USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 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= -2.32 F(o=-3.5,f=-2.8) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.434 K(o=-2.8,f=-7.7!) USER MOD Set 2.1: A 125 ASN : amide:sc= -4.73! C(o=-5.9!,f=-8.1!) USER MOD Set 2.2: A 128 MET CE :methyl 170:sc= -1.13 (180deg=-1.48!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.284 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -46:sc= 0.964 USER MOD Single : A 121 SER OG : rot 40:sc= -0.611 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 163:sc= -0.213 (180deg=-0.848) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.047) USER MOD Single : A 140 GLN : amide:sc= -0.876 K(o=-0.88,f=-2.8!) USER MOD Single : A 143 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.0051) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 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 13.958 19.616 4.965 1.00 0.00 N ATOM 2 CA GLY A 105 12.533 19.872 4.873 1.00 0.00 C ATOM 3 C GLY A 105 11.926 19.320 3.598 1.00 0.00 C ATOM 4 O GLY A 105 11.285 20.049 2.842 1.00 0.00 O ATOM 0 HA2 GLY A 105 12.031 19.428 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 105 12.356 20.947 4.920 1.00 0.00 H new ATOM 8 N SER A 106 12.129 18.028 3.359 1.00 0.00 N ATOM 9 CA SER A 106 11.601 17.380 2.164 1.00 0.00 C ATOM 10 C SER A 106 10.668 16.232 2.535 1.00 0.00 C ATOM 11 O SER A 106 11.046 15.327 3.279 1.00 0.00 O ATOM 12 CB SER A 106 12.746 16.861 1.292 1.00 0.00 C ATOM 13 OG SER A 106 13.840 17.762 1.296 1.00 0.00 O ATOM 0 H SER A 106 12.655 17.410 3.977 1.00 0.00 H new ATOM 0 HA SER A 106 11.031 18.120 1.601 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.072 15.887 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.393 16.717 0.271 1.00 0.00 H new ATOM 0 HG SER A 106 14.559 17.406 0.733 1.00 0.00 H new ATOM 19 N ASP A 107 9.448 16.276 2.012 1.00 0.00 N ATOM 20 CA ASP A 107 8.460 15.240 2.287 1.00 0.00 C ATOM 21 C ASP A 107 8.363 14.259 1.122 1.00 0.00 C ATOM 22 O ASP A 107 8.465 13.047 1.308 1.00 0.00 O ATOM 23 CB ASP A 107 7.092 15.868 2.557 1.00 0.00 C ATOM 24 CG ASP A 107 6.938 16.324 3.994 1.00 0.00 C ATOM 25 OD1 ASP A 107 7.422 17.428 4.321 1.00 0.00 O ATOM 26 OD2 ASP A 107 6.333 15.578 4.792 1.00 0.00 O ATOM 0 H ASP A 107 9.119 17.019 1.395 1.00 0.00 H new ATOM 0 HA ASP A 107 8.781 14.693 3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.948 16.719 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.311 15.145 2.323 1.00 0.00 H new ATOM 31 N SER A 108 8.163 14.793 -0.079 1.00 0.00 N ATOM 32 CA SER A 108 8.047 13.965 -1.274 1.00 0.00 C ATOM 33 C SER A 108 6.831 13.047 -1.182 1.00 0.00 C ATOM 34 O SER A 108 6.785 11.994 -1.818 1.00 0.00 O ATOM 35 CB SER A 108 9.315 13.132 -1.468 1.00 0.00 C ATOM 36 OG SER A 108 10.416 13.714 -0.792 1.00 0.00 O ATOM 0 H SER A 108 8.078 15.795 -0.250 1.00 0.00 H new ATOM 0 HA SER A 108 7.919 14.624 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.150 12.121 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.540 13.049 -2.531 1.00 0.00 H new ATOM 0 HG SER A 108 11.214 13.162 -0.930 1.00 0.00 H new ATOM 42 N PHE A 109 5.849 13.455 -0.386 1.00 0.00 N ATOM 43 CA PHE A 109 4.632 12.670 -0.210 1.00 0.00 C ATOM 44 C PHE A 109 3.525 13.168 -1.134 1.00 0.00 C ATOM 45 O PHE A 109 2.770 14.074 -0.782 1.00 0.00 O ATOM 46 CB PHE A 109 4.165 12.735 1.246 1.00 0.00 C ATOM 47 CG PHE A 109 4.838 11.730 2.137 1.00 0.00 C ATOM 48 CD1 PHE A 109 4.736 10.374 1.874 1.00 0.00 C ATOM 49 CD2 PHE A 109 5.572 12.142 3.237 1.00 0.00 C ATOM 50 CE1 PHE A 109 5.353 9.447 2.693 1.00 0.00 C ATOM 51 CE2 PHE A 109 6.192 11.220 4.059 1.00 0.00 C ATOM 52 CZ PHE A 109 6.083 9.871 3.786 1.00 0.00 C ATOM 0 H PHE A 109 5.871 14.324 0.147 1.00 0.00 H new ATOM 0 HA PHE A 109 4.856 11.635 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.352 13.736 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.087 12.576 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.168 10.037 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.661 13.196 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.264 8.392 2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.761 11.554 4.914 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.568 9.149 4.426 1.00 0.00 H new ATOM 62 N GLN A 110 3.436 12.569 -2.317 1.00 0.00 N ATOM 63 CA GLN A 110 2.422 12.952 -3.292 1.00 0.00 C ATOM 64 C GLN A 110 1.020 12.737 -2.733 1.00 0.00 C ATOM 65 O GLN A 110 0.795 11.898 -1.860 1.00 0.00 O ATOM 66 CB GLN A 110 2.598 12.151 -4.583 1.00 0.00 C ATOM 67 CG GLN A 110 3.984 12.277 -5.194 1.00 0.00 C ATOM 68 CD GLN A 110 4.151 13.546 -6.006 1.00 0.00 C ATOM 69 OE1 GLN A 110 4.237 14.680 -5.321 1.00 0.00 O flip ATOM 70 NE2 GLN A 110 4.201 13.508 -7.236 1.00 0.00 N flip ATOM 0 H GLN A 110 4.053 11.817 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 110 2.547 14.013 -3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.394 11.100 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.858 12.484 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.730 12.258 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.175 11.414 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.131 12.614 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.313 14.371 -7.769 1.00 0.00 H new ATOM 79 N PRO A 111 0.053 13.512 -3.246 1.00 0.00 N ATOM 80 CA PRO A 111 -1.345 13.424 -2.812 1.00 0.00 C ATOM 81 C PRO A 111 -2.011 12.128 -3.260 1.00 0.00 C ATOM 82 O PRO A 111 -2.958 11.657 -2.631 1.00 0.00 O ATOM 83 CB PRO A 111 -2.004 14.627 -3.493 1.00 0.00 C ATOM 84 CG PRO A 111 -1.155 14.898 -4.687 1.00 0.00 C ATOM 85 CD PRO A 111 0.248 14.533 -4.289 1.00 0.00 C ATOM 0 HA PRO A 111 -1.435 13.429 -1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -3.032 14.405 -3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.038 