 5.092 12.585 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.402 5.718 14.616 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.024 2.685 13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.274 2.645 14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.717 5.665 16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.448 4.337 16.171 1.00 0.00 H new ATOM 425 N ASP A 39 -7.429 1.436 11.347 1.00 0.00 N ATOM 426 CA ASP A 39 -8.828 1.074 11.454 1.00 0.00 C ATOM 427 C ASP A 39 -9.368 0.696 10.082 1.00 0.00 C ATOM 428 O ASP A 39 -9.107 1.385 9.099 1.00 0.00 O ATOM 429 CB ASP A 39 -9.612 2.245 12.040 1.00 0.00 C ATOM 430 CG ASP A 39 -8.806 2.954 13.119 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.364 2.249 14.052 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.646 4.187 12.990 1.00 0.00 O ATOM 0 H ASP A 39 -7.176 1.879 10.464 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.936 0.214 12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.866 2.950 11.248 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.551 1.885 12.460 1.00 0.00 H new ATOM 438 N ARG A 40 -10.123 -0.403 10.019 1.00 0.00 N ATOM 439 CA ARG A 40 -10.694 -0.868 8.770 1.00 0.00 C ATOM 440 C ARG A 40 -11.864 -1.799 9.053 1.00 0.00 C ATOM 441 O ARG A 40 -12.201 -2.042 10.210 1.00 0.00 O ATOM 442 CB ARG A 40 -9.620 -1.582 7.956 1.00 0.00 C ATOM 443 CG ARG A 40 -8.851 -0.562 7.122 1.00 0.00 C ATOM 444 CD ARG A 40 -8.847 -0.998 5.659 1.00 0.00 C ATOM 445 NE ARG A 40 -9.325 0.076 4.789 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.619 0.244 4.487 1.00 0.00 C ATOM 447 NH1 ARG A 40 -11.538 -0.591 4.990 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.995 1.248 3.683 1.00 0.00 N ATOM 0 H ARG A 40 -10.349 -0.984 10.826 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.062 -0.018 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.938 -2.113 8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.077 -2.328 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.310 0.422 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.828 -0.474 7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.838 -1.287 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.479 -1.878 5.537 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.644 0.725 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.252 -1.355 5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.523 -0.463 4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.296 1.885 3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.981 1.376 3.453 1.00 0.00 H new ATOM 462 N MET A 41 -12.484 -2.322 7.993 1.00 0.00 N ATOM 463 CA MET A 41 -13.612 -3.221 8.135 1.00 0.00 C ATOM 464 C MET A 41 -13.343 -4.514 7.379 1.00 0.00 C ATOM 465 O MET A 41 -12.696 -4.502 6.334 1.00 0.00 O ATOM 466 CB MET A 41 -14.873 -2.540 7.610 1.00 0.00 C ATOM 467 CG MET A 41 -15.212 -1.344 8.494 1.00 0.00 C ATOM 468 SD MET A 41 -16.986 -1.012 8.633 1.00 0.00 S ATOM 469 CE MET A 41 -17.483 -2.483 9.564 1.00 0.00 C ATOM 0 H MET A 41 -12.216 -2.132 7.027 1.00 0.00 H new ATOM 0 HA MET A 41 -13.756 -3.464 9.188 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.721 -2.214 6.581 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.703 -3.246 7.601 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.805 -1.515 9.491 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.717 -0.458 8.095 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.323 -2.236 10.213 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.780 -3.270 8.870 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.646 -2.830 10.170 1.00 0.00 H new ATOM 479 N TRP A 42 -13.841 -5.633 7.910 1.00 0.00 N ATOM 480 CA TRP A 42 -13.652 -6.924 7.280 1.00 0.00 C ATOM 481 C TRP A 42 -14.611 -7.940 7.883 1.00 0.00 C ATOM 482 O TRP A 42 -14.834 -7.947 9.092 1.00 0.00 O ATOM 483 CB TRP A 42 -12.205 -7.371 7.464 1.00 0.00 C ATOM 484 CG TRP A 42 -11.874 -8.697 6.858 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.329 -9.742 7.517 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.054 -9.145 5.480 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.160 -10.799 6.648 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.592 -10.485 5.376 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.560 -8.557 4.307 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.629 -11.202 4.176 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.602 -9.268 3.099 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.139 -10.587 3.030 1.00 0.00 C ATOM 0 H TRP A 42 -14.378 -5.662 8.777 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.862 -6.846 6.213 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.549 -6.616 7.031 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.985 -7.410 8.531 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.066 -9.749 8.564 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.765 -11.701 6.913 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.923 -7.540 4.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.268 -12.219 4.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.996 -8.793 2.213 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.176 -11.127 2.095 1.00 0.00 H new ATOM 503 N LEU A 43 -15.180 -8.802 7.036 1.00 0.00 N ATOM 504 CA LEU A 43 -16.110 -9.817 7.487 1.00 0.00 C ATOM 505 C LEU A 43 -17.398 -9.161 7.967 1.00 0.00 C ATOM 506 O LEU A 43 -18.249 -9.821 8.560 1.00 0.00 O ATOM 507 CB LEU A 43 -15.469 -10.632 8.607 1.00 0.00 C ATOM 508 CG LEU A 43 -14.837 -11.891 8.021 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.316 -11.771 8.079 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.282 -13.107 8.827 1.00 0.00 C ATOM 0 H LEU A 43 -15.006 -8.809 6.031 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.352 -10.486 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.713 -10.036 9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.219 -10.901 9.351 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.153 -12.007 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.864 -12.670 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.997 -10.903 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.999 -11.654 9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.830 -14.006 8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.966 -12.992 9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.368 -13.193 8.786 1.00 0.00 H new ATOM 522 N LYS A 44 -17.538 -7.859 7.709 1.00 0.00 N ATOM 523 CA LYS A 44 -18.719 -7.124 8.115 1.00 0.00 C ATOM 524 C LYS A 44 -18.541 -6.599 9.533 1.00 0.00 C ATOM 525 O LYS A 44 -19.506 -6.184 10.170 1.00 0.00 O ATOM 526 CB LYS A 44 -19.940 -8.035 8.026 1.00 0.00 C ATOM 527 CG LYS A 44 -20.270 -8.581 9.413 1.00 0.00 C ATOM 528 CD LYS A 44 -21.365 -7.729 10.048 1.00 0.00 C ATOM 529 CE LYS A 44 -21.042 -7.501 11.522 1.00 0.00 C ATOM 530 NZ LYS A 44 -21.606 -6.227 11.995 1.00 0.00 N ATOM 0 H LYS A 44 -16.841 -7.298 7.219 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.867 -6.273 7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.791 -7.482 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.744 -8.857 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.598 -9.618 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.379 -8.573 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.443 -6.773 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.330 -8.225 9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.441 -8.323 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.961 -7.500 11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.476 -6.151 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.120 -5.437 11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.621 -6.192 11.771 1.00 0.00 H new ATOM 544 N ILE A 45 -17.300 -6.620 10.026 1.00 0.00 N ATOM 545 CA ILE A 45 -16.999 -6.146 11.362 1.00 0.00 C ATOM 546 C ILE A 45 -16.014 -4.988 11.288 1.00 0.00 C ATOM 547 O ILE A 45 -15.598 -4.593 10.201 1.00 0.00 O ATOM 548 CB ILE A 45 -16.425 -7.293 12.190 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.032 -8.612 11.722 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.760 -7.074 13.663 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.373 -9.769 12.468 1.00 0.00 C ATOM 0 H ILE A 45 -16.490 -6.964 9.510 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.911 -5.791 11.841 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.343 -7.326 12.064 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.107 -8.614 11.903 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.889 -8.729 10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.351 -7.893 14.255 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.327 -6.132 13.998 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.842 -7.041 13.789 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.807 -10.711 12.134 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.302 -9.770 12.265 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.539 -9.653 13.539 1.00 0.00 H new ATOM 563 N THR A 46 -15.640 -4.443 12.448 1.00 0.00 N ATOM 564 CA THR A 46 -14.707 -3.336 12.503 1.00 0.00 C ATOM 565 C THR A 46 -13.487 -3.726 13.325 1.00 0.00 C ATOM 566 O THR A 46 -13.615 -4.365 14.368 1.00 0.00 O ATOM 567 CB THR A 46 -15.399 -2.118 13.109 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.335 -1.604 12.188 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.359 -1.048 13.429 1.00 0.00 C ATOM 0 H THR A 46 -15.975 -4.757 13.359 1.00 0.00 H new ATOM 0 HA THR A 46 -14.375 -3.087 11.495 1.00 0.00 H new ATOM 0 HB THR A 46 -15.913 -2.410 14.025 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.781 -0.823 12.577 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.853 -0.178 13.862 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.635 -1.445 14.140 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.845 -0.755 12.514 1.00 0.00 H new ATOM 577 N ILE A 47 -12.300 -3.339 12.853 1.00 0.00 N ATOM 578 CA ILE A 47 -11.063 -3.647 13.543 1.00 0.00 C ATOM 579 C ILE A 47 -10.253 -2.373 13.740 1.00 0.00 C ATOM 580 O ILE A 47 -10.384 -1.427 12.966 1.00 0.00 O ATOM 581 CB ILE A 47 -10.272 -4.673 12.737 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.147 -5.894 12.469 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.036 -5.096 13.525 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.751 -5.791 11.072 1.00 0.00 C ATOM 0 H ILE A 47 -12.178 -2.809 11.990 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.284 -4.069 14.523 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.965 -4.231 11.789 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.554 -6.805 12.554 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.939 -5.958 13.215 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.471 -5.829 12.949 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.410 -4.224 13.716 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.343 -5.538 14.473 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.376 -6.663 10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.358 -4.888 11.004 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.952 -5.748 10.332 1.00 0.00 H new ATOM 596 N ALA A 48 -9.413 -2.351 14.778 1.00 0.00 N ATOM 597 CA ALA A 48 -8.589 -1.196 15.070 1.00 0.00 C ATOM 598 C ALA A 48 -7.167 -1.442 14.586 1.00 0.00 C ATOM 599 O ALA A 48 -6.210 -1.211 15.323 1.00 0.00 O ATOM 600 CB ALA A 48 -8.610 -0.923 16.571 1.00 0.00 C ATOM 0 H ALA A 48 -9.292 -3.128 15.427 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.983 -0.323 14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.990 -0.054 16.791 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.634 -0.729 16.891 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.221 -1.791 17.104 1.00 0.00 H new ATOM 606 N ASN A 49 -7.029 -1.912 13.344 1.00 0.00 N ATOM 607 CA ASN A 49 -5.727 -2.185 12.772 1.00 0.00 C ATOM 608 C ASN A 49 -5.841 -3.280 11.721 1.00 0.00 C ATOM 609 O ASN A 49 -5.718 -4.462 12.035 1.00 0.00 O ATOM 610 CB ASN A 49 -4.763 -2.599 13.880 1.00 0.00 C ATOM 611 CG ASN A 49 -5.452 -3.508 14.888 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.414 -4.195 14.551 1.00 0.00 O ATOM 613 ND2 ASN A 49 -4.955 -3.514 16.127 1.00 0.00 N ATOM 0 H ASN A 49 -7.812 -2.109 12.720 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.343 -1.286 12.289 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.905 -3.113 13.447 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.381 -1.712 14.386 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.376 -4.107 16.842 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.154 -2.926 16.358 1.00 0.00 H new ATOM 620 N ALA A 50 -6.077 -2.883 10.468 1.00 0.00 N ATOM 621 CA ALA A 50 -6.207 -3.829 9.378 1.00 0.00 C ATOM 622 C ALA A 50 -5.855 -3.151 8.062 1.00 0.00 C ATOM 623 O ALA A 50 -5.939 -1.930 7.949 1.00 0.00 O ATOM 624 CB ALA A 50 -7.634 -4.370 9.343 1.00 0.00 C ATOM 0 H ALA A 50 -6.181 -1.907 10.191 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.520 -4.662 9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.733 -5.082 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.857 -4.869 10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.332 -3.546 9.194 1.00 0.00 H new ATOM 630 N VAL A 51 -5.458 -3.946 7.066 1.00 0.00 N ATOM 631 CA VAL A 51 -5.095 -3.421 5.765 1.00 0.00 C ATOM 632 C VAL A 51 -4.549 -4.541 4.892 1.00 0.00 C ATOM 633 O VAL A 51 -5.026 -4.752 3.779 1.00 0.00 O ATOM 634 CB VAL A 51 -4.059 -2.314 5.936 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.758 -0.957 5.934 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.324 -2.505 7.260 1.00 0.00 C ATOM 0 H VAL A 51 -5.382 -4.960 7.145 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.976 -3.004 5.277 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.344 -2.356 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.018 -0.166 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.283 -0.820 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.473 -0.915 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.584 -1.714 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.039 -2.464 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.824 -3.474 7.262 1.00 0.00 H new ATOM 646 N ILE A 52 -3.545 -5.260 5.399 1.00 0.00 N ATOM 647 CA ILE A 52 -2.939 -6.355 4.667 1.00 0.00 C ATOM 648 C ILE A 52 -2.489 -5.871 3.296 1.00 0.00 C ATOM 649 O ILE A 52 -2.790 -4.745 2.904 1.00 0.00 O ATOM 650 CB ILE A 52 -3.945 -7.496 4.536 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.216 -8.832 4.649 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.639 -7.408 3.180 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.208 -9.919 5.054 1.00 0.00 C ATOM 0 H ILE A 52 -3.138 -5.096 6.320 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.065 -6.720 5.206 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.688 -7.419 5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.750 -9.086 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.416 -8.761 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.357 -8.222 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.159 -6.454 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.897 -7.485 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.688 -10.874 5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.653 -9.665 6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.992 -9.995 4.300 1.00 0.00 H new ATOM 665 N GLY A 53 -1.767 -6.723 2.566 1.00 0.00 N ATOM 666 CA GLY A 53 -1.283 -6.373 1.245 1.00 0.00 C ATOM 667 C GLY A 53 -2.447 -5.999 0.339 1.00 0.00 C ATOM 668 O GLY A 53 -2.301 -5.164 -0.551 1.00 0.00 O ATOM 0 H GLY A 53 -1.508 -7.660 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.585 -5.539 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.735 -7.212 0.817 1.00 0.00 H new ATOM 672 N ALA A 54 -3.606 -6.621 0.567 1.00 0.00 N ATOM 673 CA ALA A 54 -4.787 -6.353 -0.229 1.00 0.00 C ATOM 674 C ALA A 54 -5.006 -4.850 -0.336 1.00 0.00 C ATOM 675 O ALA A 54 -5.030 -4.302 -1.436 1.00 0.00 O ATOM 676 CB ALA A 54 -5.995 -7.031 0.411 1.00 0.00 C ATOM 0 H ALA A 54 -3.743 -7.315 1.302 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.652 -6.753 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.884 -6.830 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.825 -8.107 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.140 -6.641 1.419 1.00 0.00 H new ATOM 682 N ASP A 55 -5.165 -4.185 0.810 1.00 0.00 N ATOM 683 CA ASP A 55 -5.382 -2.752 0.838 1.00 0.00 C ATOM 684 C ASP A 55 -4.116 -2.031 0.396 1.00 0.00 C ATOM 685 O ASP A 55 -4.174 -1.121 -0.428 1.00 0.00 O ATOM 686 CB ASP A 55 -5.782 -2.327 2.248 1.00 0.00 C ATOM 687 CG ASP A 55 -6.876 -1.270 2.207 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.592 -1.154 3.225 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.976 -0.597 1.158 1.00 0.00 O ATOM 0 H ASP A 55 -5.146 -4.625 1.730 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.186 -2.488 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.130 -3.195 2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.912 -1.935 2.775 1.00 0.00 H new ATOM 695 N VAL A 56 -2.971 -2.441 0.946 1.00 0.00 N ATOM 696 CA VAL A 56 -1.700 -1.833 0.607 1.00 0.00 C ATOM 697 C VAL A 