USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 901 ZNZN :(H bumps) USER MOD Set 1.1: A 130 GLN :FLIP amide:sc= -1.91 F(o=-3.9,f=-2.6) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.69 K(o=-2.6,f=-6.7!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 51:sc= 0.278 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.301 F(o=-0.91,f=-0.3) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -52:sc= 0.983 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 159:sc= -0.0749 (180deg=-0.506) USER MOD Single : A 125 ASN : amide:sc= -4.63! C(o=-4.6!,f=-6.6!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 169:sc= -0.534 (180deg=-1.29) USER MOD Single : A 134 GLN : amide:sc= 0.575 K(o=0.57,f=-0.066) USER MOD Single : A 140 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 143 ASN :FLIP amide:sc= -0.0493 F(o=-0.91,f=-0.049) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0.0837 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 105 13.202 8.337 5.801 1.00 0.00 N ATOM 2 CA GLY A 105 13.462 9.444 4.899 1.00 0.00 C ATOM 3 C GLY A 105 12.362 9.628 3.873 1.00 0.00 C ATOM 4 O GLY A 105 12.258 8.856 2.920 1.00 0.00 O ATOM 0 HA2 GLY A 105 13.572 10.361 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.409 9.275 4.386 1.00 0.00 H new ATOM 8 N SER A 106 11.537 10.651 4.069 1.00 0.00 N ATOM 9 CA SER A 106 10.435 10.930 3.156 1.00 0.00 C ATOM 10 C SER A 106 10.320 12.427 2.884 1.00 0.00 C ATOM 11 O SER A 106 9.730 13.169 3.670 1.00 0.00 O ATOM 12 CB SER A 106 9.120 10.404 3.734 1.00 0.00 C ATOM 13 OG SER A 106 9.300 9.133 4.335 1.00 0.00 O ATOM 0 H SER A 106 11.611 11.301 4.852 1.00 0.00 H new ATOM 0 HA SER A 106 10.639 10.421 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.736 11.108 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.374 10.333 2.943 1.00 0.00 H new ATOM 0 HG SER A 106 8.446 8.819 4.698 1.00 0.00 H new ATOM 19 N ASP A 107 10.889 12.864 1.766 1.00 0.00 N ATOM 20 CA ASP A 107 10.851 14.272 1.388 1.00 0.00 C ATOM 21 C ASP A 107 10.031 14.471 0.117 1.00 0.00 C ATOM 22 O ASP A 107 10.321 15.357 -0.688 1.00 0.00 O ATOM 23 CB ASP A 107 12.270 14.805 1.183 1.00 0.00 C ATOM 24 CG ASP A 107 12.401 16.264 1.574 1.00 0.00 C ATOM 25 OD1 ASP A 107 12.598 16.542 2.776 1.00 0.00 O ATOM 26 OD2 ASP A 107 12.309 17.129 0.678 1.00 0.00 O ATOM 0 H ASP A 107 11.382 12.263 1.105 1.00 0.00 H new ATOM 0 HA ASP A 107 10.376 14.828 2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.968 14.210 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 107 12.553 14.685 0.137 1.00 0.00 H new ATOM 31 N SER A 108 9.007 13.642 -0.057 1.00 0.00 N ATOM 32 CA SER A 108 8.148 13.724 -1.232 1.00 0.00 C ATOM 33 C SER A 108 6.940 12.803 -1.088 1.00 0.00 C ATOM 34 O SER A 108 6.948 11.669 -1.567 1.00 0.00 O ATOM 35 CB SER A 108 8.935 13.357 -2.492 1.00 0.00 C ATOM 36 OG SER A 108 9.619 12.127 -2.326 1.00 0.00 O ATOM 0 H SER A 108 8.752 12.906 0.601 1.00 0.00 H new ATOM 0 HA SER A 108 7.792 14.751 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.256 13.287 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.651 14.147 -2.720 1.00 0.00 H new ATOM 0 HG SER A 108 8.995 11.448 -1.994 1.00 0.00 H new ATOM 42 N PHE A 109 5.902 13.300 -0.422 1.00 0.00 N ATOM 43 CA PHE A 109 4.686 12.523 -0.213 1.00 0.00 C ATOM 44 C PHE A 109 3.542 13.062 -1.066 1.00 0.00 C ATOM 45 O PHE A 109 2.788 13.933 -0.632 1.00 0.00 O ATOM 46 CB PHE A 109 4.290 12.545 1.265 1.00 0.00 C ATOM 47 CG PHE A 109 4.506 13.878 1.923 1.00 0.00 C ATOM 48 CD1 PHE A 109 5.739 14.206 2.464 1.00 0.00 C ATOM 49 CD2 PHE A 109 3.477 14.802 2.001 1.00 0.00 C ATOM 50 CE1 PHE A 109 5.940 15.432 3.071 1.00 0.00 C ATOM 51 CE2 PHE A 109 3.672 16.029 2.607 1.00 0.00 C ATOM 52 CZ PHE A 109 4.905 16.344 3.142 1.00 0.00 C ATOM 0 H PHE A 109 5.879 14.236 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 109 4.886 11.494 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.239 12.270 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.865 11.788 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.552 13.496 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.511 14.561 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.905 15.676 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.861 16.740 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.060 17.302 3.615 1.00 0.00 H new ATOM 62 N GLN A 110 3.420 12.539 -2.281 1.00 0.00 N ATOM 63 CA GLN A 110 2.369 12.969 -3.196 1.00 0.00 C ATOM 64 C GLN A 110 0.990 12.677 -2.616 1.00 0.00 C ATOM 65 O GLN A 110 0.809 11.765 -1.808 1.00 0.00 O ATOM 66 CB GLN A 110 2.525 12.272 -4.549 1.00 0.00 C ATOM 67 CG GLN A 110 3.952 12.269 -5.071 1.00 0.00 C ATOM 68 CD GLN A 110 4.658 13.592 -4.848 1.00 0.00 C ATOM 69 OE1 GLN A 110 3.971 14.688 -5.145 1.00 0.00 O flip ATOM 70 NE2 GLN A 110 5.810 13.628 -4.412 1.00 0.00 N flip ATOM 0 H GLN A 110 4.036 11.817 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 110 2.463 14.046 -3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.177 11.243 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.881 12.764 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.513 11.475 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 110 3.944 12.041 -6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 110 6.301 12.760 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.272 14.525 -4.266 1.00 0.00 H new ATOM 79 N PRO A 111 -0.009 13.468 -3.035 1.00 0.00 N ATOM 80 CA PRO A 111 -1.390 13.313 -2.570 1.00 0.00 C ATOM 81 C PRO A 111 -2.043 12.042 -3.103 1.00 0.00 C ATOM 82 O PRO A 111 -2.920 11.467 -2.459 1.00 0.00 O ATOM 83 CB PRO A 111 -2.095 14.551 -3.131 1.00 0.00 C ATOM 84 CG PRO A 111 -1.289 14.937 -4.323 1.00 0.00 C ATOM 85 CD PRO A 111 0.133 14.574 -3.997 1.00 0.00 C ATOM 0 HA PRO A 111 -1.447 13.228 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -3.126 14.329 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.126 15.356 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.632 14.410 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.382 16.003 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.683 14.265 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 111 0.674 15.416 -3.564 1.00 0.00 H new ATOM 93 N GLU A 112 -1.607 11.608 -4.281 1.00 0.00 N ATOM 94 CA GLU A 112 -2.150 10.404 -4.899 1.00 0.00 C ATOM 95 C GLU A 112 -1.134 9.266 -4.859 1.00 0.00 C ATOM 96 O GLU A 112 -1.487 8.099 -5.025 1.00 0.00 O ATOM 97 CB GLU A 112 -2.559 10.686 -6.347 1.00 0.00 C ATOM 98 CG GLU A 112 -4.000 11.145 -6.494 1.00 0.00 C ATOM 99 CD GLU A 112 -4.138 12.654 -6.465 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.979 13.286 -7.531 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.406 13.204 -5.377 1.00 0.00 O ATOM 0 H GLU A 112 -0.880 12.071 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.031 10.102 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.899 11.449 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.412 9.783 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.404 10.765 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.598 10.714 -5.691 1.00 0.00 H new ATOM 108 N ALA A 113 0.129 9.616 -4.639 1.00 0.00 N ATOM 109 CA ALA A 113 1.196 8.625 -4.575 1.00 0.00 C ATOM 110 C ALA A 113 1.912 8.675 -3.230 1.00 0.00 C ATOM 111 O ALA A 113 2.926 9.357 -3.080 1.00 0.00 O ATOM 112 CB ALA A 113 2.185 8.842 -5.711 1.00 0.00 C ATOM 0 H ALA A 113 0.438 10.578 -4.502 1.00 0.00 H new ATOM 0 HA ALA A 113 0.748 7.637 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.977 8.095 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.668 8.748 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.619 9.839 -5.630 1.00 0.00 H new ATOM 118 N LYS A 114 1.378 7.949 -2.253 1.00 0.00 N ATOM 119 CA LYS A 114 1.966 7.910 -0.920 1.00 0.00 C ATOM 120 C LYS A 114 2.407 6.494 -0.561 1.00 0.00 C ATOM 121 O LYS A 114 1.578 5.613 -0.336 1.00 0.00 O