15.489 -2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.484 14.307 -5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.217 15.946 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.816 14.142 -5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 111 0.795 15.396 -3.909 1.00 0.00 H new ATOM 93 N GLU A 112 -1.509 11.556 -4.350 1.00 0.00 N ATOM 94 CA GLU A 112 -2.057 10.313 -4.881 1.00 0.00 C ATOM 95 C GLU A 112 -1.020 9.194 -4.826 1.00 0.00 C ATOM 96 O GLU A 112 -1.360 8.014 -4.910 1.00 0.00 O ATOM 97 CB GLU A 112 -2.531 10.513 -6.322 1.00 0.00 C ATOM 98 CG GLU A 112 -3.971 10.986 -6.428 1.00 0.00 C ATOM 99 CD GLU A 112 -4.083 12.493 -6.547 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.895 13.015 -7.666 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.360 13.151 -5.522 1.00 0.00 O ATOM 0 H GLU A 112 -0.725 11.933 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.908 10.028 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.882 11.239 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.425 9.573 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.439 10.521 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.524 10.653 -5.550 1.00 0.00 H new ATOM 108 N ALA A 113 0.245 9.574 -4.684 1.00 0.00 N ATOM 109 CA ALA A 113 1.331 8.604 -4.616 1.00 0.00 C ATOM 110 C ALA A 113 2.014 8.639 -3.253 1.00 0.00 C ATOM 111 O ALA A 113 3.033 9.306 -3.073 1.00 0.00 O ATOM 112 CB ALA A 113 2.343 8.867 -5.722 1.00 0.00 C ATOM 0 H ALA A 113 0.543 10.547 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 113 0.906 7.610 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.149 8.135 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.852 8.784 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.754 9.870 -5.608 1.00 0.00 H new ATOM 118 N LYS A 114 1.446 7.916 -2.294 1.00 0.00 N ATOM 119 CA LYS A 114 1.999 7.862 -0.946 1.00 0.00 C ATOM 120 C LYS A 114 2.413 6.440 -0.583 1.00 0.00 C ATOM 121 O LYS A 114 1.567 5.580 -0.336 1.00 0.00 O ATOM 122 CB LYS A 114 0.977 8.381 0.068 1.00 0.00 C ATOM 123 CG LYS A 114 1.383 8.150 1.514 1.00 0.00 C ATOM 124 CD LYS A 114 0.652 9.092 2.455 1.00 0.00 C ATOM 125 CE LYS A 114 1.550 9.546 3.596 1.00 0.00 C ATOM 126 NZ LYS A 114 0.817 10.397 4.574 1.00 0.00 N ATOM 0 H LYS A 114 0.602 7.359 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 114 2.884 8.497 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.828 9.449 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.018 7.895 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.170 7.118 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.459 8.292 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.299 9.961 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.229 8.593 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.957 8.673 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.396 10.103 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.463 10.686 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.450 11.242 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.025 9.858 4.978 1.00 0.00 H new ATOM 140 N VAL A 115 3.720 6.198 -0.552 1.00 0.00 N ATOM 141 CA VAL A 115 4.246 4.880 -0.218 1.00 0.00 C ATOM 142 C VAL A 115 4.286 4.672 1.292 1.00 0.00 C ATOM 143 O VAL A 115 5.127 5.243 1.986 1.00 0.00 O ATOM 144 CB VAL A 115 5.661 4.678 -0.790 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.106 3.234 -0.621 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.707 5.090 -2.254 1.00 0.00 C ATOM 0 H VAL A 115 4.434 6.898 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 115 3.574 4.148 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 115 6.352 5.313 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.108 3.112 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.114 2.977 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.415 2.576 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.714 4.941 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.004 4.483 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.435 6.142 -2.345 1.00 0.00 H new ATOM 156 N ARG A 116 3.371 3.848 1.795 1.00 0.00 N ATOM 157 CA ARG A 116 3.302 3.565 3.223 1.00 0.00 C ATOM 158 C ARG A 116 3.288 2.060 3.478 1.00 0.00 C ATOM 159 O ARG A 116 2.229 1.433 3.496 1.00 0.00 O ATOM 160 CB ARG A 116 2.054 4.208 3.832 1.00 0.00 C ATOM 161 CG ARG A 116 2.345 5.475 4.619 1.00 0.00 C ATOM 162 CD ARG A 116 2.404 5.201 6.114 1.00 0.00 C ATOM 163 NE ARG A 116 1.172 5.593 6.792 1.00 0.00 N ATOM 164 CZ ARG A 116 0.864 5.223 8.030 1.00 0.00 C ATOM 165 NH1 ARG A 116 1.694 4.455 8.722 1.00 0.00 N ATOM 166 NH2 ARG A 116 -0.277 5.621 8.579 1.00 0.00 N ATOM 0 H ARG A 116 2.668 3.366 1.235 1.00 0.00 H new ATOM 0 HA ARG A 116 4.188 3.989 3.696 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.349 4.440 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.567 3.486 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.292 5.901 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.573 6.217 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.587 4.140 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.245 5.742 6.549 1.00 0.00 H new ATOM 0 HE ARG A 116 0.511 6.184 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.572 4.147 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 116 1.455 4.173 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.919 6.212 8.050 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.512 5.336 9.530 1.00 0.00 H new ATOM 180 N CYS A 117 4.471 1.488 3.675 1.00 0.00 N ATOM 181 CA CYS A 117 4.596 0.058 3.928 1.00 0.00 C ATOM 182 C CYS A 117 4.944 -0.207 5.390 1.00 0.00 C ATOM 183 O CYS A 117 5.472 0.665 6.081 1.00 0.00 O ATOM 184 CB CYS A 117 5.666 -0.550 3.019 1.00 0.00 C ATOM 185 SG CYS A 117 5.600 -2.367 2.906 1.00 0.00 S ATOM 0 H CYS A 