56 -1.557 -1.748 -0.906 1.00 0.00 C ATOM 698 O VAL A 56 -0.885 -0.856 -1.419 1.00 0.00 O ATOM 699 CB VAL A 56 -0.566 -2.657 1.212 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.762 -1.940 0.983 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.802 -2.824 2.710 1.00 0.00 C ATOM 0 H VAL A 56 -2.907 -3.195 1.630 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.655 -0.823 1.014 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.536 -3.638 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.572 -2.528 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.931 -1.820 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.733 -0.959 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.007 -3.412 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.832 -1.843 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.750 -3.336 2.874 1.00 0.00 H new ATOM 711 N VAL A 57 -2.194 -2.679 -1.620 1.00 0.00 N ATOM 712 CA VAL A 57 -2.136 -2.705 -3.068 1.00 0.00 C ATOM 713 C VAL A 57 -3.163 -1.739 -3.641 1.00 0.00 C ATOM 714 O VAL A 57 -2.801 -0.734 -4.249 1.00 0.00 O ATOM 715 CB VAL A 57 -2.394 -4.125 -3.562 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.456 -4.131 -5.086 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.264 -5.039 -3.095 1.00 0.00 C ATOM 0 H VAL A 57 -2.756 -3.424 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.146 -2.394 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.341 -4.483 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.640 -5.146 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.263 -3.479 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.509 -3.773 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.448 -6.054 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.316 -4.681 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.220 -5.036 -2.006 1.00 0.00 H new ATOM 727 N ASP A 58 -4.448 -2.046 -3.447 1.00 0.00 N ATOM 728 CA ASP A 58 -5.518 -1.206 -3.945 1.00 0.00 C ATOM 729 C ASP A 58 -5.149 0.259 -3.765 1.00 0.00 C ATOM 730 O ASP A 58 -5.566 1.107 -4.551 1.00 0.00 O ATOM 731 CB ASP A 58 -6.809 -1.534 -3.201 1.00 0.00 C ATOM 732 CG ASP A 58 -7.459 -2.790 -3.766 1.00 0.00 C ATOM 733 OD1 ASP A 58 -8.606 -2.668 -4.246 1.00 0.00 O ATOM 734 OD2 ASP A 58 -6.796 -3.848 -3.707 1.00 0.00 O ATOM 0 H ASP A 58 -4.764 -2.876 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.669 -1.394 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.597 -1.675 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.501 -0.695 -3.279 1.00 0.00 H new ATOM 740 N TRP A 59 -4.364 0.557 -2.727 1.00 0.00 N ATOM 741 CA TRP A 59 -3.946 1.918 -2.456 1.00 0.00 C ATOM 742 C TRP A 59 -2.772 2.287 -3.351 1.00 0.00 C ATOM 743 O TRP A 59 -2.851 3.242 -4.121 1.00 0.00 O ATOM 744 CB TRP A 59 -3.565 2.047 -0.984 1.00 0.00 C ATOM 745 CG TRP A 59 -3.226 3.434 -0.541 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.113 4.348 -0.089 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.922 4.090 -0.497 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.453 5.515 0.229 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.096 5.411 -0.004 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.610 3.703 -0.823 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.030 6.300 0.156 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.467 4.587 -0.665 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.262 5.883 -0.178 1.00 0.00 C ATOM 0 H TRP A 59 -4.009 -0.133 -2.065 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.767 2.603 -2.668 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.392 1.679 -0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.711 1.399 -0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.177 4.188 0.008 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.910 6.352 0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.429 2.708 -1.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.202 7.297 0.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.465 4.264 -0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.097 6.557 -0.061 1.00 0.00 H new ATOM 764 N LEU A 60 -1.679 1.527 -3.249 1.00 0.00 N ATOM 765 CA LEU A 60 -0.496 1.776 -4.048 1.00 0.00 C ATOM 766 C LEU A 60 -0.901 2.230 -5.443 1.00 0.00 C ATOM 767 O LEU A 60 -0.210 3.036 -6.062 1.00 0.00 O ATOM 768 CB LEU A 60 0.348 0.507 -4.116 1.00 0.00 C ATOM 769 CG LEU A 60 1.283 0.453 -2.911 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.843 -0.959 -2.764 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.432 1.437 -3.115 1.00 0.00 C ATOM 0 H LEU A 60 -1.597 0.732 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 60 0.097 2.567 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.297 -0.371 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.926 0.491 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 60 0.731 0.720 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.511 -0.998 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.023 -1.662 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.396 -1.227 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.100 1.399 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.984 1.170 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.033 2.446 -3.220 1.00 0.00 H new ATOM 783 N TYR A 61 -2.026 1.709 -5.939 1.00 0.00 N ATOM 784 CA TYR A 61 -2.514 2.062 -7.257 1.00 0.00 C ATOM 785 C TYR A 61 -3.362 3.323 -7.173 1.00 0.00 C ATOM 786 O TYR A 61 -3.080 4.309 -7.851 1.00 0.00 O ATOM 787 CB TYR A 61 -3.325 0.901 -7.825 1.00 0.00 C ATOM 788 CG TYR A 61 -4.047 1.240 -9.107 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.353 1.235 -10.323 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.410 1.561 -9.080 1.00 0.00 C ATOM 791 CE1 TYR A 61 -4.022 1.550 -11.512 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.078 1.876 -10.269 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.385 1.871 -11.485 1.00 0.00 C ATOM 794 OH TYR A 61 -6.037 2.178 -12.643 1.00 0.00 O ATOM 0 H TYR A 61 -2.611 1.040 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.672 2.259 -7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.659 0.057 -8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.054 0.579 -7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.302 0.988 -10.344 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.945 1.565 -8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.487 1.545 -12.450 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.129 2.123 -10.248 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.977 2.375 -12.447 1.00 0.00 H new ATOM 804 N THR A 62 -4.403 3.291 -6.338 1.00 0.00 N ATOM 805 CA THR A 62 -5.282 4.431 -6.173 1.00 0.00 C ATOM 806 C THR A 62 -4.475 5.651 -5.753 1.00 0.00 C ATOM 807 O THR A 62 -4.965 6.776 -5.819 1.00 0.00 O ATOM 808 CB THR A 62 -6.348 4.103 -5.132 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.477 4.922 -5.341 1.00 0.00 O ATOM 810 CG2 THR A 62 -5.789 4.355 -3.734 1.00 0.00 C ATOM 0 H THR A 62 -4.651 2.482 -5.768 1.00 0.00 H new ATOM 0 HA THR A 62 -5.773 4.655 -7.120 1.00 0.00 H new ATOM 0 HB THR A 62 -6.636 3.056 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.163 4.711 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.550 4.121 -2.990 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.916 3.722 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.501 5.402 -3.641 1.00 0.00 H new ATOM 818 N HIS A 63 -3.232 5.427 -5.318 1.00 0.00 N ATOM 819 CA HIS A 63 -2.369 6.508 -4.889 1.00 0.00 C ATOM 820 C HIS A 63 -1.377 6.851 -5.992 1.00 0.00 C ATOM 821 O HIS A 63 -1.445 7.929 -6.577 1.00 0.00 O ATOM 822 CB HIS A 63 -1.637 6.098 -3.614 1.00 0.00 C ATOM 823 CG HIS A 63 -1.633 7.183 -2.572 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.591 8.024 -2.288 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -2.675 7.509 -1.735 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -1.000 8.879 -1.260 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -2.263 8.529 -0.961 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.809 4.501 -5.257 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.969 7.394 -4.681 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.107 5.205 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.609 5.832 -3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.644 7.034 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.418 9.663 -0.799 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.833 8.977 -0.243 1.00 0.00 H new ATOM 835 N VAL A 64 -0.455 5.928 -6.274 1.00 0.00 N ATOM 836 CA VAL A 64 0.544 6.136 -7.303 1.00 0.00 C ATOM 837 C VAL A 64 0.397 