ATOM 122 CB LYS A 114 0.964 8.421 0.117 1.00 0.00 C ATOM 123 CG LYS A 114 1.407 8.199 1.553 1.00 0.00 C ATOM 124 CD LYS A 114 0.839 9.258 2.482 1.00 0.00 C ATOM 125 CE LYS A 114 1.940 10.109 3.098 1.00 0.00 C ATOM 126 NZ LYS A 114 1.434 11.439 3.536 1.00 0.00 N ATOM 0 H LYS A 114 0.539 7.380 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 114 2.843 8.557 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.800 9.487 -0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.007 7.924 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.085 7.212 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.496 8.214 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.150 9.897 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.263 8.778 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.369 9.585 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.742 10.246 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.214 11.988 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.047 11.950 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.687 11.309 4.247 1.00 0.00 H new ATOM 140 N VAL A 115 3.719 6.283 -0.509 1.00 0.00 N ATOM 141 CA VAL A 115 4.270 4.975 -0.175 1.00 0.00 C ATOM 142 C VAL A 115 4.285 4.754 1.334 1.00 0.00 C ATOM 143 O VAL A 115 5.073 5.368 2.053 1.00 0.00 O ATOM 144 CB VAL A 115 5.701 4.813 -0.721 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.181 3.381 -0.544 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.762 5.228 -2.183 1.00 0.00 C ATOM 0 H VAL A 115 4.419 7.001 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 115 3.625 4.231 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 115 6.365 5.465 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.194 3.286 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.176 3.124 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.518 2.706 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.780 5.107 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.087 4.603 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.463 6.272 -2.278 1.00 0.00 H new ATOM 156 N ARG A 116 3.410 3.873 1.806 1.00 0.00 N ATOM 157 CA ARG A 116 3.322 3.571 3.230 1.00 0.00 C ATOM 158 C ARG A 116 3.260 2.065 3.463 1.00 0.00 C ATOM 159 O ARG A 116 2.181 1.471 3.469 1.00 0.00 O ATOM 160 CB ARG A 116 2.092 4.244 3.841 1.00 0.00 C ATOM 161 CG ARG A 116 2.414 5.507 4.624 1.00 0.00 C ATOM 162 CD ARG A 116 2.301 5.277 6.123 1.00 0.00 C ATOM 163 NE ARG A 116 1.065 5.831 6.670 1.00 0.00 N ATOM 164 CZ ARG A 116 0.696 5.692 7.938 1.00 0.00 C ATOM 165 NH1 ARG A 116 1.463 5.021 8.786 1.00 0.00 N ATOM 166 NH2 ARG A 116 -0.443 6.226 8.361 1.00 0.00 N ATOM 0 H ARG A 116 2.752 3.356 1.224 1.00 0.00 H new ATOM 0 HA ARG A 116 4.218 3.960 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.390 4.490 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.591 3.536 4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.423 5.840 4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.734 6.305 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.342 4.208 6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.155 5.731 6.625 1.00 0.00 H new ATOM 0 HE ARG A 116 0.452 6.353 6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.339 4.610 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 116 1.177 4.916 9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -1.036 6.744 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.726 6.119 9.335 1.00 0.00 H new ATOM 180 N CYS A 117 4.423 1.452 3.654 1.00 0.00 N ATOM 181 CA CYS A 117 4.503 0.015 3.887 1.00 0.00 C ATOM 182 C CYS A 117 4.829 -0.282 5.348 1.00 0.00 C ATOM 183 O CYS A 117 5.371 0.565 6.058 1.00 0.00 O ATOM 184 CB CYS A 117 5.562 -0.612 2.979 1.00 0.00 C ATOM 185 SG CYS A 117 5.432 -2.423 2.826 1.00 0.00 S ATOM 0 H CYS A 117 5.325 1.929 3.652 1.00 0.00 H new ATOM 0 HA CYS A 117 3.531 -0.420 3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.484 -0.168 1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.550 -0.361 3.364 1.00 0.00 H new ATOM 190 N ILE A 118 4.495 -1.490 5.789 1.00 0.00 N ATOM 191 CA ILE A 118 4.754 -1.900 7.164 1.00 0.00 C ATOM 192 C ILE A 118 6.242 -1.820 7.490 1.00 0.00 C ATOM 193 O ILE A 118 6.628 -1.722 8.655 1.00 0.00 O ATOM 194 CB ILE A 118 4.258 -3.334 7.427 1.00 0.00 C ATOM 195 CG1 ILE A 118 4.875 -4.303 6.417 1.00 0.00 C ATOM 196 CG2 ILE A 118 2.739 -3.389 7.362 1.00 0.00 C ATOM 197 CD1 ILE A 118 4.548 -5.754 6.694 1.00 0.00 C ATOM 0 H ILE A 118 4.044 -2.202 5.214 1.00 0.00 H new ATOM 0 HA ILE A 118 4.206 -1.212 7.807 1.00 0.00 H new ATOM 0 HB ILE A 118 4.571 -3.633 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.525 -4.045 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.958 -4.176 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.403 -4.409 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.318 -2.724 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.405 -3.074 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.018 -6.384 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.922 -6.029 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.468 -5.896 6.663 1.00 0.00 H new ATOM 209 N CYS A 119 7.072 -1.861 6.454 1.00 0.00 N ATOM 210 CA CYS A 119 8.518 -1.792 6.629 1.00 0.00 C ATOM 211 C CYS A 119 8.984 -0.343 6.738 1.00 0.00 C ATOM 212 O CYS A 119 10.165 -0.075 6.959 1.00 0.00 O ATOM 213 CB CYS A 119 9.227 -2.481 5.461 1.00 0.00 C ATOM 214 SG CYS A 119 8.974 -1.665 3.852 1.00 0.00 S ATOM 0 H CYS A 119 6.768 -1.942 5.484 1.00 0.00 H new ATOM 0 HA CYS A 119 8.772 -2.308 7.555 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.296 -2.522 5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 119 8.876 -3.511 5.393 1.00 0.00 H new ATOM 219 N SER A 120 8.048 0.587 6.583 1.00 0.00 N ATOM 220 CA SER A 120 8.363 2.009 6.660 1.00 0.00 C ATOM 221 C SER A 120 9.476 2.373 5.683 1.00 0.00 C ATOM 222 O SER A 120 10.327 3.212 5.979 1.00 0.00 O ATOM 223 CB SER A 120 8.776 2.385 8.085 1.00 0.00 C ATOM 224 OG SER A 120 10.150 2.117 8.304 1.00 0.00 O ATOM 0 H SER A 120 7.065 0.382 6.403 1.00 0.00 H new ATOM 0 HA SER A 120 7.468 2.569 6.389 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.576 3.442 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.174 1.826 8.801 1.00 0.00 H new ATOM 0 HG SER A 120 10.349 1.193 8.043 1.00 0.00 H new ATOM 230 N SER A 121 9.464 1.735 4.517 1.00 0.00 N ATOM 231 CA SER A 121 10.474 1.988 3.496 1.00 0.00 C ATOM 232 C SER A 121 9.825 2.406 2.180 1.00 0.00 C ATOM 233 O SER A 121 9.095 1.631 1.560 1.00 0.00 O ATOM 234 CB SER A 121 11.334 0.741 3.280 1.00 0.00 C ATOM 235 OG SER A 121 12.676 1.091 2.988 1.00 0.00 O ATOM 0 H SER A 121 8.766 1.039 4.256 1.00 0.00 H new ATOM 0 HA SER A 121 11.109 2.804 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.304 0.116 4.172 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.923 0.149 2.462 1.00 0.00 H new ATOM 0 HG SER A 121 13.205 0.277 2.856 1.00 0.00 H new ATOM 241 N THR A 122 10.095 3.638 1.760 1.00 0.00 N ATOM 242 CA THR A 122 9.537 4.161 0.519 1.00 0.00 C ATOM 243 C THR A 122 10.499 3.956 -0.646 1.00 0.00 C ATOM 244 O THR A 122 10.532 4.754 -1.582 1.00 0.00 O ATOM 245 CB THR A 122 9.206 5.661 0.640 1.00 0.00 C ATOM 246 OG1 THR A 122 10.415 6.421 0.755 1.00 0.00 O ATOM 247 CG2 THR A 122 8.319 5.924 1.847 1.00 0.00 C ATOM 0 H THR A 122 10.696 4.292 2.261 1.00 0.00 H new ATOM 0 HA THR A 122 8.617 3.608 0.328 1.00 0.00 H new ATOM 0 HB THR A 122 8.669 5.966 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.197 7.373 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.099 6.990 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.388 5.367 1.743 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.834 5.604 2.753 1.00 0.00 H new ATOM 255 N MET A 123 11.279 2.883 -0.581 1.00 0.00 N ATOM 256 CA MET A 123 12.241 2.573 -1.633 1.00 0.00 C ATOM 257 C MET A 123 11.591 