117 5.357 1.993 3.664 1.00 0.00 H new ATOM 0 HA CYS A 117 3.636 -0.410 3.711 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.559 -0.130 2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.649 -0.255 3.385 1.00 0.00 H new ATOM 190 N ILE A 118 4.645 -1.416 5.854 1.00 0.00 N ATOM 191 CA ILE A 118 4.928 -1.796 7.233 1.00 0.00 C ATOM 192 C ILE A 118 6.417 -1.679 7.541 1.00 0.00 C ATOM 193 O ILE A 118 6.814 -1.557 8.700 1.00 0.00 O ATOM 194 CB ILE A 118 4.466 -3.236 7.525 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.009 -4.195 6.464 1.00 0.00 C ATOM 196 CG2 ILE A 118 2.947 -3.304 7.582 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.050 -5.637 6.916 1.00 0.00 C ATOM 0 H ILE A 118 4.207 -2.149 5.296 1.00 0.00 H new ATOM 0 HA ILE A 118 4.373 -1.108 7.871 1.00 0.00 H new ATOM 0 HB ILE A 118 4.860 -3.538 8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.391 -4.121 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.015 -3.882 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.636 -4.328 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.583 -2.647 8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.532 -2.985 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.446 -6.259 6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.691 -5.725 7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.043 -5.968 7.168 1.00 0.00 H new ATOM 209 N CYS A 119 7.236 -1.715 6.496 1.00 0.00 N ATOM 210 CA CYS A 119 8.682 -1.612 6.653 1.00 0.00 C ATOM 211 C CYS A 119 9.119 -0.151 6.714 1.00 0.00 C ATOM 212 O CYS A 119 10.301 0.147 6.892 1.00 0.00 O ATOM 213 CB CYS A 119 9.394 -2.321 5.499 1.00 0.00 C ATOM 214 SG CYS A 119 9.047 -1.605 3.860 1.00 0.00 S ATOM 0 H CYS A 119 6.923 -1.815 5.530 1.00 0.00 H new ATOM 0 HA CYS A 119 8.956 -2.095 7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.469 -2.292 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.100 -3.371 5.495 1.00 0.00 H new ATOM 219 N SER A 120 8.158 0.755 6.567 1.00 0.00 N ATOM 220 CA SER A 120 8.444 2.185 6.602 1.00 0.00 C ATOM 221 C SER A 120 9.531 2.547 5.594 1.00 0.00 C ATOM 222 O SER A 120 10.379 3.399 5.857 1.00 0.00 O ATOM 223 CB SER A 120 8.876 2.606 8.008 1.00 0.00 C ATOM 224 OG SER A 120 10.256 2.358 8.212 1.00 0.00 O ATOM 0 H SER A 120 7.175 0.525 6.423 1.00 0.00 H new ATOM 0 HA SER A 120 7.532 2.719 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.668 3.666 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.292 2.062 8.750 1.00 0.00 H new ATOM 0 HG SER A 120 10.479 1.462 7.884 1.00 0.00 H new ATOM 230 N SER A 121 9.497 1.892 4.437 1.00 0.00 N ATOM 231 CA SER A 121 10.481 2.141 3.390 1.00 0.00 C ATOM 232 C SER A 121 9.796 2.515 2.079 1.00 0.00 C ATOM 233 O SER A 121 9.075 1.709 1.489 1.00 0.00 O ATOM 234 CB SER A 121 11.362 0.907 3.184 1.00 0.00 C ATOM 235 OG SER A 121 12.547 1.238 2.482 1.00 0.00 O ATOM 0 H SER A 121 8.800 1.186 4.202 1.00 0.00 H new ATOM 0 HA SER A 121 11.106 2.976 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.617 0.473 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.808 0.149 2.631 1.00 0.00 H new ATOM 0 HG SER A 121 12.886 2.101 2.801 1.00 0.00 H new ATOM 241 N THR A 122 10.026 3.744 1.627 1.00 0.00 N ATOM 242 CA THR A 122 9.431 4.226 0.387 1.00 0.00 C ATOM 243 C THR A 122 10.375 4.021 -0.792 1.00 0.00 C ATOM 244 O THR A 122 10.369 4.798 -1.746 1.00 0.00 O ATOM 245 CB THR A 122 9.065 5.719 0.484 1.00 0.00 C ATOM 246 OG1 THR A 122 10.254 6.508 0.615 1.00 0.00 O ATOM 247 CG2 THR A 122 8.147 5.976 1.669 1.00 0.00 C ATOM 0 H THR A 122 10.620 4.424 2.102 1.00 0.00 H new ATOM 0 HA THR A 122 8.522 3.646 0.226 1.00 0.00 H new ATOM 0 HB THR A 122 8.541 6.001 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.013 7.456 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 122 7.903 7.037 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.231 5.397 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.649 5.678 2.589 1.00 0.00 H new ATOM 255 N MET A 123 11.185 2.970 -0.720 1.00 0.00 N ATOM 256 CA MET A 123 12.134 2.662 -1.783 1.00 0.00 C ATOM 257 C MET A 123 11.486 1.788 -2.853 1.00 0.00 C ATOM 258 O MET A 123 10.311 1.436 -2.753 1.00 0.00 O ATOM 259 CB MET A 123 13.365 1.959 -1.210 1.00 0.00 C ATOM 260 CG MET A 123 13.907 2.614 0.050 1.00 0.00 C ATOM 261 SD MET A 123 15.286 1.701 0.770 1.00 0.00 S ATOM 262 CE MET A 123 16.388 1.588 -0.638 1.00 0.00 C ATOM 0 H MET A 123 11.203 2.317 0.064 1.00 0.00 H new ATOM 0 HA MET A 123 12.443 3.600 -2.243 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.112 0.922 -0.990 1.00 0.00 H new ATOM 0 HB3 MET A 123 14.149 1.942 -1.967 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.230 3.629 -0.183 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.107 2.695 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.390 1.329 -0.296 1.00 0.00 H new ATOM 0 HE2 MET A 123 16.028 0.819 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 123 16.417 2.547 -1.155 1.00 0.00 H new ATOM 272 N VAL A 124 12.261 1.441 -3.876 1.00 0.00 N ATOM 273 CA VAL A 124 11.763 0.607 -4.964 1.00 0.00 C ATOM 274 C VAL A 124 11.997 -0.871 -4.674 1.00 0.00 C ATOM 275 O VAL A 124 13.006 -1.443 -5.086 1.00 0.00 O ATOM 276 CB VAL A 124 12.435 0.970 -6.301 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.770 0.230 -7.451 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.392 2.473 -6.528 1.00 0.00 C ATOM 0 H VAL A 124 13.236 1.724 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 124 10.692 0.793 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 124 13.480 0.662 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.258 0.499 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.858 -0.845 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.716 0.504 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.871 2.711 