5.075 -8.385 1.00 0.00 C ATOM 838 O VAL A 64 -0.484 4.222 -8.304 1.00 0.00 O ATOM 839 CB VAL A 64 1.936 6.082 -6.679 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.958 6.931 -5.411 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.280 4.637 -6.329 1.00 0.00 C ATOM 0 H VAL A 64 -0.387 5.029 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 64 0.403 7.116 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 64 2.668 6.469 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.952 6.893 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.711 7.963 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.227 6.544 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.274 4.597 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.548 4.250 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.264 4.030 -7.234 1.00 0.00 H new ATOM 851 N GLU A 65 1.263 5.130 -9.400 1.00 0.00 N ATOM 852 CA GLU A 65 1.223 4.173 -10.488 1.00 0.00 C ATOM 853 C GLU A 65 2.634 3.898 -10.989 1.00 0.00 C ATOM 854 O GLU A 65 3.583 4.557 -10.573 1.00 0.00 O ATOM 855 CB GLU A 65 0.346 4.720 -11.611 1.00 0.00 C ATOM 856 CG GLU A 65 0.905 6.057 -12.087 1.00 0.00 C ATOM 857 CD GLU A 65 0.763 6.199 -13.596 1.00 0.00 C ATOM 858 OE1 GLU A 65 0.879 5.157 -14.277 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.540 7.346 -14.040 1.00 0.00 O ATOM 0 H GLU A 65 1.999 5.832 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 65 0.797 3.234 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.313 4.012 -12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.678 4.846 -11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.380 6.873 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.956 6.137 -11.807 1.00 0.00 H new ATOM 867 N GLY A 66 2.769 2.921 -11.889 1.00 0.00 N ATOM 868 CA GLY A 66 4.062 2.568 -12.440 1.00 0.00 C ATOM 869 C GLY A 66 4.147 1.065 -12.666 1.00 0.00 C ATOM 870 O GLY A 66 5.024 0.591 -13.385 1.00 0.00 O ATOM 0 H GLY A 66 1.992 2.365 -12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.219 3.094 -13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.853 2.886 -11.761 1.00 0.00 H new ATOM 874 N PHE A 67 3.232 0.314 -12.047 1.00 0.00 N ATOM 875 CA PHE A 67 3.210 -1.128 -12.185 1.00 0.00 C ATOM 876 C PHE A 67 2.376 -1.519 -13.397 1.00 0.00 C ATOM 877 O PHE A 67 1.329 -0.926 -13.650 1.00 0.00 O ATOM 878 CB PHE A 67 2.640 -1.750 -10.913 1.00 0.00 C ATOM 879 CG PHE A 67 3.414 -1.391 -9.667 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.796 -1.608 -9.614 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.750 -0.837 -8.566 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.514 -1.273 -8.460 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.467 -0.502 -7.412 1.00 0.00 C ATOM 884 CZ PHE A 67 4.849 -0.719 -7.359 1.00 0.00 C ATOM 0 H PHE A 67 2.499 0.691 -11.446 1.00 0.00 H new ATOM 0 HA PHE A 67 4.224 -1.499 -12.333 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.605 -1.429 -10.793 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.627 -2.834 -11.023 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.308 -2.034 -10.464 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.684 -0.668 -8.607 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.580 -1.442 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.954 -0.076 -6.562 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.403 -0.459 -6.469 1.00 0.00 H new ATOM 894 N LYS A 68 2.842 -2.520 -14.147 1.00 0.00 N ATOM 895 CA LYS A 68 2.138 -2.982 -15.326 1.00 0.00 C ATOM 896 C LYS A 68 0.643 -3.044 -15.046 1.00 0.00 C ATOM 897 O LYS A 68 -0.141 -2.348 -15.688 1.00 0.00 O ATOM 898 CB LYS A 68 2.669 -4.355 -15.730 1.00 0.00 C ATOM 899 CG LYS A 68 3.886 -4.183 -16.633 1.00 0.00 C ATOM 900 CD LYS A 68 5.150 -4.554 -15.862 1.00 0.00 C ATOM 901 CE LYS A 68 6.360 -4.444 -16.785 1.00 0.00 C ATOM 902 NZ LYS A 68 7.321 -3.453 -16.279 1.00 0.00 N ATOM 0 H LYS A 68 3.708 -3.022 -13.951 1.00 0.00 H new ATOM 0 HA LYS A 68 2.304 -2.286 -16.148 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.939 -4.928 -14.843 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.894 -4.918 -16.250 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.788 -4.814 -17.517 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.950 -3.152 -16.982 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.273 -3.893 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.067 -5.569 -15.473 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.846 -5.416 -16.871 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.034 -4.161 -17.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.135 -3.397 -16.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.861 -2.522 -16.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.648 -3.738 -15.334 1.00 0.00 H new ATOM 916 N GLU A 69 0.249 -3.880 -14.082 1.00 0.00 N ATOM 917 CA GLU A 69 -1.148 -4.025 -13.724 1.00 0.00 C ATOM 918 C GLU A 69 -1.267 -4.646 -12.339 1.00 0.00 C ATOM 919 O GLU A 69 -0.270 -4.800 -11.637 1.00 0.00 O ATOM 920 CB GLU A 69 -1.852 -4.888 -14.766 1.00 0.00 C ATOM 921 CG GLU A 69 -3.282 -4.391 -14.957 1.00 0.00 C ATOM 922 CD GLU A 69 -4.286 -5.487 -14.630 1.00 0.00 C ATOM 923 OE1 GLU A 69 -4.750 -5.504 -13.469 1.00 0.00 O ATOM 924 OE2 GLU A 69 -4.572 -6.287 -15.547 1.00 0.00 O ATOM 0 H GLU A 69 0.886 -4.464 -13.540 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.624 -3.045 -13.701 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.312 -4.847 -15.712 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.858 -5.930 -14.447 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.459 -3.527 -14.317 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.422 -4.059 -15.986 1.00 0.00 H new ATOM 932 N ARG A 70 -2.492 -5.004 -11.948 1.00 0.00 N ATOM 933 CA ARG A 70 -2.737 -5.605 -10.653 1.00 0.00 C ATOM 934 C ARG A 70 -1.613 -6.574 -10.314 1.00 0.00 C ATOM 935 O ARG A 70 -1.296 -6.775 -9.144 1.00 0.00 O ATOM 936 CB ARG A 70 -4.083 -6.324 -10.672 1.00 0.00 C ATOM 937 CG ARG A 70 -4.580 -6.511 -9.242 1.00 0.00 C ATOM 938 CD ARG A 70 -4.989 -7.966 -9.031 1.00 0.00 C ATOM 939 NE ARG A 70 -6.374 -8.061 -8.570 1.00 0.00 N ATOM 940 CZ ARG A 70 -6.967 -9.229 -8.290 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.287 -10.376 -8.426 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.240 -9.252 -7.872 1.00 0.00 N ATOM 0 H ARG A 70 -3.328 -4.884 -12.520 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.766 -4.829 -9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.807 -5.747 -11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.983 -7.292 -11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.797 -6.236 -8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.428 -5.853 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.874 -8.518 -9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.327 -8.431 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.911 -7.201 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.318 -10.360 -8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.739 -11.265 -8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.758 -8.380 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.691 -10.142 -7.659 1.00 0.00 H new ATOM 956 N ARG A 71 -1.011 -7.175 -11.343 1.00 0.00 N ATOM 957 CA ARG A 71 0.072 -8.119 -11.150 1.00 0.00 C ATOM 958 C ARG A 71 1.262 -7.416 -10.512 1.00 0.00 C ATOM 959 O ARG A 71 1.489 -7.542 -9.311 1.00 0.00 O ATOM 960 CB ARG A 71 0.461 -8.727 -12.494 1.00 0.00 C ATOM 961 CG ARG A 71 0.287 -10.242 -12.437 1.00 0.00 C ATOM 962 CD ARG A 71 -1.182 -10.594 -12.657 1.00 0.00 C ATOM 963 NE ARG A 71 -1.359 -11.358 -13.893 1.00 0.00 N ATOM 964 CZ ARG A 71 -2.549 -11.824 -14.293 1.00 0.00 C ATOM 965 NH1 ARG A 71 -3.642 -11.596 -13.552 1.00 0.00 N ATOM 966 NH2 ARG A 71 -2.647 -12.519 -15.435 1.00 0.00 N ATOM 0 H ARG A 71 -1.263 -7.018 -12.319 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.252 -8.919 -10.484 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.159 -8.309 -13.287 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.495 -8.478 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.904 -10.719 -13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.622 -10.621 -11.472 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.551 -11.174 -11.811 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.776 -9.681 -12.701 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.541 -11.543 -14.474 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.568 -11.067 -12.683 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.548 -11.951 -13.857 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.815 -12.693 -15.999 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.553 -12.874 -15.740 1.00 0.00 H new ATOM 980 N GLU A 72 2.022 -6.672 -11.320 1.00 0.00 N ATOM 981 CA GLU A 72 3.181 -5.955 -10.828 1.00 0.00 C ATOM 982 C GLU A 72 2.875 -5.345 -9.467 1.00 0.00 C ATOM 983 O GLU A 72 3.709 -5.385 -8.565 1.00 0.00 O ATOM 984 CB GLU A 72 3.569 -4.872 -11.830 1.00 0.00 C ATOM 985 CG GLU A 72 4.675 -5.396 -12.742 1.00 0.00 C ATOM 986 CD GLU A 72 6.045 -4.964 -12.239 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.119 -3.847 -11.683 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.992 -5.760 -12.419 1.00 0.00 O ATOM 0 H GLU A 72 1.848 -6.556 -12.318 1.00 0.00 H new ATOM 0 HA GLU A 72 4.017 -6.645 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.701 -4.582 -12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.909 -3.980 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.627 -6.484 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.522 -5.025 -13.756 1.00 0.00 H new ATOM 996 N ALA A 73 1.674 -4.780 -9.321 1.00 0.00 N ATOM 997 CA ALA A 73 1.265 -4.166 -8.074 1.00 0.00 C ATOM 998 C ALA A 73 1.427 -5.159 -6.932 1.00 0.00 C ATOM 999 O ALA A 73 2.097 -4.868 -5.944 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.186 -3.705 -8.188 1.00 0.00 C ATOM 0 H ALA A 73 0.972 -4.740 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 73 1.893 -3.300 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.496 -3.243 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.275 -2.980 -8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.825 -4.563 -8.398 1.00 0.00 H new ATOM 1006 N ARG A 74 0.812 -6.336 -7.071 1.00 0.00 N ATOM 1007 CA ARG A 74 0.890 -7.364 -6.052 1.00 0.00 C ATOM 1008 C ARG A 74 2.340 -7.780 -5.850 1.00 0.00 C ATOM 1009 O ARG A 74 2.723 -8.193 -4.757 1.00 0.00 O ATOM 1010 CB ARG A 74 0.039 -8.559 -6.471 1.00 0.00 C ATOM 1011 CG ARG A 74 0.127 -9.646 -5.403 1.00 0.00 C ATOM 1012 CD ARG A 74 -0.979 -10.673 -5.630 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.482 -12.033 -5.427 1.00 0.00 N ATOM 1014 CZ ARG A 74 0.309 -12.656 -6.311 1.00 0.00 C ATOM 1015 NH1 ARG A 74 0.678 -12.031 -7.437 1.00 0.00 N ATOM 1016 NH2 ARG A 74 0.732 -13.905 -6.069 1.00 0.00 N ATOM 0 H ARG A 74 0.255 -6.593 -7.886 1.00 0.00 H new ATOM 0 HA ARG A 74 0.509 -6.976 -5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.998 -8.251 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.385 -8.947 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.102 -10.131 -5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.030 -9.205 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.806 -10.479 -4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.371 -10.573 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.749 -12.529 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.357 -11.081 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.280 -12.505 -8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.452 -14.381 -5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.334 -14.379 -6.742 1.00 0.00 H new ATOM 1030 N LYS A 75 3.148 -7.670 -6.907 1.00 0.00 N ATOM 1031 CA LYS A 75 4.549 -8.035 -6.838 1.00 0.00 C ATOM 1032 C LYS A 75 5.283 -7.096 -5.890 1.00 0.00 C ATOM 1033 O LYS A 75 6.151 -7.526 -5.135 1.00 0.00 O ATOM 1034 CB LYS A 75 5.159 -7.977 -8.235 1.00 0.00 C ATOM 1035 CG LYS A 75 6.216 -9.068 -8.375 1.00 0.00 C ATOM 1036 CD LYS A 75 7.215 -8.674 -9.459 1.00 0.00 C ATOM 1037 CE LYS A 75 7.449 -9.861 -10.390 1.00 0.00 C ATOM 1038 NZ LYS A 75 8.426 -9.525 -11.437 1.00 0.00 N ATOM 0 H LYS A 75 2.847 -7.329 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 75 4.644 -9.051 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.382 -8.110 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.606 -6.998 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.732 -9.213 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.743 -10.017 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.837 -7.823 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.156 -8.362 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.807 -10.714 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.506 -10.159 -10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.568 -10.348 -12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.071 -8.725 -11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.331 -9.264 -10.996 1.00 0.00 H new ATOM 1052 N TYR A 76 4.931 -5.809 -5.933 1.00 0.00 N ATOM 1053 CA TYR A 76 5.558 -4.818 -5.081 1.00 0.00 C ATOM 1054 C TYR A 76 5.142 -5.043 -3.634 1.00 0.00 C ATOM 1055 O TYR A 76 5.991 -5.157 -2.753 1.00 0.00 O ATOM 1056 CB TYR A 76 5.158 -3.422 -5.548 1.00 0.00 C ATOM 1057 CG TYR A 76 5.885 -2.313 -4.824 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.149 -1.902 -5.262 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.294 -1.697 -3.714 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.822 -0.873 -4.592 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.967 -0.669 -3.044 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.231 -0.257 -3.482 1.00 0.00 C ATOM 1063 OH TYR A 76 7.887 0.745 -2.829 1.00 0.00 O ATOM 0 H TYR A 76 4.212 -5.436 -6.553 1.00 0.00 H new ATOM 0 HA TYR A 76 6.642 -4.912 -5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.352 -3.336 -6.617 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.085 -3.294 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.605 -2.379 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.319 -2.015 -3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.797 -0.555 -4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.511 -0.193 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 76 8.737 0.929 -3.281 1.00 0.00 H new ATOM 1073 N ALA A 77 3.831 -5.108 -3.392 1.00 0.00 N ATOM 1074 CA ALA A 77 3.310 -5.318 -2.057 1.00 0.00 C ATOM 1075 C ALA A 77 4.006 -6.508 -1.412 1.00 0.00 C ATOM 1076 O ALA A 77 4.432 -6.432 -0.262 1.00 0.00 O ATOM 1077 CB ALA A 77 1.803 -5.548 -2.130 1.00 0.00 C ATOM 0 H ALA A 77 3.115 -5.017 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 77 3.501 -4.436 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.410 -5.706 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.323 -4.676 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.598 -6.426 -2.742 1.00 0.00 H new ATOM 1083 N SER A 78 4.122 -7.609 -2.158 1.00 0.00 N ATOM 1084 CA SER A 78 4.767 -8.806 -1.656 1.00 0.00 C ATOM 1085 C SER A 78 6.172 -8.474 -1.176 1.00 0.00 C ATOM 1086 O SER A 78 6.600 -8.947 -0.125 1.00 0.00 O ATOM 1087 CB SER A 78 4.807 -9.862 -2.757 1.00 0.00 C ATOM 1088 OG SER A 78 3.538 -9.954 -3.365 1.00 0.00 O ATOM 0 H SER A 78 3.774 -7.688 -3.113 1.00 0.00 H new ATOM 0 HA SER A 78 4.201 -9.201 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.560 -9.600 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.093 -10.827 -2.340 1.00 0.00 H new ATOM 0 HG SER A 78 3.515 -9.383 -4.161 1.00 0.00 H new ATOM 1094 N SER A 79 6.891 -7.657 -1.949 1.00 0.00 N ATOM 1095 CA SER A 79 8.241 -7.265 -1.598 1.00 0.00 C ATOM 1096 C SER A 79 8.227 -6.464 -0.304 1.00 0.00 C ATOM 1097 O SER A 79 9.147 -6.568 0.504 1.00 0.00 O ATOM 1098 CB SER A 79 8.843 -6.445 -2.735 1.00 0.00 C ATOM 1099 OG SER A 79 8.498 -5.088 -2.569 1.00 0.00 O ATOM 0 H SER A 79 6.551 -7.257 -2.824 1.00 0.00 H new ATOM 0 HA SER A 79 8.853 -8.154 -1.444 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.927 -6.557 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.477 -6.810 -3.695 1.00 0.00 H new ATOM 0 HG SER A 79 7.601 -4.932 -2.931 1.00 0.00 H new ATOM 1105 N MET A 80 7.177 -5.663 -0.107 1.00 0.00 N ATOM 1106 CA MET A 80 7.051 -4.850 1.086 1.00 0.00 C ATOM 1107 C MET A 80 6.887 -5.744 2.307 1.00 0.00 C ATOM 1108 O MET A 80 7.434 -5.456 3.369 1.00 0.00 O ATOM 1109 CB MET A 80 5.855 -3.914 0.939 1.00 0.00 C ATOM 1110 CG MET A 80 6.346 -2.472 0.849 1.00 0.00 C ATOM 1111 SD MET A 80 5.017 -1.250 0.721 1.00 0.00 S ATOM 1112 CE MET A 80 4.010 -1.767 2.132 1.00 0.00 C ATOM 0 H MET A 80 6.404 -5.566 -0.766 1.00 0.00 H new ATOM 0 HA MET A 80 7.952 -4.251 1.217 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.285 -4.172 0.046 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.183 -4.028 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.948 -2.248 1.730 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.000 -2.375 -0.018 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.603 -0.887 2.630 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.192 -2.398 1.784 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.627 -2.328 2.833 1.00 0.00 H new