1.746 -2.738 1.00 0.00 C ATOM 258 O MET A 123 10.403 1.428 -2.672 1.00 0.00 O ATOM 259 CB MET A 123 13.438 1.818 -1.052 1.00 0.00 C ATOM 260 CG MET A 123 14.736 2.607 -1.101 1.00 0.00 C ATOM 261 SD MET A 123 16.187 1.577 -0.808 1.00 0.00 S ATOM 262 CE MET A 123 16.235 0.622 -2.323 1.00 0.00 C ATOM 0 H MET A 123 11.264 2.213 0.188 1.00 0.00 H new ATOM 0 HA MET A 123 12.587 3.513 -2.063 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.222 1.553 -0.017 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.569 0.885 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.828 3.088 -2.075 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.702 3.401 -0.355 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.239 0.225 -2.471 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.525 -0.203 -2.256 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.970 1.262 -3.165 1.00 0.00 H new ATOM 272 N VAL A 124 12.376 1.402 -3.754 1.00 0.00 N ATOM 273 CA VAL A 124 11.877 0.612 -4.873 1.00 0.00 C ATOM 274 C VAL A 124 12.075 -0.879 -4.624 1.00 0.00 C ATOM 275 O VAL A 124 13.090 -1.454 -5.014 1.00 0.00 O ATOM 276 CB VAL A 124 12.576 1.000 -6.189 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.909 0.312 -7.371 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.572 2.510 -6.370 1.00 0.00 C ATOM 0 H VAL A 124 13.361 1.658 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 124 10.811 0.824 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 124 13.612 0.666 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.416 0.598 -8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.969 -0.769 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.863 0.613 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 124 13.070 2.766 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.544 2.871 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.099 2.978 -5.538 1.00 0.00 H new ATOM 288 N ASN A 125 11.097 -1.500 -3.973 1.00 0.00 N ATOM 289 CA ASN A 125 11.164 -2.925 -3.672 1.00 0.00 C ATOM 290 C ASN A 125 11.037 -3.756 -4.945 1.00 0.00 C ATOM 291 O ASN A 125 11.099 -3.225 -6.054 1.00 0.00 O ATOM 292 CB ASN A 125 10.061 -3.311 -2.685 1.00 0.00 C ATOM 293 CG ASN A 125 8.716 -3.492 -3.362 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.184 -2.562 -3.969 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.160 -4.694 -3.261 1.00 0.00 N ATOM 0 H ASN A 125 10.249 -1.039 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 125 12.134 -3.131 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.337 -4.236 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 125 9.978 -2.541 -1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.256 -4.876 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.637 -5.435 -2.748 1.00 0.00 H new ATOM 302 N ASP A 126 10.858 -5.062 -4.777 1.00 0.00 N ATOM 303 CA ASP A 126 10.720 -5.967 -5.912 1.00 0.00 C ATOM 304 C ASP A 126 9.531 -5.570 -6.782 1.00 0.00 C ATOM 305 O ASP A 126 9.596 -5.642 -8.009 1.00 0.00 O ATOM 306 CB ASP A 126 10.553 -7.407 -5.426 1.00 0.00 C ATOM 307 CG ASP A 126 11.812 -8.231 -5.612 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.459 -8.095 -6.672 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.152 -9.010 -4.698 1.00 0.00 O ATOM 0 H ASP A 126 10.805 -5.517 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 126 11.627 -5.897 -6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.278 -7.402 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.732 -7.877 -5.967 1.00 0.00 H new ATOM 314 N SER A 127 8.446 -5.152 -6.138 1.00 0.00 N ATOM 315 CA SER A 127 7.241 -4.748 -6.853 1.00 0.00 C ATOM 316 C SER A 127 6.307 -3.959 -5.941 1.00 0.00 C ATOM 317 O SER A 127 5.947 -4.417 -4.857 1.00 0.00 O ATOM 318 CB SER A 127 6.515 -5.976 -7.406 1.00 0.00 C ATOM 319 OG SER A 127 5.909 -5.691 -8.655 1.00 0.00 O ATOM 0 H SER A 127 8.377 -5.084 -5.123 1.00 0.00 H new ATOM 0 HA SER A 127 7.538 -4.106 -7.682 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.221 -6.799 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.756 -6.304 -6.696 1.00 0.00 H new ATOM 0 HG SER A 127 5.453 -6.492 -8.988 1.00 0.00 H new ATOM 325 N MET A 128 5.920 -2.769 -6.389 1.00 0.00 N ATOM 326 CA MET A 128 5.027 -1.915 -5.614 1.00 0.00 C ATOM 327 C MET A 128 3.598 -2.000 -6.143 1.00 0.00 C ATOM 328 O MET A 128 3.374 -2.383 -7.292 1.00 0.00 O ATOM 329 CB MET A 128 5.512 -0.465 -5.653 1.00 0.00 C ATOM 330 CG MET A 128 6.962 -0.320 -6.085 1.00 0.00 C ATOM 331 SD MET A 128 7.649 1.297 -5.682 1.00 0.00 S ATOM 332 CE MET A 128 7.508 1.290 -3.896 1.00 0.00 C ATOM 0 H MET A 128 6.210 -2.374 -7.284 1.00 0.00 H new ATOM 0 HA MET A 128 5.035 -2.266 -4.582 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.880 0.103 -6.336 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.390 -0.023 -4.664 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.559 -1.094 -5.604 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.035 -0.483 -7.160 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.065 2.131 -3.484 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.459 1.376 -3.614 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.914 0.358 -3.503 1.00 0.00 H new ATOM 342 N ILE A 129 2.637 -1.641 -5.299 1.00 0.00 N ATOM 343 CA ILE A 129 1.232 -1.677 -5.683 1.00 0.00 C ATOM 344 C ILE A 129 0.432 -0.612 -4.941 1.00 0.00 C ATOM 345 O ILE A 129 0.617 -0.407 -3.742 1.00 0.00 O ATOM 346 CB ILE A 129 0.607 -3.057 -5.407 1.00 0.00 C ATOM 347 CG1 ILE A 129 -0.884 -3.045 -5.750 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.818 -3.453 -3.953 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.548 -4.396 -5.608 1.00 0.00 C ATOM 0 H ILE A 129 2.806 -1.322 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 129 1.193 -1.478 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 129 1.100 -3.795 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.392 -2.330 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.010 -2.693 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.371 -4.431 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.886 -3.498 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.349 -2.714 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.603 -4.312 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.066 -5.110 -6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.454 -4.741 -4.578 1.00 0.00 H new ATOM 361 N GLN A 130 -0.459 0.061 -5.662 1.00 0.00 N ATOM 362 CA GLN A 130 -1.288 1.105 -5.070 1.00 0.00 C ATOM 363 C GLN A 130 -2.569 0.517 -4.487 1.00 0.00 C ATOM 364 O GLN A 130 -3.062 -0.511 -4.953 1.00 0.00 O ATOM 365 CB GLN A 130 -1.631 2.167 -6.116 1.00 0.00 C ATOM 366 CG GLN A 130 -2.494 3.296 -5.576 1.00 0.00 C ATOM 367 CD GLN A 130 -2.366 4.569 -6.389 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.623 5.706 -5.753 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.039 4.531 -7.576 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.625 -0.098 -6.656 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.722 1.569 -4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.706 2.586 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.149 1.691 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.537 2.979 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.214 3.500 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -1.851 3.635 -8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -1.956 5.396 -8.110 1.00 0.00 H new ATOM 378 N CYS A 131 -3.104 1.175 -3.464 1.00 0.00 N ATOM 379 CA CYS A 131 -4.327 0.718 -2.815 1.00 0.00 C ATOM 380 C CYS A 131 -5.522 0.848 -3.755 1.00 0.00 C ATOM 381 O CYS A 131 -5.546 1.715 -4.628 1.00 0.00 O ATOM 382 CB CYS A 131 -4.581 1.519 -1.536 1.00 0.00 C ATOM 383 SG CYS A 131 -5.987 0.916 -0.548 1.00 0.00 S ATOM 0 H CYS A 131 -2.709 2.027 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.201 -0.334 