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.355 2.808 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.919 2.978 -5.719 1.00 0.00 H new ATOM 288 N ASN A 125 11.057 -1.485 -3.963 1.00 0.00 N ATOM 289 CA ASN A 125 11.161 -2.898 -3.617 1.00 0.00 C ATOM 290 C ASN A 125 11.023 -3.773 -4.860 1.00 0.00 C ATOM 291 O ASN A 125 11.045 -3.277 -5.986 1.00 0.00 O ATOM 292 CB ASN A 125 10.089 -3.274 -2.593 1.00 0.00 C ATOM 293 CG ASN A 125 8.736 -3.515 -3.234 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.163 -2.621 -3.857 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.218 -4.729 -3.084 1.00 0.00 N ATOM 0 H ASN A 125 10.215 -1.026 -3.615 1.00 0.00 H new ATOM 0 HA ASN A 125 12.145 -3.069 -3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.400 -4.172 -2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.001 -2.478 -1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.310 -4.950 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.728 -5.440 -2.559 1.00 0.00 H new ATOM 302 N ASP A 126 10.879 -5.076 -4.645 1.00 0.00 N ATOM 303 CA ASP A 126 10.735 -6.021 -5.747 1.00 0.00 C ATOM 304 C ASP A 126 9.530 -5.667 -6.612 1.00 0.00 C ATOM 305 O ASP A 126 9.577 -5.780 -7.837 1.00 0.00 O ATOM 306 CB ASP A 126 10.593 -7.446 -5.210 1.00 0.00 C ATOM 307 CG ASP A 126 11.778 -8.321 -5.569 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.767 -8.321 -4.806 1.00 0.00 O ATOM 309 OD2 ASP A 126 11.717 -9.005 -6.612 1.00 0.00 O ATOM 0 H ASP A 126 10.859 -5.502 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 126 11.632 -5.962 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.484 -7.413 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.682 -7.892 -5.608 1.00 0.00 H new ATOM 314 N SER A 127 8.449 -5.241 -5.966 1.00 0.00 N ATOM 315 CA SER A 127 7.229 -4.876 -6.676 1.00 0.00 C ATOM 316 C SER A 127 6.299 -4.065 -5.777 1.00 0.00 C ATOM 317 O SER A 127 5.945 -4.499 -4.682 1.00 0.00 O ATOM 318 CB SER A 127 6.509 -6.130 -7.174 1.00 0.00 C ATOM 319 OG SER A 127 5.721 -5.846 -8.318 1.00 0.00 O ATOM 0 H SER A 127 8.393 -5.140 -4.953 1.00 0.00 H new ATOM 0 HA SER A 127 7.506 -4.261 -7.532 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.240 -6.901 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.875 -6.528 -6.382 1.00 0.00 H new ATOM 0 HG SER A 127 5.273 -6.664 -8.618 1.00 0.00 H new ATOM 325 N MET A 128 5.910 -2.886 -6.250 1.00 0.00 N ATOM 326 CA MET A 128 5.021 -2.015 -5.490 1.00 0.00 C ATOM 327 C MET A 128 3.587 -2.121 -6.002 1.00 0.00 C ATOM 328 O MET A 128 3.352 -2.556 -7.130 1.00 0.00 O ATOM 329 CB MET A 128 5.499 -0.564 -5.575 1.00 0.00 C ATOM 330 CG MET A 128 6.947 -0.426 -6.014 1.00 0.00 C ATOM 331 SD MET A 128 7.652 1.178 -5.588 1.00 0.00 S ATOM 332 CE MET A 128 7.529 1.139 -3.802 1.00 0.00 C ATOM 0 H MET A 128 6.196 -2.512 -7.155 1.00 0.00 H new ATOM 0 HA MET A 128 5.041 -2.336 -4.449 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.863 -0.021 -6.274 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.377 -0.092 -4.600 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.540 -1.214 -5.550 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.011 -0.572 -7.092 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.082 1.978 -3.381 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.482 1.211 -3.508 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.948 0.204 -3.429 1.00 0.00 H new ATOM 342 N ILE A 129 2.635 -1.722 -5.166 1.00 0.00 N ATOM 343 CA ILE A 129 1.225 -1.772 -5.535 1.00 0.00 C ATOM 344 C ILE A 129 0.434 -0.675 -4.832 1.00 0.00 C ATOM 345 O ILE A 129 0.590 -0.457 -3.631 1.00 0.00 O ATOM 346 CB ILE A 129 0.602 -3.138 -5.194 1.00 0.00 C ATOM 347 CG1 ILE A 129 -0.897 -3.131 -5.501 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.848 -3.482 -3.732 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.529 -4.504 -5.457 1.00 0.00 C ATOM 0 H ILE A 129 2.814 -1.361 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 129 1.175 -1.618 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 129 1.076 -3.901 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.403 -2.484 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.055 -2.699 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.402 -4.450 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.921 -3.524 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.398 -2.718 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.592 -4.423 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.049 -5.149 -6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.402 -4.931 -4.462 1.00 0.00 H new ATOM 361 N GLN A 130 -0.417 0.011 -5.589 1.00 0.00 N ATOM 362 CA GLN A 130 -1.235 1.085 -5.037 1.00 0.00 C ATOM 363 C GLN A 130 -2.531 0.536 -4.452 1.00 0.00 C ATOM 364 O GLN A 130 -3.088 -0.440 -4.955 1.00 0.00 O ATOM 365 CB GLN A 130 -1.547 2.123 -6.117 1.00 0.00 C ATOM 366 CG GLN A 130 -2.484 3.224 -5.649 1.00 0.00 C ATOM 367 CD GLN A 130 -2.235 4.542 -6.357 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.512 5.644 -5.670 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -1.799 4.568 -7.508 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.558 -0.158 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.671 1.563 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.614 2.572 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.991 1.620 -6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.515 2.914 -5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.365 3.365 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -1.600 3.696 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -1.637 5.462 -7.972 1.00 0.00 H new ATOM 378 N CYS A 131 -3.008 1.170 -3.386 1.00 0.00 N ATOM 379 CA CYS A 131 -4.240 0.746 -2.730 1.00 0.00 C ATOM 380 C CYS A 131 -5.434 0.892 -3.669 1.00 0.00 C ATOM 381 O CYS A 131 -5.447 1.759 -4.542 1.00 0.00 O ATOM 382 CB CYS A 131 -4.473 1.564 -1.459 1.00 0.00 C ATOM 383 SG CYS A 131 -5.908 1.019 -0.477 1.00 0.00 S ATOM 0 H CYS A 131 -2.560 1.980 -2.958 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.137 -0.306 -2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.579 1.512 -0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.610 2.610 -1.733 1.00 0.00 H new ATOM 388 N GLU A 132 -6.434 0.037 -3.482 1.00 0.00 N ATOM 389 CA GLU A 132 -7.632 0.071 -4.313 1.00 0.00 C ATOM 390 C GLU A 132 -8.693 0.981 -3.701 1.00 0.00 C ATOM 391 O GLU A 132 -9.883 0.845 -3.987 1.00 0.00 O ATOM 392 CB GLU A 132 -8.196 -1.341 -4.491 1.00 0.00 C ATOM 393 CG GLU A 132 -7.868 -1.962 -5.838 1.00 0.00 C ATOM 394 CD GLU A 132 -8.612 -1.301 -6.982 1.00 0.00 C ATOM 395 OE1 GLU A 132 -9.644 -0.649 -6.722 1.00 0.00 O ATOM 396 OE2 GLU A 132 -8.161 -1.436 -8.139 1.00 0.00 O ATOM 0 H GLU A 132 -6.439 -0.687 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.355 0.470 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.805 -1.982 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.279 -1.309 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -6.795 -1.888 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.115 -3.023 -5.814 1.00 0.00 H new ATOM 403 N ASP A 133 -8.254 1.907 -2.856 1.00 0.00 N ATOM 404 CA ASP A 133 -9.164 2.841 -2.203 1.00 0.00 C ATOM 405 C ASP A 133 -8.886 4.273 -2.649 1.00 0.00 C ATOM 406 O ASP A 133 -7.852 4.847 -2.312 1.00 0.00 O ATOM 407 CB ASP A 133 -9.035 2.732 -0.683 1.00 0.00 C ATOM 408 CG ASP A 133 -10.026 3.618 0.046 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.092 3.916 -0.532 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.735 4.015 1.194 1.00 0.00 O ATOM 0 H ASP A 133 -7.273 2.031 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.182 2.581 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.188 1.696 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.022 3.004 -0.387 1.00 0.00 H new ATOM 415 N GLN A 134 -9.816 4.841 -3.410 1.00 0.00 N ATOM 416 CA GLN A 134 -9.670 6.206 -3.903 1.00 0.00 C ATOM 417 C GLN A 134 -9.504 7.187 -2.748 1.00 0.00 C ATOM 418 O GLN A 134 -8.953 8.275 -2.919 1.00 0.00 O ATOM 419 CB GLN A 134 -10.882 6.597 -4.750 1.00 0.00 C ATOM 420 CG GLN A 134 -12.209 6.421 -4.031 1.00 0.00 C ATOM 421 CD GLN A 134 -13.194 5.582 -4.821 1.00 0.00 C ATOM 422 OE1 GLN A 134 -14.350 5.967 -5.003 1.00 0.00 O ATOM 423 NE2 GLN A 134 -12.741 4.428 -5.297 1.00 0.00 N ATOM 0 H GLN A 134 -10.678 4.378 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.774 6.248 -4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.780 7.638 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -10.888 5.996 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.034 5.953 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -12.646 7.401 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -11.776 4.148 -5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -13.358 3.822 -5.837 1.00 0.00 H new ATOM 432 N ARG A 135 -9.984 6.796 -1.572 1.00 0.00 N ATOM 433 CA ARG A 135 -9.890 7.642 -0.388 1.00 0.00 C ATOM 434 C ARG A 135 -8.623 7.331 0.404 1.00 0.00 C ATOM 435 O ARG A 135 -8.498 7.710 1.569 1.00 0.00 O ATOM 436 CB ARG A 135 -11.120 7.451 0.501 1.00 0.00 C ATOM 437 CG ARG A 135 -12.217 8.473 0.251 1.00 0.00 C ATOM 438 CD ARG A 135 -13.071 8.092 -0.948 1.00 0.00 C ATOM 439 NE ARG A 135 -14.348 8.799 -0.958 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.478 10.079 -1.291 1.00 0.00 C ATOM 441 NH1 ARG A 135 -13.413 10.787 -1.641 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.674 10.652 -1.275 1.00 0.00 N ATOM 0 H ARG A 135 -10.442 5.899 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.846 8.680 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.523 6.451 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.815 7.506 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.847 8.556 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -11.771 9.454 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.527 8.314 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.252 7.017 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 135 -15.187 8.282 -0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -12.492 10.349 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -13.515 11.769 -1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.496 10.110 -1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.772 11.635 -1.531 1.00 0.00 H new ATOM 456 N CYS A 136 -7.687 6.639 -0.236 1.00 0.00 N ATOM 457 CA CYS A 136 -6.430 6.275 0.407 1.00 0.00 C ATOM 458 C CYS A 136 -5.247 6.551 -0.516 1.00 0.00 C ATOM 459 O CYS A 136 -4.377 7.363 -0.201 1.00 0.00 O ATOM 460 CB CYS A 136 -6.446 4.799 0.808 1.00 0.00 C ATOM 461 SG CYS A 136 -5.664 4.456 2.417 1.00 0.00 S ATOM 0 H CYS A 136 -7.775 6.319 -1.200 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.319 6.886 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.479 4.453 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.937 4.219 0.038 1.00 0.00 H new ATOM 466 N GLN A 137 -5.222 5.868 -1.656 1.00 0.00 N ATOM 467 CA GLN A 137 -4.145 6.039 -2.624 1.00 0.00 C ATOM 468 C GLN A 137 -2.783 5.868 -1.960 1.00 0.00 C ATOM 469 O GLN A 137 -1.960 6.784 -1.963 1.00 0.00 O ATOM 470 CB GLN A 137 -4.236 7.417 -3.282 1.00 0.00 C ATOM 471 CG GLN A 137 -5.474 7.598 -4.146 1.00 0.00 C ATOM 472 CD GLN A 137 -5.210 7.313 -5.611 1.00 0.00 C ATOM 473 OE1 GLN A 137 -4.884 8.216 -6.382 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.350 6.052 -6.004 1.00 0.00 N ATOM 0 H GLN A 137 -5.934 5.192 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.254 5.271 -3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.230 8.182 -2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.349 7.577 -3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.262 