ATOM 1122 N LEU A 81 6.131 -6.834 2.153 1.00 0.00 N ATOM 1123 CA LEU A 81 5.899 -7.764 3.240 1.00 0.00 C ATOM 1124 C LEU A 81 7.220 -8.369 3.693 1.00 0.00 C ATOM 1125 O LEU A 81 7.565 -8.301 4.870 1.00 0.00 O ATOM 1126 CB LEU A 81 4.935 -8.854 2.779 1.00 0.00 C ATOM 1127 CG LEU A 81 4.834 -9.931 3.855 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.986 -10.919 3.695 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.908 -9.282 5.234 1.00 0.00 C ATOM 0 H LEU A 81 5.671 -7.087 1.279 1.00 0.00 H new ATOM 0 HA LEU A 81 5.455 -7.238 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.952 -8.426 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.284 -9.291 1.843 1.00 0.00 H new ATOM 0 HG LEU A 81 3.886 -10.459 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.915 -11.689 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.933 -11.383 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.934 -10.392 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.836 -10.051 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.856 -8.754 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.085 -8.576 5.349 1.00 0.00 H new ATOM 1141 N LYS A 82 7.960 -8.963 2.753 1.00 0.00 N ATOM 1142 CA LYS A 82 9.236 -9.576 3.061 1.00 0.00 C ATOM 1143 C LYS A 82 10.114 -8.590 3.819 1.00 0.00 C ATOM 1144 O LYS A 82 10.640 -8.914 4.882 1.00 0.00 O ATOM 1145 CB LYS A 82 9.913 -10.017 1.766 1.00 0.00 C ATOM 1146 CG LYS A 82 9.681 -11.510 1.555 1.00 0.00 C ATOM 1147 CD LYS A 82 8.183 -11.786 1.472 1.00 0.00 C ATOM 1148 CE LYS A 82 7.854 -13.050 2.261 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.765 -14.219 1.372 1.00 0.00 N ATOM 0 H LYS A 82 7.688 -9.028 1.772 1.00 0.00 H new ATOM 0 HA LYS A 82 9.080 -10.451 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.513 -9.453 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.982 -9.807 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.173 -11.840 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.121 -12.077 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.624 -10.940 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.881 -11.905 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.621 -13.221 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.910 -12.918 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.676 -15.083 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.933 -14.124 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.624 -14.277 0.788 1.00 0.00 H new ATOM 1163 N HIS A 83 10.273 -7.383 3.271 1.00 0.00 N ATOM 1164 CA HIS A 83 11.087 -6.362 3.899 1.00 0.00 C ATOM 1165 C HIS A 83 10.890 -6.395 5.408 1.00 0.00 C ATOM 1166 O HIS A 83 11.807 -6.081 6.163 1.00 0.00 O ATOM 1167 CB HIS A 83 10.711 -4.995 3.335 1.00 0.00 C ATOM 1168 CG HIS A 83 11.911 -4.183 2.931 1.00 0.00 C ATOM 1169 ND1 HIS A 83 11.992 -3.337 1.849 1.00 0.00 N ATOM 1170 CD2 HIS A 83 13.119 -4.154 3.575 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.230 -2.810 1.845 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.954 -3.276 2.877 1.00 0.00 N ATOM 0 H HIS A 83 9.844 -7.097 2.391 1.00 0.00 H new ATOM 0 HA HIS A 83 12.139 -6.552 3.688 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.061 -5.130 2.470 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.139 -4.444 4.081 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.380 -4.710 4.463 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.593 -2.106 1.111 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.919 -3.037 3.105 1.00 0.00 H new ATOM 1180 N GLY A 84 9.688 -6.778 5.847 1.00 0.00 N ATOM 1181 CA GLY A 84 9.382 -6.848 7.262 1.00 0.00 C ATOM 1182 C GLY A 84 8.631 -5.599 7.702 1.00 0.00 C ATOM 1183 O GLY A 84 8.423 -5.384 8.894 1.00 0.00 O ATOM 0 H GLY A 84 8.916 -7.043 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.781 -7.734 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.303 -6.948 7.836 1.00 0.00 H new ATOM 1187 N PHE A 85 8.225 -4.773 6.735 1.00 0.00 N ATOM 1188 CA PHE A 85 7.501 -3.552 7.028 1.00 0.00 C ATOM 1189 C PHE A 85 6.038 -3.872 7.298 1.00 0.00 C ATOM 1190 O PHE A 85 5.231 -2.968 7.504 1.00 0.00 O ATOM 1191 CB PHE A 85 7.637 -2.587 5.853 1.00 0.00 C ATOM 1192 CG PHE A 85 9.029 -2.025 5.693 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.724 -1.547 6.811 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.626 -1.984 4.428 1.00 0.00 C ATOM 1195 CE1 PHE A 85 11.016 -1.027 6.663 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.918 -1.464 4.279 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.612 -0.986 5.397 1.00 0.00 C ATOM 0 H PHE A 85 8.390 -4.936 5.742 1.00 0.00 H new ATOM 0 HA PHE A 85 7.919 -3.081 7.918 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.354 -3.103 4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.935 -1.764 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.264 -1.579 7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.090 -2.354 3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.552 -0.658 7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.378 -1.432 3.303 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.608 -0.585 5.283 1.00 0.00 H new ATOM 1207 N LEU A 86 5.696 -5.163 7.295 1.00 0.00 N ATOM 1208 CA LEU A 86 4.335 -5.595 7.539 1.00 0.00 C ATOM 1209 C LEU A 86 4.328 -6.745 8.536 1.00 0.00 C ATOM 1210 O LEU A 86 5.298 -7.494 8.629 1.00 0.00 O ATOM 1211 CB LEU A 86 3.692 -6.017 6.222 1.00 0.00 C ATOM 1212 CG LEU A 86 2.613 -5.010 5.836 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.344 -5.100 4.337 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.330 -5.320 6.603 1.00 0.00 C ATOM 0 H LEU A 86 6.353 -5.924 7.124 1.00 0.00 H new ATOM 0 HA LEU A 86 3.759 -4.772 7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.447 -6.075 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.258 -7.012 6.320 1.00 0.00 H new ATOM 0 HG LEU A 86 2.951 -4.004 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.573 -4.380 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.260 -4.878 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.007 -6.106 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.559 -4.601 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.993 -6.327 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.521 -5.254 7.674 1.00 0.00 H new ATOM 1226 N ARG A 87 3.230 -6.884 9.282 1.00 0.00 N ATOM 1227 CA ARG A 87 3.103 -7.940 10.266 1.00 0.00 C ATOM 1228 C ARG A 87 1.919 -8.830 9.917 1.00 0.00 C ATOM 1229 O ARG A 87 0.773 -8.390 9.965 1.00 0.00 O ATOM 1230 CB ARG A 87 2.925 -7.323 11.651 1.00 0.00 C ATOM 1231 CG ARG A 87 4.139 -6.460 11.983 1.00 0.00 C ATOM 1232 CD ARG A 87 5.230 -7.331 12.600 1.00 0.00 C ATOM 1233 NE ARG A 87 5.722 -6.749 13.849 1.00 0.00 N ATOM 1234 CZ ARG A 87 5.150 -6.989 15.037 1.00 0.00 C ATOM 1235 NH1 ARG A 87 4.080 -7.792 15.115 1.00 0.00 N ATOM 1236 NH2 ARG A 87 5.646 -6.425 16.146 1.00 0.00 N ATOM 0 H ARG A 87 2.417 -6.271 9.216 1.00 0.00 H new ATOM 0 HA ARG A 87 4.005 -8.552 10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.018 -6.719 11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.808 -8.108 12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.512 -5.976 11.080 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.856 -5.667 12.676 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.838 -8.330 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.055 -7.440 11.896 1.00 0.00 H new ATOM 0 HE ARG A 87 6.535 -6.134 13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.701 -8.220 14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.644 -7.975 16.019 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.459 -5.812 16.087 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.210 -6.608 17.050 1.00 0.00 H new ATOM 1250 N HIS A 88 2.198 -10.088 9.566 1.00 0.00 N ATOM 1251 CA HIS A 88 1.154 -11.029 9.210 1.00 0.00 C ATOM 1252 C HIS A 88 1.017 -12.088 10.295 1.00 0.00 C ATOM 1253 O HIS A 88 1.835 -12.152 11.210 1.00 0.00 O ATOM 1254 CB HIS A 88 1.486 -11.671 7.866 1.00 0.00 C ATOM 1255 CG HIS A 88 1.652 -10.660 6.765 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.461 -9.302 6.875 1.00 0.00 N ATOM 1257 CD2 HIS A 88 2.021 -10.926 5.474 1.00 0.00 C ATOM 1258 CE1 HIS A 88 1.711 -8.764 5.668 1.00 0.00 C ATOM 1259 NE2 HIS A 88 2.057 -9.713 4.781 1.00 0.00 N ATOM 0 H HIS A 88 3.142 -10.471 9.523 1.00 0.00 H new ATOM 0 HA HIS A 88 0.203 -10.504 9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.404 -12.251 7.962 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.694 -12.369 7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.245 -11.900 