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.682 1.495 -0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.758 2.561 -1.802 1.00 0.00 H new ATOM 388 N GLU A 132 -6.511 -0.021 -3.569 1.00 0.00 N ATOM 389 CA GLU A 132 -7.708 -0.004 -4.401 1.00 0.00 C ATOM 390 C GLU A 132 -8.770 0.917 -3.807 1.00 0.00 C ATOM 391 O GLU A 132 -9.953 0.808 -4.130 1.00 0.00 O ATOM 392 CB GLU A 132 -8.272 -1.419 -4.551 1.00 0.00 C ATOM 393 CG GLU A 132 -7.785 -2.138 -5.798 1.00 0.00 C ATOM 394 CD GLU A 132 -8.059 -1.356 -7.067 1.00 0.00 C ATOM 395 OE1 GLU A 132 -9.195 -0.863 -7.228 1.00 0.00 O ATOM 396 OE2 GLU A 132 -7.136 -1.236 -7.901 1.00 0.00 O ATOM 0 H GLU A 132 -6.507 -0.745 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.430 0.375 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.999 -2.005 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.361 -1.367 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -6.714 -2.321 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.270 -3.112 -5.864 1.00 0.00 H new ATOM 403 N ASP A 133 -8.338 1.823 -2.937 1.00 0.00 N ATOM 404 CA ASP A 133 -9.250 2.765 -2.297 1.00 0.00 C ATOM 405 C ASP A 133 -8.926 4.198 -2.706 1.00 0.00 C ATOM 406 O ASP A 133 -7.892 4.743 -2.324 1.00 0.00 O ATOM 407 CB ASP A 133 -9.177 2.626 -0.776 1.00 0.00 C ATOM 408 CG ASP A 133 -10.226 3.460 -0.067 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.348 3.581 -0.601 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.924 3.992 1.022 1.00 0.00 O ATOM 0 H ASP A 133 -7.362 1.925 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.263 2.533 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.305 1.578 -0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.186 2.926 -0.434 1.00 0.00 H new ATOM 415 N GLN A 134 -9.818 4.802 -3.486 1.00 0.00 N ATOM 416 CA GLN A 134 -9.625 6.171 -3.949 1.00 0.00 C ATOM 417 C GLN A 134 -9.493 7.130 -2.770 1.00 0.00 C ATOM 418 O GLN A 134 -8.942 8.222 -2.905 1.00 0.00 O ATOM 419 CB GLN A 134 -10.790 6.599 -4.841 1.00 0.00 C ATOM 420 CG GLN A 134 -10.747 8.067 -5.236 1.00 0.00 C ATOM 421 CD GLN A 134 -11.755 8.905 -4.475 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.920 9.000 -4.863 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.312 9.520 -3.385 1.00 0.00 N ATOM 0 H GLN A 134 -10.681 4.365 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.702 6.206 -4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.789 5.988 -5.744 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.727 6.398 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.746 8.458 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -10.938 8.158 -6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -10.339 9.414 -3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.945 10.099 -2.833 1.00 0.00 H new ATOM 432 N ARG A 135 -10.002 6.714 -1.615 1.00 0.00 N ATOM 433 CA ARG A 135 -9.942 7.536 -0.413 1.00 0.00 C ATOM 434 C ARG A 135 -8.656 7.271 0.364 1.00 0.00 C ATOM 435 O ARG A 135 -8.508 7.704 1.508 1.00 0.00 O ATOM 436 CB ARG A 135 -11.155 7.263 0.479 1.00 0.00 C ATOM 437 CG ARG A 135 -12.326 8.195 0.217 1.00 0.00 C ATOM 438 CD ARG A 135 -13.502 7.884 1.130 1.00 0.00 C ATOM 439 NE ARG A 135 -14.007 9.079 1.799 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.650 10.057 1.171 1.00 0.00 C ATOM 441 NH1 ARG A 135 -14.866 9.981 -0.135 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.080 11.113 1.849 1.00 0.00 N ATOM 0 H ARG A 135 -10.461 5.812 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.952 8.582 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.481 6.234 0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.855 7.354 1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.011 9.228 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.638 8.105 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.303 7.429 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.197 7.152 1.878 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.858 9.168 2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.538 9.170 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.360 10.733 -0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.917 11.175 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.574 11.863 1.365 1.00 0.00 H new ATOM 456 N CYS A 136 -7.728 6.557 -0.264 1.00 0.00 N ATOM 457 CA CYS A 136 -6.455 6.233 0.367 1.00 0.00 C ATOM 458 C CYS A 136 -5.289 6.551 -0.565 1.00 0.00 C ATOM 459 O CYS A 136 -4.433 7.375 -0.245 1.00 0.00 O ATOM 460 CB CYS A 136 -6.419 4.755 0.761 1.00 0.00 C ATOM 461 SG CYS A 136 -5.758 4.446 2.430 1.00 0.00 S ATOM 0 H CYS A 136 -7.834 6.192 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.357 6.844 1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.429 4.349 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.814 4.211 0.036 1.00 0.00 H new ATOM 466 N GLN A 137 -5.264 5.891 -1.718 1.00 0.00 N ATOM 467 CA GLN A 137 -4.203 6.103 -2.696 1.00 0.00 C ATOM 468 C GLN A 137 -2.830 5.910 -2.061 1.00 0.00 C ATOM 469 O GLN A 137 -1.964 6.780 -2.153 1.00 0.00 O ATOM 470 CB GLN A 137 -4.308 7.506 -3.297 1.00 0.00 C ATOM 471 CG GLN A 137 -5.595 7.742 -4.071 1.00 0.00 C ATOM 472 CD GLN A 137 -5.419 7.558 -5.566 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.266 8.528 -6.308 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.439 6.308 -6.015 1.00 0.00 N ATOM 0 H GLN A 137 -5.965 5.206 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.322 5.365 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.236 8.242 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.459 7.672 -3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.362 7.055 -3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.954 8.752 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.569 5.534 -5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.325 6.122 -7.011 1.00 0.00 H new ATOM 483 N VAL A 138 -2.638 4.764 -1.415 1.00 0.00 N ATOM 484 CA VAL A 138 -1.370 4.457 -0.764 1.00 0.00 C ATOM 485 C VAL A 138 -0.668 3.292 -1.452 1.00 0.00 C ATOM 486 O VAL A 138 -1.280 2.260 -1.726 1.00 0.00 O ATOM 487 CB VAL A 138 -1.571 4.115 0.724 1.00 0.00 C ATOM 488 CG1 VAL A 138 -2.212 5.282 1.459 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.411 2.855 0.872 1.00 0.00 C ATOM 0 H VAL A 138 -3.344 4.033 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.749 5.349 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.594 3.928 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.346 5.021 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.568 6.158 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -3.182 5.504 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.543 2.628 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.386 3.011 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.907 2.022 0.382 1.00 0.00 H new ATOM 499 N TRP A 139 0.620 3.464 -1.727 1.00 0.00 N ATOM 500 CA TRP A 139 1.407 2.425 -2.383 1.00 0.00 C ATOM 501 C TRP A 139 2.151 1.577 -1.358 1.00 0.00 C ATOM 502 O TRP A 139 2.703 2.100 -0.391 1.00 0.00 O ATOM 503 CB TRP A 139 2.400 3.051 -3.363 1.00 0.00 C ATOM 504 CG TRP A 139 1.740 3.750 -4.513 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.816 4.754 -4.441 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.951 3.495 -5.906 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.441 5.138 -5.706 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.123 4.382 -6.622 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.760 2.606 -6.618 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.083 4.403 -8.014 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.718 2.627 -7.999 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.885 3.521 -8.685 1.00 0.00 C ATOM 0 H TRP A 139 1.142 4.312 -1.506 1.00 0.00 H new ATOM 0 HA TRP A 139 0.723 1.779 -2.933 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.029 3.762 -2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.058 2.272 -3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.436 5.182 -3.525 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.236 5.868 -5.927 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.407 1.915 -6.