6.936 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.841 8.619 -4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.622 5.335 -5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.186 5.800 -6.979 1.00 0.00 H new ATOM 483 N VAL A 138 -2.551 4.690 -1.390 1.00 0.00 N ATOM 484 CA VAL A 138 -1.288 4.399 -0.722 1.00 0.00 C ATOM 485 C VAL A 138 -0.587 3.209 -1.366 1.00 0.00 C ATOM 486 O VAL A 138 -1.177 2.141 -1.527 1.00 0.00 O ATOM 487 CB VAL A 138 -1.500 4.107 0.776 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.810 5.391 1.532 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.610 3.085 0.967 1.00 0.00 C ATOM 0 H VAL A 138 -3.221 3.921 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.663 5.286 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.578 3.689 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.957 5.165 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.979 6.088 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.717 5.841 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.746 2.890 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.538 3.473 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.342 2.158 0.460 1.00 0.00 H new ATOM 499 N TRP A 139 0.675 3.400 -1.732 1.00 0.00 N ATOM 500 CA TRP A 139 1.458 2.341 -2.359 1.00 0.00 C ATOM 501 C TRP A 139 2.177 1.501 -1.309 1.00 0.00 C ATOM 502 O TRP A 139 2.682 2.030 -0.319 1.00 0.00 O ATOM 503 CB TRP A 139 2.474 2.939 -3.334 1.00 0.00 C ATOM 504 CG TRP A 139 1.839 3.655 -4.488 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.940 4.681 -4.420 1.00 0.00 C ATOM 506 CD2 TRP A 139 2.053 3.397 -5.879 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.583 5.077 -5.687 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.253 4.305 -6.600 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.845 2.489 -6.588 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.222 4.329 -7.991 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.813 2.514 -7.969 1.00 0.00 C ATOM 512 CH2 TRP A 139 2.007 3.429 -8.659 1.00 0.00 C ATOM 0 H TRP A 139 1.178 4.278 -1.606 1.00 0.00 H new ATOM 0 HA TRP A 139 0.774 1.694 -2.909 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.119 3.633 -2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.112 2.142 -3.717 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.565 5.117 -3.506 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.074 5.824 -5.911 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.471 1.781 -6.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.600 5.033 -8.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.420 1.816 -8.526 1.00 0.00 H new ATOM 0 HH2 TRP A 139 2.005 3.424 -9.739 1.00 0.00 H new ATOM 523 N GLN A 140 2.219 0.192 -1.532 1.00 0.00 N ATOM 524 CA GLN A 140 2.877 -0.720 -0.604 1.00 0.00 C ATOM 525 C GLN A 140 3.685 -1.773 -1.355 1.00 0.00 C ATOM 526 O GLN A 140 3.518 -1.954 -2.561 1.00 0.00 O ATOM 527 CB GLN A 140 1.842 -1.400 0.295 1.00 0.00 C ATOM 528 CG GLN A 140 1.142 -0.445 1.247 1.00 0.00 C ATOM 529 CD GLN A 140 0.653 -1.131 2.508 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.730 -2.353 2.633 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.146 -0.346 3.451 1.00 0.00 N ATOM 0 H GLN A 140 1.805 -0.261 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 140 3.560 -0.138 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.095 -1.889 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.334 -2.182 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.827 0.359 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.296 0.015 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.101 0.663 3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.199 -0.751 4.321 1.00 0.00 H new ATOM 540 N HIS A 141 4.563 -2.464 -0.634 1.00 0.00 N ATOM 541 CA HIS A 141 5.398 -3.499 -1.233 1.00 0.00 C ATOM 542 C HIS A 141 4.631 -4.812 -1.354 1.00 0.00 C ATOM 543 O HIS A 141 4.281 -5.434 -0.350 1.00 0.00 O ATOM 544 CB HIS A 141 6.663 -3.708 -0.400 1.00 0.00 C ATOM 545 CG HIS A 141 7.544 -2.499 -0.334 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.418 -2.260 0.705 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.683 -1.458 -1.188 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.056 -1.124 0.489 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.629 -0.617 -0.654 1.00 0.00 N ATOM 0 H HIS A 141 4.714 -2.326 0.365 1.00 0.00 H new ATOM 0 HA HIS A 141 5.681 -3.171 -2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.378 -3.995 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.231 -4.539 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.150 -1.315 -2.116 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.800 -0.684 1.136 1.00 0.00 H new ATOM 0 HE2 HIS A 141 8.950 0.257 -1.072 1.00 0.00 H new ATOM 557 N LEU A 142 4.373 -5.229 -2.589 1.00 0.00 N ATOM 558 CA LEU A 142 3.647 -6.469 -2.842 1.00 0.00 C ATOM 559 C LEU A 142 4.284 -7.635 -2.094 1.00 0.00 C ATOM 560 O LEU A 142 3.589 -8.465 -1.510 1.00 0.00 O ATOM 561 CB LEU A 142 3.615 -6.767 -4.342 1.00 0.00 C ATOM 562 CG LEU A 142 2.308 -6.436 -5.064 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.416 -6.770 -6.544 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.144 -7.183 -4.430 1.00 0.00 C ATOM 0 H LEU A 142 4.656 -4.727 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 142 2.626 -6.344 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.422 -6.211 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.829 -7.826 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 142 2.123 -5.366 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.477 -6.528 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.223 -6.189 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.626 -7.833 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.222 -6.935 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.322 -8.256 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.053 -6.893 -3.383 1.00 0.00 H new ATOM 576 N ASN A 143 5.612 -7.691 -2.115 1.00 0.00 N ATOM 577 CA ASN A 143 6.344 -8.755 -1.437 1.00 0.00 C ATOM 578 C ASN A 143 6.091 -8.716 0.067 1.00 0.00 C ATOM 579 O ASN A 143 6.156 -9.742 0.745 1.00 0.00 O ATOM 580 CB ASN A 143 7.843 -8.630 -1.717 1.00 0.00 C ATOM 581 CG ASN A 143 8.245 -9.289 -3.022 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.963 -10.289 -3.030 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.781 -8.730 -4.134 1.00 0.00 N ATOM 0 H ASN A 143 6.203 -7.012 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 143 5.988 -9.710 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.118 -7.576 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.402 -9.082 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.017 -9.129 -5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.189 -7.901 -4.079 1.00 0.00 H new ATOM 590 N CYS A 144 5.801 -7.527 0.582 1.00 0.00 N ATOM 591 CA CYS A 144 5.537 -7.353 2.005 1.00 0.00 C ATOM 592 C CYS A 144 4.102 -7.743 2.344 1.00 0.00 C ATOM 593 O CYS A 144 3.828 -8.272 3.422 1.00 0.00 O ATOM 594 CB CYS A 144 5.795 -5.903 2.420 1.00 0.00 C ATOM 595 SG CYS A 144 7.559 -5.482 2.595 1.00 0.00 S ATOM 0 H CYS A 144 5.743 -6.668 0.035 1.00 0.00 H new ATOM 0 HA CYS A 144 6.212 -8.007 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.346 -5.239 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.291 -5.712 3.368 1.00 0.00 H new ATOM 600 N VAL A 145 3.187 -7.477 1.417 1.00 0.00 N ATOM 601 CA VAL A 145 1.780 -7.801 1.615 1.00 0.00 C ATOM 602 C VAL A 145 1.414 -9.110 0.924 1.00 0.00 C ATOM 603 O VAL A 145 0.236 -9.427 0.754 1.00 0.00 O ATOM 604 CB VAL A 145 0.866 -6.680 1.086 1.00 0.00 C ATOM 605 CG1 VAL A 145 0.972 -5.444 1.966 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.212 -6.349 -0.358 1.00 0.00 C ATOM 0 H VAL A 145 3.396 -7.037 0.521 1.00 0.00 H new ATOM 0 HA VAL A 145 1.628 -7.907 2.689 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.166 -7.030 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.319 -4.663 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.671 -5.695 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.002 -5.087 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.557 -5.555 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.249 -6.018 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.079 -7.236 -0.977 1.00 0.00 H new ATOM 616 N LEU A 146 2.431 -9.867 0.527 1.00 0.00 N ATOM 617 CA LEU A 146 2.217 -11.143 -0.146 1.00 0.00 C ATOM 618 C LEU A 146 2.378 -12.306 0.827 1.00 0.00 C ATOM 619 O LEU A 146 3.385 -12.407 1.528 1.00 0.00 O ATOM 620 CB LEU A 146 3.197 -11.299 -1.310 1.00 0.00 C ATOM 621 CG LEU A 146 2.648 -10.969 -2.699 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.764 -10.986 -3.732 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.548 -11.948 -3.083 1.00 0.00 C ATOM 0 H LEU A 146 3.412 -9.619 0.660 1.00 0.00 H new ATOM 0 HA LEU A 146 1.198 -11.155 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.059 -10.660 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.558 -12.327 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 146 2.222 -9.966 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.354 -10.749 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.518 -10.246 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.220 -11.976 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.169 -11.699 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.950 -12.961 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.737 -11.886 -2.358 1.00 0.00 H new ATOM 635 N ILE A 147 1.379 -13.182 0.864 1.00 0.00 N ATOM 636 CA ILE A 147 1.412 -14.340 1.749 1.00 0.00 C ATOM 637 C ILE A 147 1.254 -15.637 0.964 1.00 0.00 C ATOM 638 O ILE A 147 0.145 -16.080 0.664 1.00 0.00 O ATOM 639 CB ILE A 147 0.306 -14.263 2.818 1.00 0.00 C ATOM 640 CG1 ILE A 147 -0.073 -12.805 3.087 1.00 0.00 C ATOM 641 CG2 ILE A 147 0.761 -14.942 4.101 1.00 0.00 C ATOM 642 CD1 ILE A 147 1.072 -11.971 3.618 1.00 0.00 C ATOM 0 H ILE A 147 0.538 -13.112 0.292 1.00 0.00 H new ATOM 0 HA ILE A 147 2.384 -14.332 2.242 1.00 0.00 H new ATOM 0 HB ILE A 147 -0.575 -14.786 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -0.440 -12.357 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -0.894 -12.778 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -0.032 -14.879 4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 147 0.986 -15.989 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 147 1.655 -14.445 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 147 0.731 -10.949 3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.425 -12.394 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 147 1.886 -11.967 2.893 1.00 0.00 H new ATOM 654 N PRO A 148 2.390 -16.264 0.622 1.00 0.00 N ATOM 655 CA PRO A 148 2.405 -17.522 -0.131 1.00 0.00 C ATOM 656 C PRO A 148 1.888 -18.697 0.692 1.00 0.00 C ATOM 657 O PRO A 148 2.146 -18.787 1.893 1.00 0.00 O ATOM 658 CB PRO A 148 3.885 -17.715 -0.469 1.00 0.00 C ATOM 659 CG PRO A 148 4.617 -16.969 0.592 1.00 0.00 C ATOM 660 CD PRO A 148 3.747 -15.794 0.946 1.00 0.00 C ATOM 0 HA PRO A 148 1.756 -17.481 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.156 -18.771 -0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 148 4.119 -17.325 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 148 4.793 -17.601 1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 148 5.593 -16.639 0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 148 3.839 -15.528 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 148 4.014 -14.908 0.369 1.00 0.00 H new ATOM 668 N ASP A 149 1.159 -19.595 0.040 