5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.643 -7.710 5.442 1.00 0.00 H new ATOM 0 HE2 HIS A 88 2.297 -9.575 3.799 1.00 0.00 H new ATOM 1267 N THR A 89 -0.021 -12.921 10.191 1.00 0.00 N ATOM 1268 CA THR A 89 -0.255 -13.970 11.163 1.00 0.00 C ATOM 1269 C THR A 89 0.123 -15.320 10.570 1.00 0.00 C ATOM 1270 O THR A 89 -0.717 -16.210 10.461 1.00 0.00 O ATOM 1271 CB THR A 89 -1.722 -13.955 11.583 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.499 -14.597 10.596 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.191 -12.512 11.741 1.00 0.00 C ATOM 0 H THR A 89 -0.709 -12.882 9.439 1.00 0.00 H new ATOM 0 HA THR A 89 0.364 -13.798 12.044 1.00 0.00 H new ATOM 0 HB THR A 89 -1.834 -14.479 12.532 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.330 -15.562 10.623 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.239 -12.501 12.041 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.590 -12.015 12.503 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.080 -11.987 10.792 1.00 0.00 H new ATOM 1281 N VAL A 90 1.393 -15.470 10.186 1.00 0.00 N ATOM 1282 CA VAL A 90 1.876 -16.707 9.607 1.00 0.00 C ATOM 1283 C VAL A 90 3.190 -17.104 10.264 1.00 0.00 C ATOM 1284 O VAL A 90 3.653 -16.434 11.185 1.00 0.00 O ATOM 1285 CB VAL A 90 2.057 -16.527 8.102 1.00 0.00 C ATOM 1286 CG1 VAL A 90 0.728 -16.113 7.476 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.101 -15.446 7.841 1.00 0.00 C ATOM 0 H VAL A 90 2.102 -14.741 10.270 1.00 0.00 H new ATOM 0 HA VAL A 90 1.151 -17.502 9.780 1.00 0.00 H new ATOM 0 HB VAL A 90 2.389 -17.467 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.856 -15.984 6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.018 -16.885 7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.395 -15.173 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.231 -15.317 6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.769 -14.506 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.050 -15.741 8.288 1.00 0.00 H new ATOM 1297 N ASN A 91 3.791 -18.198 9.789 1.00 0.00 N ATOM 1298 CA ASN A 91 5.046 -18.675 10.333 1.00 0.00 C ATOM 1299 C ASN A 91 5.993 -17.505 10.559 1.00 0.00 C ATOM 1300 O ASN A 91 6.553 -17.356 11.642 1.00 0.00 O ATOM 1301 CB ASN A 91 5.661 -19.690 9.373 1.00 0.00 C ATOM 1302 CG ASN A 91 6.322 -20.829 10.136 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.685 -21.842 10.416 1.00 0.00 O ATOM 1304 ND2 ASN A 91 7.603 -20.661 10.472 1.00 0.00 N ATOM 0 H ASN A 91 3.420 -18.765 9.027 1.00 0.00 H new ATOM 0 HA ASN A 91 4.868 -19.160 11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.889 -20.088 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.397 -19.197 8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.096 -21.392 10.984 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.089 -19.801 10.216 1.00 0.00 H new ATOM 1311 N LYS A 92 6.170 -16.672 9.530 1.00 0.00 N ATOM 1312 CA LYS A 92 7.046 -15.521 9.623 1.00 0.00 C ATOM 1313 C LYS A 92 6.337 -14.286 9.085 1.00 0.00 C ATOM 1314 O LYS A 92 6.066 -13.348 9.832 1.00 0.00 O ATOM 1315 CB LYS A 92 8.326 -15.793 8.838 1.00 0.00 C ATOM 1316 CG LYS A 92 9.028 -17.017 9.419 1.00 0.00 C ATOM 1317 CD LYS A 92 10.516 -16.723 9.579 1.00 0.00 C ATOM 1318 CE LYS A 92 11.173 -17.844 10.380 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.326 -17.342 11.143 1.00 0.00 N ATOM 0 H LYS A 92 5.713 -16.781 8.625 1.00 0.00 H new ATOM 0 HA LYS A 92 7.305 -15.341 10.666 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.092 -15.960 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.985 -14.926 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.592 -17.275 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.885 -17.876 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.988 -16.636 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.657 -15.769 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.445 -18.283 11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.496 -18.637 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.755 -18.124 11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.029 -16.945 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.010 -16.602 11.803 1.00 0.00 H new ATOM 1333 N ILE A 93 6.036 -14.288 7.784 1.00 0.00 N ATOM 1334 CA ILE A 93 5.360 -13.173 7.152 1.00 0.00 C ATOM 1335 C ILE A 93 4.755 -13.620 5.829 1.00 0.00 C ATOM 1336 O ILE A 93 3.590 -13.345 5.553 1.00 0.00 O ATOM 1337 CB ILE A 93 6.352 -12.033 6.937 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.756 -12.606 6.765 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.327 -11.101 8.145 1.00 0.00 C ATOM 1340 CD1 ILE A 93 7.998 -12.927 5.293 1.00 0.00 C ATOM 0 H ILE A 93 6.255 -15.058 7.152 1.00 0.00 H new ATOM 0 HA ILE A 93 4.555 -12.819 7.795 1.00 0.00 H new ATOM 0 HB ILE A 93 6.075 -11.475 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.498 -11.890 7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.869 -13.507 7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.035 -10.287 7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.324 -10.691 8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.603 -11.658 9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.001 -13.336 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.264 -13.658 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 93 7.903 -12.016 4.702 1.00 0.00 H new ATOM 1352 N THR A 94 5.550 -14.312 5.010 1.00 0.00 N ATOM 1353 CA THR A 94 5.085 -14.792 3.724 1.00 0.00 C ATOM 1354 C THR A 94 3.859 -14.003 3.288 1.00 0.00 C ATOM 1355 O THR A 94 2.740 -14.317 3.689 1.00 0.00 O ATOM 1356 CB THR A 94 4.763 -16.280 3.824 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.787 -16.615 2.862 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.230 -16.593 5.219 1.00 0.00 C ATOM 0 H THR A 94 6.519 -14.549 5.223 1.00 0.00 H new ATOM 0 HA THR A 94 5.866 -14.651 2.976 1.00 0.00 H new ATOM 0 HB THR A 94 5.668 -16.860 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.580 -17.571 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.000 -17.656 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.983 -16.334 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.325 -16.013 5.401 1.00 0.00 H new ATOM 1366 N PHE A 95 4.071 -12.974 2.464 1.00 0.00 N ATOM 1367 CA PHE A 95 2.984 -12.148 1.979 1.00 0.00 C ATOM 1368 C PHE A 95 1.805 -13.026 1.583 1.00 0.00 C ATOM 1369 O PHE A 95 1.950 -14.239 1.447 1.00 0.00 O ATOM 1370 CB PHE A 95 3.466 -11.321 0.791 1.00 0.00 C ATOM 1371 CG PHE A 95 2.498 -10.239 0.377 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.237 -9.166 1.238 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.863 -10.307 -0.869 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.341 -8.162 0.853 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.967 -9.302 -1.254 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.706 -8.230 -0.393 1.00 0.00 C ATOM 0 H PHE A 95 4.992 -12.699 2.123 1.00 0.00 H new ATOM 0 HA PHE A 95 2.657 -11.470 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.424 -10.864 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.641 -11.984 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.727 -9.113 2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.064 -11.135 -1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.139 -7.335 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.477 -9.354 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.015 -7.455 -0.690 1.00 0.00 H new ATOM 1386 N SER A 96 0.635 -12.410 1.398 1.00 0.00 N ATOM 1387 CA SER A 96 -0.559 -13.137 1.018 1.00 0.00 C ATOM 1388 C SER A 96 -1.551 -12.191 0.355 1.00 0.00 C ATOM 1389 O SER A 96 -1.762 -12.258 -0.854 1.00 0.00 O ATOM 1390 CB SER A 96 -1.174 -13.784 2.256 1.00 0.00 C ATOM 1391 OG SER A 96 -0.521 -15.006 2.520 1.00 0.00 O ATOM 0 H SER A 96 0.498 -11.405 1.508 1.00 0.00 H new ATOM 0 HA SER A 96 -0.301 -13.919 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.081 -13.117 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.239 -13.955 2.099 1.00 0.00 H new ATOM 0 HG SER A 96 0.386 -14.979 2.150 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.159 -11.307 1.150 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.121 -10.354 0.634 1.00 0.00 C ATOM 1399 C GLU A 97 -4.485 -11.016 0.497 1.00 0.00 C ATOM 1400 O GLU A 97 -5.004 -11.151 -0.609 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.638 -9.826 -0.714 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.320 -8.494 -1.012 1.00 0.00 C ATOM 1403 CD GLU A 97 -4.043 -8.541 -2.350 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -3.797 -7.622 -3.161 