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.442 5.091 -8.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.338 1.943 -8.559 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.876 3.514 -9.765 1.00 0.00 H new ATOM 523 N GLN A 140 2.162 0.266 -1.577 1.00 0.00 N ATOM 524 CA GLN A 140 2.839 -0.654 -0.670 1.00 0.00 C ATOM 525 C GLN A 140 3.631 -1.700 -1.448 1.00 0.00 C ATOM 526 O GLN A 140 3.440 -1.870 -2.652 1.00 0.00 O ATOM 527 CB GLN A 140 1.824 -1.341 0.244 1.00 0.00 C ATOM 528 CG GLN A 140 1.146 -0.394 1.221 1.00 0.00 C ATOM 529 CD GLN A 140 0.708 -1.087 2.497 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.898 -2.293 2.659 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.118 -0.326 3.411 1.00 0.00 N ATOM 0 H GLN A 140 1.710 -0.183 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 140 3.535 -0.078 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.063 -1.823 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.327 -2.129 0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.830 0.417 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.278 0.057 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -0.019 0.669 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.198 -0.737 4.290 1.00 0.00 H new ATOM 540 N HIS A 141 4.523 -2.398 -0.751 1.00 0.00 N ATOM 541 CA HIS A 141 5.344 -3.428 -1.376 1.00 0.00 C ATOM 542 C HIS A 141 4.563 -4.731 -1.524 1.00 0.00 C ATOM 543 O HIS A 141 4.141 -5.329 -0.534 1.00 0.00 O ATOM 544 CB HIS A 141 6.610 -3.670 -0.554 1.00 0.00 C ATOM 545 CG HIS A 141 7.481 -2.458 -0.424 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.247 -2.197 0.692 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.705 -1.433 -1.280 1.00 0.00 C ATOM 548 CE1 HIS A 141 8.903 -1.064 0.519 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.592 -0.581 -0.671 1.00 0.00 N ATOM 0 H HIS A 141 4.695 -2.269 0.246 1.00 0.00 H new ATOM 0 HA HIS A 141 5.626 -3.079 -2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.327 -4.012 0.441 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.185 -4.473 -1.016 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.267 -1.309 -2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.578 -0.610 1.229 1.00 0.00 H new ATOM 0 HE2 HIS A 141 8.953 0.285 -1.072 1.00 0.00 H new ATOM 557 N LEU A 142 4.374 -5.164 -2.766 1.00 0.00 N ATOM 558 CA LEU A 142 3.643 -6.395 -3.044 1.00 0.00 C ATOM 559 C LEU A 142 4.248 -7.571 -2.283 1.00 0.00 C ATOM 560 O LEU A 142 3.531 -8.371 -1.684 1.00 0.00 O ATOM 561 CB LEU A 142 3.649 -6.687 -4.545 1.00 0.00 C ATOM 562 CG LEU A 142 2.426 -6.206 -5.327 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.582 -6.518 -6.807 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.157 -6.840 -4.777 1.00 0.00 C ATOM 0 H LEU A 142 4.717 -4.681 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 142 2.614 -6.261 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.537 -6.229 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.745 -7.764 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 142 2.347 -5.125 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.702 -6.168 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.469 -6.015 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.687 -7.594 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.297 -6.486 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.226 -7.925 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.037 -6.564 -3.729 1.00 0.00 H new ATOM 576 N ASN A 143 5.574 -7.668 -2.311 1.00 0.00 N ATOM 577 CA ASN A 143 6.276 -8.745 -1.622 1.00 0.00 C ATOM 578 C ASN A 143 6.002 -8.701 -0.122 1.00 0.00 C ATOM 579 O ASN A 143 6.134 -9.708 0.574 1.00 0.00 O ATOM 580 CB ASN A 143 7.781 -8.648 -1.880 1.00 0.00 C ATOM 581 CG ASN A 143 8.192 -9.334 -3.169 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.007 -8.647 -4.290 1.00 0.00 O flip ATOM 583 ND2 ASN A 143 8.670 -10.468 -3.156 1.00 0.00 N flip ATOM 0 H ASN A 143 6.183 -7.014 -2.803 1.00 0.00 H new ATOM 0 HA ASN A 143 5.907 -9.693 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.073 -7.599 -1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.320 -9.096 -1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.794 -10.959 -2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 143 8.942 -10.917 -4.031 1.00 0.00 H new ATOM 590 N CYS A 144 5.619 -7.528 0.370 1.00 0.00 N ATOM 591 CA CYS A 144 5.326 -7.351 1.787 1.00 0.00 C ATOM 592 C CYS A 144 3.873 -7.705 2.090 1.00 0.00 C ATOM 593 O CYS A 144 3.558 -8.215 3.166 1.00 0.00 O ATOM 594 CB CYS A 144 5.611 -5.909 2.212 1.00 0.00 C ATOM 595 SG CYS A 144 7.377 -5.545 2.468 1.00 0.00 S ATOM 0 H CYS A 144 5.504 -6.685 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 144 5.971 -8.023 2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.218 -5.233 1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.070 -5.700 3.135 1.00 0.00 H new ATOM 600 N VAL A 145 2.991 -7.430 1.134 1.00 0.00 N ATOM 601 CA VAL A 145 1.571 -7.720 1.298 1.00 0.00 C ATOM 602 C VAL A 145 1.192 -9.019 0.596 1.00 0.00 C ATOM 603 O VAL A 145 0.011 -9.315 0.409 1.00 0.00 O ATOM 604 CB VAL A 145 0.698 -6.578 0.746 1.00 0.00 C ATOM 605 CG1 VAL A 145 0.814 -5.343 1.628 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.087 -6.256 -0.689 1.00 0.00 C ATOM 0 H VAL A 145 3.235 -7.007 0.238 1.00 0.00 H new ATOM 0 HA VAL A 145 1.390 -7.821 2.368 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.342 -6.904 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.190 -4.546 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.483 -5.585 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 145 1.852 -5.012 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.460 -5.447 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.133 -5.950 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 145 0.948 -7.140 -1.311 1.00 0.00 H new ATOM 616 N LEU A 146 2.200 -9.793 0.210 1.00 0.00 N ATOM 617 CA LEU A 146 1.973 -11.063 -0.471 1.00 0.00 C ATOM 618 C LEU A 146 1.994 -12.224 0.519 1.00 0.00 C ATOM 619 O LEU A 146 3.061 -12.701 0.908 1.00 0.00 O ATOM 620 CB LEU A 146 3.032 -11.281 -1.553 1.00 0.00 C ATOM 621 CG LEU A 146 2.556 -11.131 -2.998 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.594 -10.391 -3.828 1.00 0.00 C ATOM 623 CD2 LEU A 146 2.257 -12.494 -3.605 1.00 0.00 C ATOM 0 H LEU A 146 3.183 -9.563 0.357 1.00 0.00 H new ATOM 0 HA LEU A 146 0.989 -11.026 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.845 -10.575 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.447 -12.281 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 146 1.636 -10.546 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.238 -10.294 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 146 3.758 -9.400 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.531 -10.949 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.919 -12.368 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.160 -13.104 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.477 -12.987 -3.025 1.00 0.00 H new ATOM 635 N ILE A 147 0.811 -12.674 0.921 1.00 0.00 N ATOM 636 CA ILE A 147 0.694 -13.780 1.863 1.00 0.00 C ATOM 637 C ILE A 147 0.131 -15.024 1.183 1.00 0.00 C ATOM 638 O ILE A 147 -0.981 -15.023 0.656 1.00 0.00 O ATOM 639 CB ILE A 147 -0.204 -13.410 3.058 1.00 0.00 C ATOM 640 CG1 ILE A 147 -0.114 -11.911 3.347 1.00 0.00 C ATOM 641 CG2 ILE A 147 0.190 -14.217 4.286 1.00 0.00 C ATOM 642 CD1 ILE A 147 1.290 -11.438 3.653 1.00 0.00 C ATOM 0 H ILE A 147 -0.081 -12.290 0.609 1.00 0.00 H new ATOM 0 HA ILE A 147 1.699 -13.992 2.227 1.00 0.00 H new ATOM 0 HB ILE A 147 -1.237 -13.650 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -0.495 -11.360 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -0.761 -11.672 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -0.454 -13.944 5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 147 0.078 -15.280 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 147 1.228 -14.005 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 147 1.278 -10.366 3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.667 -11.962 4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 147 1.937 -11.645 2.801 1.00 0.00 H new ATOM 654 N PRO A 148 0.916 -16.111 1.196 1.00 0.00 N ATOM 655 CA PRO A 148 0.515 -17.383 0.587 1.00 0.00 C ATOM 656 C PRO A 148 -0.611 -18.066 1.357 1.00 0.00 C ATOM 657 O PRO A 148 -0.702 -17.944 2.578 1.00 0.00 O ATOM 658 CB PRO A 148 1.792 -18.224 0.650 1.00 0.00 C ATOM 659 CG PRO A 148 2.565 -17.655 1.789 1.00 0.00 C ATOM 660 CD PRO A 148 2.254 -16.184 1.806 1.00 0.00 C ATOM 0 HA PRO A 148 0.127 -17.247 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 148 1.564 -19.277 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 148 2.355 -18.160 -0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 148 2.278 -18.126 2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 148 3.634 -17.827 1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 148 2.256 -15.785 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 148 2.987 -15.612 1.237 1.00 0.00 H new ATOM 668 N ASP A 149 -1.464 -18.783 0.635 1.00 0.00 N ATOM 669 CA ASP A 149 -2.583 -19.487 1.251 1.00 0.00 C ATOM 670 C ASP A 149 -2.106 -20.360 2.407 1.00 0.00 C ATOM 671 O ASP A 149 -2.843 -20.600 3.364 1.00 0.00 O ATOM 672 CB ASP A 149 -3.308 -20.345 0.213 1.00 0.00 C ATOM 673 CG ASP A 149 -4.661 -19.776 -0.166 1.00 0.00 C ATOM 674 OD1 ASP A 149 -5.568 -19.780 0.694 1.00 0.00 O ATOM 675 OD2 ASP A 149 -4.814 -19.327 -1.320 1.00 0.00 O ATOM 0 H ASP A 149 -1.402 -18.892 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 149 -3.276 -18.743 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -2.689 -20.429 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -3.438 -21.353 0.606 1.00 0.00 H new ATOM 680 N LYS A 150 -0.869 -20.835 2.312 1.00 0.00 N ATOM 681 CA LYS A 150 -0.291 -21.682 3.349 1.00 0.00 C ATOM 682 C LYS A 150 1.148 -21.273 3.646 1.00 0.00 C ATOM 683 O LYS A 150 1.806 -20.605 2.849 1.00 0.00 O ATOM 684 CB LYS A 150 -0.338 -23.150 2.921 1.00 0.00 C ATOM 685 CG LYS A 150 -1.391 -23.964 3.654 1.00 0.00 C ATOM 686 CD LYS A 150 -2.672 -24.077 2.844 1.00 0.00 C ATOM 687 CE LYS A 150 -3.581 -25.169 3.389 1.00 0.00 C ATOM 688 NZ LYS A 150 -3.136 -26.524 2.962 1.00 0.00 N ATOM 0 H LYS A 150 -0.246 -20.648 1.526 1.00 0.00 H new ATOM 0 HA LYS A 150 -0.880 -21.556 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -0.532 -23.201 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 150 0.640 -23.601 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -1.002 -24.961 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -1.607 -23.499 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.199 -23.123 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.428 -24.291 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.597 -25.118 4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.601 -24.997 3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.780 -27.240 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.144 -26.581 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.172 -26.699 3.310 1.00 0.00 H new ATOM 702 N PRO A 151 1.650 -21.685 4.820 1.00 0.00 N ATOM 703 CA PRO A 151 3.017 -21.375 5.248 1.00 0.00 C ATOM 704 C PRO A 151 4.065 -22.120 4.428 1.00 0.00 C ATOM 705 O PRO A 151 4.088 -23.350 4.403 1.00 0.00 O ATOM 706 CB PRO A 151 3.047 -21.843 6.705 1.00 0.00 C ATOM 707 CG PRO A 151 1.997 -22.897 6.787 1.00 0.00 C ATOM 708 CD PRO A 151 0.922 -22.485 5.819 1.00 0.00 C ATOM 0 HA PRO A 151 3.254 -20.319 5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 151 4.027 -22.239 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 151 2.837 -21.021 7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 151 2.403 -23.874 6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 151 1.601 -22.976 7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 151 0.437 -23.349 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 151 0.142 -21.903 6.309 1.00 0.00 H new ATOM 716 N GLY A 152 4.931 -21.366 3.757 1.00 0.00 N ATOM 717 CA GLY A 152 5.969 -21.973 2.945 1.00 0.00 C ATOM 718 C GLY A 152 5.565 -22.101 1.489 1.00 0.00 C ATOM 719 O GLY A 152 6.416 -22.264 0.615 1.00 0.00 O ATOM 0 H GLY A 152 4.932 -20.346 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 152 6.878 -21.375 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 152 6.206 -22.960 3.342 1.00 0.00 H new ATOM 723 N GLU A 153 4.264 -22.029 1.229 1.00 0.00 N ATOM 724 CA GLU A 153 3.750 -22.141 -0.131 1.00 0.00 C ATOM 725 C GLU A 153 4.092 -20.897 -0.946 1.00 0.00 C ATOM 726 O GLU A 153 4.824 -20.021 -0.485 1.00 0.00 O ATOM 727 CB GLU A 153 2.235 -22.351 -0.112 1.00 0.00 C ATOM 728 CG GLU A 153 1.795 -23.666 -0.734 1.00 0.00 C ATOM 729 CD GLU A 153 1.600 -23.565 -2.235 1.00 0.00 C ATOM 730 OE1 GLU A 153 1.097 -22.519 -2.698 1.00 0.00 O ATOM 731 OE2 GLU A 153 1.949 -24.530 -2.945 1.00 0.00 O ATOM 0 H GLU A 153 3.547 -21.894 1.942 1.00 0.00 H new ATOM 0 HA GLU A 153 4.223 -23.003 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 153 1.884 -22.311 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 153 1.756 -21.529 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 153 2.539 -24.433 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 153 0.862 -23.989 -0.271 1.00 0.00 H new ATOM 738 N SER A 154 3.556 -20.826 -2.161 1.00 0.00 N ATOM 739 CA SER A 154 3.807 -19.692 -3.042 1.00 0.00 C ATOM 740 C SER A 154 2.839 -18.551 -2.748 1.00 0.00 C ATOM 741 O SER A 154 1.622 -18.728 -2.791 1.00 0.00 O ATOM 742 CB SER A 154 3.681 -20.119 -4.506 1.00 0.00 C ATOM 743 OG SER A 154 2.975 -21.343 -4.621 1.00 0.00 O ATOM 0 H SER A 154 2.945 -21.541 -2.557 1.00 0.00 H new ATOM 0 HA SER A 154 4.822 -19.340 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 154 3.165 -19.343 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 154 4.673 -20.225 -4.944 1.00 0.00 H new ATOM 0 HG SER A 154 2.906 -21.593 -5.566 1.00 0.00 H new ATOM 749 N ALA A 155 3.389 -17.379 -2.449 1.00 0.00 N ATOM 750 CA ALA A 155 2.576 -16.207 -2.149 1.00 0.00 C ATOM 751 C ALA A 155 1.529 -15.974 -3.233 1.00 0.00 C ATOM 752 O ALA A 155 1.632 -16.514 -4.334 1.00 0.00 O ATOM 753 CB ALA A 155 3.459 -14.977 -1.992 1.00 0.00 C ATOM 0 H ALA A 155 4.395 -17.216 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 155 2.055 -16.388 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.838 -14.110 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 155 4.165 -15.138 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 155 4.007 -14.802 -2.918 1.00 0.00 H new ATOM 759 N GLU A 156 0.522 -15.167 -2.913 1.00 0.00 N ATOM 760 CA GLU A 156 -0.545 -14.865 -3.860 1.00 0.00 C ATOM 761 C GLU A 156 -0.729 -13.358 -4.010 1.00 0.00 C ATOM 762 O GLU A 156 -0.954 -12.648 -3.029 1.00 0.00 O ATOM 763 CB GLU A 156 -1.857 -15.508 -3.406 1.00 0.00 C ATOM 764 CG GLU A 156 -2.207 -15.218 -1.957 1.00 0.00 C ATOM 765 CD GLU A 156 -3.690 -14.973 -1.752 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.232 -14.046 -2.390 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.308 -15.708 -0.954 1.00 0.00 O ATOM 0 H GLU A 156 0.423 -14.711 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 156 -0.263 -15.277 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -2.666 -15.153 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.791 -16.587 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -1.892 -16.057 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -1.648 -14.345 -1.620 1.00 0.00 H new ATOM 774 N VAL A 157 -0.631 -12.875 -5.244 1.00 0.00 N ATOM 775 CA VAL A 157 -0.786 -11.453 -5.524 1.00 0.00 C ATOM 776 C VAL A 157 -2.123 -11.168 -6.200 1.00 0.00 C ATOM 777 O VAL A 157 -2.257 -11.241 -7.421 1.00 0.00 O ATOM 778 CB VAL A 157 0.351 -10.929 -6.420 1.00 0.00 C ATOM 779 CG1 VAL A 157 0.488 -11.789 -7.667 1.00 0.00 C ATOM 780 CG2 VAL A 157 0.110 -9.473 -6.791 1.00 0.00 C ATOM 0 H VAL A 157 -0.445 -13.448 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.749 -10.937 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 157 1.286 -10.988 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 157 1.297 -11.403 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 157 0.711 -12.816 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.445 -11.765 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 157 0.924 -9.119 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -0.833 -9.386 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 157 0.067 -8.869 -5.885 1.00 0.00 H new ATOM 790 N PRO A 158 -3.138 -10.837 -5.388 1.00 0.00 N ATOM 791 CA PRO A 158 -4.483 -10.534 -5.885 1.00 0.00 C ATOM 792 C PRO A 158 -4.535 -9.215 -6.650 1.00 0.00 C ATOM 793 O PRO A 158 -3.662 -8.357 -6.516 1.00 0.00 O ATOM 794 CB PRO A 158 -5.322 -10.444 -4.608 1.00 0.00 C ATOM 795 CG PRO A 158 -4.349 -10.077 -3.541 1.00 0.00 C ATOM 796 CD PRO A 158 -3.050 -10.731 -3.922 1.00 0.00 C ATOM 0 HA PRO A 158 -4.835 -11.286 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.108 -9.694 -4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.812 -11.393 -4.388 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.236 -8.995 -3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.690 -10.425 -2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.193 -10.132 -3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.940 -11.709 -3.454 1.00 0.00 H new ATOM 804 N PRO A 159 -5.581 -9.048 -7.472 1.00 0.00 N ATOM 805 CA PRO A 159 -5.772 -7.836 -8.274 1.00 0.00 C ATOM 806 C PRO A 159 -6.126 -6.624 -7.418 1.00 0.00 C ATOM 807 O PRO A 159 -5.585 -5.535 -7.612 1.00 0.00 O ATOM 808 CB PRO A 159 -6.940 -8.199 -9.194 1.00 0.00 C ATOM 809 CG PRO A 159 -7.690 -9.254 -8.456 1.00 0.00 C ATOM 810 CD PRO A 159 -6.660 -10.029 -7.682 1.00 0.00 C ATOM 0 HA PRO A 159 -4.864 -7.553 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -7.570 -7.332 -9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -6.586 -8.566 -10.157 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.429 -8.812 -7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.230 -9.903 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.060 -10.395 -6.736 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.310 -10.899 -8.238 1.00 0.00 H new ATOM 818 N VAL A 160 -7.036 -6.821 -6.469 1.00 0.00 N ATOM 819 CA VAL A 160 -7.460 -5.744 -5.582 1.00 0.00 C ATOM 820 C VAL A 160 -6.658 -5.752 -4.285 1.00 0.00 C ATOM 821 O VAL A 160 -6.739 -6.695 -3.498 1.00 0.00 O ATOM 822 CB VAL A 160 -8.959 -5.852 -5.246 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.292 -7.244 -4.729 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.355 -4.790 -4.232 1.00 0.00 C ATOM 0 H VAL A 160 -7.493 -7.716 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.280 -4.808 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.531 -5.683 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.355 -7.301 -4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.047 -7.984 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -8.713 -7.446 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.417 -4.881 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.777 -4.926 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.155 -3.801 -4.644 1.00 0.00 H new ATOM 834 N PHE A 161 -5.883 -4.695 -4.069 1.00 0.00 N ATOM 835 CA PHE A 161 -5.064 -4.580 -2.868 1.00 0.00 C ATOM 836 C PHE A 161 -5.629 -3.522 -1.924 1.00 0.00 C ATOM 837 O PHE A 161 -6.026 -2.439 -2.354 1.00 0.00 O ATOM 838 CB PHE A 161 -3.622 -4.230 -3.239 1.00 0.00 C ATOM 839 CG PHE A 161 -2.843 -3.619 -2.109 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.483 -4.379 -1.008 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.472 -2.285 -2.148 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.766 -3.821 0.033 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.755 -1.721 -1.109 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.402 -2.490 -0.017 1.00 0.00 C ATOM 0 H PHE A 161 -5.805 -3.905 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.077 -5.543 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.112 -5.133 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.630 -3.537 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.766 -5.420 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.746 -1.679 -2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.491 -4.425 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.471 -0.680 -1.151 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.843 -2.051 0.796 1.00 0.00 H new ATOM 854 N TYR A 162 -5.663 -3.845 -0.636 1.00 0.00 N ATOM 855 CA TYR A 162 -6.182 -2.925 0.369 1.00 0.00 C ATOM 856 C TYR A 162 -5.219 -2.804 1.546 1.00 0.00 C ATOM 857 O TYR A 162 -5.067 -3.734 2.338 1.00 0.00 O ATOM 858 CB TYR A 162 -7.551 -3.395 0.863 1.00 0.00 C ATOM 859 CG TYR A 162 -8.706 -2.601 0.293 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.871 -2.465 -1.080 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.630 -1.986 1.128 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.923 -1.740 -1.604 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.687 -1.261 0.612 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.829 -1.141 -0.754 1.00 0.00 C ATOM 865 OH TYR A 162 -11.879 -0.418 -1.272 1.00 0.00 O ATOM 0 H TYR A 162 -5.337 -4.737 -0.263 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.287 -1.944 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.680 -4.446 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.578 -3.329 1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.165 -2.934 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.520 -2.076 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -10.036 -1.643 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.398 -0.791 1.275 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.425 -0.063 -0.539 1.00 0.00 H new ATOM 875 N CYS A 163 -4.570 -1.649 1.654 1.00 0.00 N ATOM 876 CA CYS A 163 -3.621 -1.403 2.734 1.00 0.00 C ATOM 877 C CYS A 163 -4.213 -1.807 4.081 1.00 0.00 C ATOM 878 O CYS A 163 -5.431 -1.870 4.241 1.00 0.00 O ATOM 879 CB CYS A 163 -3.221 0.073 2.762 1.00 0.00 C ATOM 880 SG CYS A 163 -4.596 1.210 3.131 1.00 0.00 S ATOM 0 H CYS A 163 -4.684 -0.869 1.007 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.734 -2.010 2.551 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.439 0.212 3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.792 0.340 1.796 1.00 0.00 H new ATOM 885 N GLU A 164 -3.340 -2.080 5.046 1.00 0.00 N ATOM 886 CA GLU A 164 -3.777 -2.479 6.379 1.00 0.00 C ATOM 887 C GLU A 164 -4.803 -1.494 6.933 1.00 0.00 C ATOM 888 O GLU A 164 -5.802 -1.892 7.533 1.00 0.00 O ATOM 889 CB GLU A 164 -2.579 -2.570 7.326 1.00 0.00 C ATOM 890 CG GLU A 164 -1.762 -1.291 7.400 1.00 0.00 C ATOM 891 CD GLU A 164 -0.443 -1.482 8.123 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.457 -2.010 9.255 1.00 0.00 O ATOM 893 OE2 GLU A 164 0.604 -1.103 7.557 1.00 0.00 O ATOM 0 H GLU A 164 -2.328 -2.032 4.930 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.246 -3.460 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -2.935 -2.822 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.932 -3.386 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.569 -0.929 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.343 -0.522 7.909 1.00 0.00 H new ATOM 900 N LEU