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -4.829 -9.494 -2.537 1.00 0.00 O ATOM 0 H GLU A 97 -1.996 -11.238 2.155 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.216 -9.517 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.556 -9.698 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.863 -10.546 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.030 -8.259 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.578 -7.696 -1.023 1.00 0.00 H new ATOM 1413 N GLN A 98 -5.066 -11.427 1.626 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.364 -12.071 1.627 1.00 0.00 C ATOM 1415 C GLN A 98 -7.007 -11.938 3.000 1.00 0.00 C ATOM 1416 O GLN A 98 -8.162 -11.532 3.111 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.202 -13.540 1.246 1.00 0.00 C ATOM 1418 CG GLN A 98 -6.705 -13.756 -0.178 1.00 0.00 C ATOM 1419 CD GLN A 98 -7.178 -15.190 -0.375 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -8.154 -15.613 0.240 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -6.480 -15.937 -1.234 1.00 0.00 N ATOM 0 H GLN A 98 -4.649 -11.321 2.551 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.013 -11.588 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.155 -13.833 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.759 -14.170 1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.523 -13.067 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.909 -13.531 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.677 -15.539 -1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.750 -16.906 -1.404 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.254 -12.281 4.048 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.746 -12.198 5.408 1.00 0.00 C ATOM 1432 C CYS A 99 -6.681 -10.755 5.887 1.00 0.00 C ATOM 1433 O CYS A 99 -6.938 -9.833 5.117 1.00 0.00 O ATOM 1434 CB CYS A 99 -5.911 -13.106 6.306 1.00 0.00 C ATOM 1435 SG CYS A 99 -6.948 -13.684 7.673 1.00 0.00 S ATOM 0 H CYS A 99 -5.295 -12.620 3.970 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.784 -12.528 5.448 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.530 -13.954 5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -5.046 -12.565 6.690 1.00 0.00 H new ATOM 0 HG CYS A 99 -7.559 -12.671 8.212 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.337 -10.561 7.162 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.243 -9.232 7.733 1.00 0.00 C ATOM 1443 C TYR A 100 -4.961 -9.108 8.544 1.00 0.00 C ATOM 1444 O TYR A 100 -4.786 -9.803 9.543 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.465 -8.969 8.609 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.783 -10.102 9.555 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -7.171 -10.157 10.813 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -8.691 -11.098 9.174 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -7.466 -11.208 11.690 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.986 -12.149 10.051 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.373 -12.204 11.309 1.00 0.00 C ATOM 1452 OH TYR A 100 -8.661 -13.228 12.163 1.00 0.00 O ATOM 0 H TYR A 100 -6.120 -11.315 7.814 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.217 -8.490 6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.299 -8.060 9.187 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.329 -8.787 7.969 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -6.471 -9.389 11.107 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.164 -11.055 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.994 -11.250 12.660 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -9.686 -12.917 9.757 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.310 -13.831 11.744 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.063 -8.219 8.113 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.804 -8.012 8.800 1.00 0.00 C ATOM 1464 C TYR A 101 -2.691 -6.560 9.242 1.00 0.00 C ATOM 1465 O TYR A 101 -3.619 -5.777 9.053 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.652 -8.386 7.872 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.599 -9.859 7.542 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.262 -10.784 8.357 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.886 -10.299 6.420 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.212 -12.149 8.051 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.836 -11.664 6.114 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.499 -12.589 6.930 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.450 -13.920 6.631 1.00 0.00 O ATOM 0 H TYR A 101 -4.193 -7.633 7.288 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.760 -8.645 9.686 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.742 -7.817 6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.711 -8.092 8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.812 -10.444 9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.375 -9.585 5.791 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.724 -12.863 8.680 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.286 -12.004 5.249 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.915 -14.054 5.821 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.547 -6.201 9.831 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.318 -4.848 10.296 1.00 0.00 C ATOM 1485 C VAL A 102 0.161 -4.507 10.178 1.00 0.00 C ATOM 1486 O VAL A 102 1.016 -5.352 10.431 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.789 -4.721 11.741 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.596 -4.409 12.640 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.812 -3.593 11.845 1.00 0.00 C ATOM 0 H VAL A 102 -0.767 -6.838 9.993 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.883 -4.147 9.682 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.247 -5.658 12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.933 -4.318 13.673 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.136 -5.214 12.566 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.138 -3.472 12.324 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.149 -3.502 12.878 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.354 -2.656 11.529 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.665 -3.815 11.203 1.00 0.00 H new ATOM 1499 N PHE A 103 0.460 -3.265 9.791 1.00 0.00 N ATOM 1500 CA PHE A 103 1.832 -2.822 9.644 1.00 0.00 C ATOM 1501 C PHE A 103 2.662 -3.311 10.822 1.00 0.00 C ATOM 1502 O PHE A 103 2.120 -3.847 11.786 1.00 0.00 O ATOM 1503 CB PHE A 103 1.866 -1.299 9.553 1.00 0.00 C ATOM 1504 CG PHE A 103 1.291 -0.609 10.766 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.956 -0.686 11.996 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.091 0.105 10.663 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.422 -0.049 13.122 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.443 0.743 11.790 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.223 0.666 13.019 1.00 0.00 C ATOM 0 H PHE A 103 -0.238 -2.553 9.575 1.00 0.00 H new ATOM 0 HA PHE A 103 2.257 -3.238 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.897 -0.974 9.415 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.312 -0.984 8.669 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.881 -1.237 12.076 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.423 0.164 9.715 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.935 -0.109 14.070 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.368 1.294 11.711 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.188 1.158 13.888 1.00 0.00 H new ATOM 1519 N GLY A 104 3.982 -3.126 10.743 1.00 0.00 N ATOM 1520 CA GLY A 104 4.875 -3.550 11.803 1.00 0.00 C ATOM 1521 C GLY A 104 5.680 -2.366 12.320 1.00 0.00 C ATOM 1522 O GLY A 104 5.667 -1.294 11.720 1.00 0.00 O ATOM 0 H GLY A 104 4.448 -2.684 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.300 -3.991 12.617 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.549 -4.323 11.433 1.00 0.00 H new ATOM 1526 N ASP A 105 6.381 -2.563 13.439 1.00 0.00 N ATOM 1527 CA ASP A 105 7.186 -1.513 14.031 1.00 0.00 C ATOM 1528 C ASP A 105 8.499 -2.094 14.536 1.00 0.00 C ATOM 1529 O ASP A 105 8.507 -2.895 15.468 1.00 0.00 O ATOM 1530 CB ASP A 105 6.409 -0.859 15.171 1.00 0.00 C ATOM 1531 CG ASP A 105 5.702 0.402 14.694 1.00 0.00 C ATOM 1532 OD1 ASP A 105 4.897 0.277 13.746 1.00 0.00 O ATOM 1533 OD2 ASP A 105 5.981 1.467 15.286 1.00 0.00 O ATOM 0 H ASP A 105 6.402 -3.446 13.949 1.00 0.00 H new ATOM 0 HA ASP A 105 7.412 -0.755 13.281 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.677 -1.563 15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.090 -0.613 15.986 1.00 0.00 H new TER 1539 ASP A 105