A 165 -4.549 -0.206 6.727 1.00 0.00 N ATOM 901 CA LEU A 165 -5.449 0.837 7.206 1.00 0.00 C ATOM 902 C LEU A 165 -6.885 0.557 6.774 1.00 0.00 C ATOM 903 O LEU A 165 -7.807 0.588 7.589 1.00 0.00 O ATOM 904 CB LEU A 165 -5.004 2.203 6.680 1.00 0.00 C ATOM 905 CG LEU A 165 -3.516 2.525 6.826 1.00 0.00 C ATOM 906 CD1 LEU A 165 -2.943 3.012 5.505 1.00 0.00 C ATOM 907 CD2 LEU A 165 -3.300 3.563 7.918 1.00 0.00 C ATOM 0 H LEU A 165 -3.727 0.141 6.232 1.00 0.00 H new ATOM 0 HA LEU A 165 -5.411 0.844 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -5.267 2.267 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -5.575 2.973 7.198 1.00 0.00 H new ATOM 0 HG LEU A 165 -2.993 1.612 7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -1.883 3.236 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -3.064 2.237 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -3.470 3.913 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -2.236 3.780 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -3.836 4.477 7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -3.673 3.176 8.866 1.00 0.00 H new ATOM 919 N CYS A 166 -7.068 0.283 5.486 1.00 0.00 N ATOM 920 CA CYS A 166 -8.390 -0.004 4.945 1.00 0.00 C ATOM 921 C CYS A 166 -8.865 -1.389 5.376 1.00 0.00 C ATOM 922 O CYS A 166 -9.986 -1.549 5.859 1.00 0.00 O ATOM 923 CB CYS A 166 -8.371 0.088 3.418 1.00 0.00 C ATOM 924 SG CYS A 166 -8.121 1.776 2.778 1.00 0.00 S ATOM 0 H CYS A 166 -6.316 0.254 4.798 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.085 0.738 5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.578 -0.555 3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.312 -0.301 3.029 1.00 0.00 H new ATOM 929 N ARG A 167 -8.005 -2.386 5.197 1.00 0.00 N ATOM 930 CA ARG A 167 -8.336 -3.757 5.566 1.00 0.00 C ATOM 931 C ARG A 167 -8.871 -3.821 6.994 1.00 0.00 C ATOM 932 O ARG A 167 -9.840 -4.528 7.274 1.00 0.00 O ATOM 933 CB ARG A 167 -7.106 -4.655 5.430 1.00 0.00 C ATOM 934 CG ARG A 167 -7.115 -5.515 4.176 1.00 0.00 C ATOM 935 CD ARG A 167 -7.034 -6.995 4.515 1.00 0.00 C ATOM 936 NE ARG A 167 -5.680 -7.399 4.884 1.00 0.00 N ATOM 937 CZ ARG A 167 -5.332 -8.654 5.143 1.00 0.00 C ATOM 938 NH1 ARG A 167 -6.234 -9.624 5.072 1.00 0.00 N ATOM 939 NH2 ARG A 167 -4.080 -8.943 5.473 1.00 0.00 N ATOM 0 H ARG A 167 -7.073 -2.270 4.798 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.113 -4.112 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.211 -4.033 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -7.041 -5.303 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -8.024 -5.320 3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -6.274 -5.240 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -7.715 -7.216 5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -7.367 -7.582 3.659 1.00 0.00 H new ATOM 0 HE ARG A 167 -4.962 -6.677 4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -7.198 -9.407 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -5.964 -10.587 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -3.383 -8.201 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -3.815 -9.908 5.672 1.00 0.00 H new ATOM 953 N LEU A 168 -8.233 -3.080 7.893 1.00 0.00 N ATOM 954 CA LEU A 168 -8.644 -3.053 9.292 1.00 0.00 C ATOM 955 C LEU A 168 -9.925 -2.245 9.468 1.00 0.00 C ATOM 956 O LEU A 168 -10.861 -2.684 10.138 1.00 0.00 O ATOM 957 CB LEU A 168 -7.531 -2.461 10.160 1.00 0.00 C ATOM 958 CG LEU A 168 -6.602 -3.468 10.839 1.00 0.00 C ATOM 959 CD1 LEU A 168 -5.353 -2.774 11.360 1.00 0.00 C ATOM 960 CD2 LEU A 168 -7.327 -4.185 11.968 1.00 0.00 C ATOM 0 H LEU A 168 -7.429 -2.490 7.678 1.00 0.00 H new ATOM 0 HA LEU A 168 -8.837 -4.078 9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -6.926 -1.800 9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -7.989 -1.842 10.931 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.299 -4.210 10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -4.704 -3.506 11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -4.823 -2.308 10.530 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -5.636 -2.010 12.084 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -6.651 -4.898 12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -7.660 -3.456 12.707 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -8.191 -4.715 11.567 1.00 0.00 H new ATOM 972 N SER A 169 -9.962 -1.064 8.861 1.00 0.00 N ATOM 973 CA SER A 169 -11.129 -0.193 8.951 1.00 0.00 C ATOM 974 C SER A 169 -12.357 -0.866 8.346 1.00 0.00 C ATOM 975 O SER A 169 -13.491 -0.477 8.624 1.00 0.00 O ATOM 976 CB SER A 169 -10.858 1.134 8.240 1.00 0.00 C ATOM 977 OG SER A 169 -10.349 2.101 9.141 1.00 0.00 O ATOM 0 H SER A 169 -9.197 -0.687 8.301 1.00 0.00 H new ATOM 0 HA SER A 169 -11.325 0.002 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 169 -10.146 0.977 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 169 -11.779 1.503 7.788 1.00 0.00 H new ATOM 0 HG SER A 169 -10.183 2.939 8.661 1.00 0.00 H new ATOM 983 N ARG A 170 -12.121 -1.879 7.518 1.00 0.00 N ATOM 984 CA ARG A 170 -13.207 -2.606 6.871 1.00 0.00 C ATOM 985 C ARG A 170 -13.464 -3.936 7.574 1.00 0.00 C ATOM 986 O ARG A 170 -14.577 -4.459 7.546 1.00 0.00 O ATOM 987 CB ARG A 170 -12.880 -2.850 5.397 1.00 0.00 C ATOM 988 CG ARG A 170 -13.313 -1.717 4.481 1.00 0.00 C ATOM 989 CD ARG A 170 -12.380 -0.521 4.595 1.00 0.00 C ATOM 990 NE ARG A 170 -12.935 0.669 3.955 1.00 0.00 N ATOM 991 CZ ARG A 170 -13.960 1.357 4.446 1.00 0.00 C ATOM 992 NH1 ARG A 170 -14.538 0.976 5.576 1.00 0.00 N ATOM 993 NH2 ARG A 170 -14.408 2.429 3.805 1.00 0.00 N ATOM 0 H ARG A 170 -11.188 -2.215 7.280 1.00 0.00 H new ATOM 0 HA ARG A 170 -14.109 -1.998 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -11.806 -3.000 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -13.364 -3.772 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -13.331 -2.068 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -14.329 -1.413 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -12.187 -0.310 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -11.421 -0.765 4.138 1.00 0.00 H new ATOM 0 HE ARG A 170 -12.513 0.989 3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -14.196 0.152 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -15.325 1.506 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -13.965 2.725 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -15.195 2.957 4.182 1.00 0.00 H new ATOM 1007 N ALA A 171 -12.425 -4.478 8.202 1.00 0.00 N ATOM 1008 CA ALA A 171 -12.539 -5.745 8.912 1.00 0.00 C ATOM 1009 C ALA A 171 -12.713 -5.522 10.410 1.00 0.00 C ATOM 1010 O ALA A 171 -12.397 -6.394 11.219 1.00 0.00 O ATOM 1011 CB ALA A 171 -11.317 -6.611 8.645 1.00 0.00 C ATOM 0 H ALA A 171 -11.496 -4.059 8.233 1.00 0.00 H new ATOM 0 HA ALA A 171 -13.425 -6.261 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -11.415 -7.555 9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -11.237 -6.808 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -10.421 -6.092 8.986 1.00 0.00 H new ATOM 1017 N ASP A 172 -13.217 -4.347 10.773 1.00 0.00 N ATOM 1018 CA ASP A 172 -13.434 -4.009 12.175 1.00 0.00 C ATOM 1019 C ASP A 172 -12.136 -4.121 12.968 1.00 0.00 C ATOM 1020 O ASP A 172 -11.829 -5.201 13.471 1.00 0.00 O ATOM 1021 CB ASP A 172 -14.499 -4.923 12.784 1.00 0.00 C ATOM 1022 CG ASP A 172 -15.900 -4.371 12.617 1.00 0.00 C ATOM 1023 OD1 ASP A 172 -16.445 -4.463 11.497 1.00 0.00 O ATOM 1024 OD2 ASP A 172 -16.453 -3.847 13.607 1.00 0.00 O ATOM 0 H ASP A 172 -13.483 -3.613 10.116 1.00 0.00 H new ATOM 0 HA ASP A 172 -13.781 -2.977 12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -14.441 -5.906 12.316 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -14.291 -5.062 13.845 1.00 0.00 H new TER 1029 ASP A 172 HETATM 1030 ZN ZN A 901 7.705 -3.146 2.448 1.00 0.00 ZN HETATM 1031 ZN ZN A 902 -5.960 1.940 1.670 1.00 0.00 ZN