1.00 0.00 N ATOM 669 CA ASP A 149 0.607 -20.766 0.712 1.00 0.00 C ATOM 670 C ASP A 149 1.711 -21.578 1.382 1.00 0.00 C ATOM 671 O ASP A 149 1.462 -22.316 2.335 1.00 0.00 O ATOM 672 CB ASP A 149 -0.154 -21.641 -0.285 1.00 0.00 C ATOM 673 CG ASP A 149 -1.325 -20.915 -0.917 1.00 0.00 C ATOM 674 OD1 ASP A 149 -2.099 -20.277 -0.172 1.00 0.00 O ATOM 675 OD2 ASP A 149 -1.468 -20.984 -2.155 1.00 0.00 O ATOM 0 H ASP A 149 0.936 -19.535 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 149 -0.084 -20.421 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 149 0.529 -21.973 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -0.516 -22.535 0.223 1.00 0.00 H new ATOM 680 N LYS A 150 2.932 -21.438 0.876 1.00 0.00 N ATOM 681 CA LYS A 150 4.075 -22.158 1.424 1.00 0.00 C ATOM 682 C LYS A 150 5.383 -21.468 1.050 1.00 0.00 C ATOM 683 O LYS A 150 5.463 -20.726 0.071 1.00 0.00 O ATOM 684 CB LYS A 150 4.085 -23.602 0.918 1.00 0.00 C ATOM 685 CG LYS A 150 3.845 -23.725 -0.577 1.00 0.00 C ATOM 686 CD LYS A 150 3.693 -25.176 -1.000 1.00 0.00 C ATOM 687 CE LYS A 150 2.250 -25.508 -1.345 1.00 0.00 C ATOM 688 NZ LYS A 150 1.993 -26.974 -1.306 1.00 0.00 N ATOM 0 H LYS A 150 3.155 -20.832 0.087 1.00 0.00 H new ATOM 0 HA LYS A 150 3.984 -22.161 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 150 5.045 -24.057 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 150 3.320 -24.169 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 150 2.947 -23.170 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.676 -23.272 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 150 4.329 -25.373 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.035 -25.828 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 150 1.584 -25.004 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 150 2.017 -25.125 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 0.998 -27.159 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 2.610 -27.453 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 2.191 -27.336 -0.351 1.00 0.00 H new ATOM 702 N PRO A 151 6.433 -21.718 1.846 1.00 0.00 N ATOM 703 CA PRO A 151 7.757 -21.131 1.616 1.00 0.00 C ATOM 704 C PRO A 151 8.437 -21.702 0.376 1.00 0.00 C ATOM 705 O PRO A 151 8.748 -22.890 0.318 1.00 0.00 O ATOM 706 CB PRO A 151 8.538 -21.513 2.876 1.00 0.00 C ATOM 707 CG PRO A 151 7.864 -22.743 3.381 1.00 0.00 C ATOM 708 CD PRO A 151 6.410 -22.592 3.030 1.00 0.00 C ATOM 0 HA PRO A 151 7.701 -20.057 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 151 9.587 -21.701 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 151 8.510 -20.714 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 151 8.286 -23.636 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 151 7.997 -22.847 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 151 5.948 -23.554 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 151 5.844 -22.146 3.848 1.00 0.00 H new ATOM 716 N GLY A 152 8.664 -20.845 -0.616 1.00 0.00 N ATOM 717 CA GLY A 152 9.306 -21.283 -1.841 1.00 0.00 C ATOM 718 C GLY A 152 8.376 -21.221 -3.037 1.00 0.00 C ATOM 719 O GLY A 152 8.827 -21.186 -4.181 1.00 0.00 O ATOM 0 H GLY A 152 8.415 -19.856 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 152 10.180 -20.661 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 152 9.663 -22.305 -1.715 1.00 0.00 H new ATOM 723 N GLU A 153 7.073 -21.209 -2.771 1.00 0.00 N ATOM 724 CA GLU A 153 6.078 -21.154 -3.835 1.00 0.00 C ATOM 725 C GLU A 153 5.797 -19.710 -4.243 1.00 0.00 C ATOM 726 O GLU A 153 6.379 -18.774 -3.695 1.00 0.00 O ATOM 727 CB GLU A 153 4.781 -21.830 -3.386 1.00 0.00 C ATOM 728 CG GLU A 153 4.729 -23.316 -3.699 1.00 0.00 C ATOM 729 CD GLU A 153 4.957 -23.610 -5.169 1.00 0.00 C ATOM 730 OE1 GLU A 153 4.836 -22.674 -5.987 1.00 0.00 O ATOM 731 OE2 GLU A 153 5.256 -24.776 -5.502 1.00 0.00 O ATOM 0 H GLU A 153 6.683 -21.237 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 153 6.477 -21.687 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 153 4.661 -21.689 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 153 3.938 -21.336 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 153 5.483 -23.835 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 153 3.759 -23.713 -3.399 1.00 0.00 H new ATOM 738 N SER A 154 4.902 -19.538 -5.211 1.00 0.00 N ATOM 739 CA SER A 154 4.546 -18.210 -5.696 1.00 0.00 C ATOM 740 C SER A 154 3.472 -17.579 -4.815 1.00 0.00 C ATOM 741 O SER A 154 2.360 -18.095 -4.709 1.00 0.00 O ATOM 742 CB SER A 154 4.055 -18.287 -7.143 1.00 0.00 C ATOM 743 OG SER A 154 5.127 -18.122 -8.055 1.00 0.00 O ATOM 0 H SER A 154 4.410 -20.302 -5.675 1.00 0.00 H new ATOM 0 HA SER A 154 5.438 -17.584 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 154 3.571 -19.249 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 154 3.304 -17.517 -7.317 1.00 0.00 H new ATOM 0 HG SER A 154 4.787 -18.177 -8.973 1.00 0.00 H new ATOM 749 N ALA A 155 3.814 -16.460 -4.186 1.00 0.00 N ATOM 750 CA ALA A 155 2.880 -15.757 -3.316 1.00 0.00 C ATOM 751 C ALA A 155 1.550 -15.512 -4.022 1.00 0.00 C ATOM 752 O ALA A 155 1.451 -15.645 -5.241 1.00 0.00 O ATOM 753 CB ALA A 155 3.482 -14.439 -2.850 1.00 0.00 C ATOM 0 H ALA A 155 4.731 -16.021 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 155 2.690 -16.385 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.773 -13.925 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 155 4.403 -14.634 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 155 3.702 -13.813 -3.715 1.00 0.00 H new ATOM 759 N GLU A 156 0.531 -15.155 -3.247 1.00 0.00 N ATOM 760 CA GLU A 156 -0.793 -14.894 -3.800 1.00 0.00 C ATOM 761 C GLU A 156 -1.003 -13.400 -4.027 1.00 0.00 C ATOM 762 O GLU A 156 -1.180 -12.635 -3.079 1.00 0.00 O ATOM 763 CB GLU A 156 -1.876 -15.436 -2.864 1.00 0.00 C ATOM 764 CG GLU A 156 -3.282 -15.004 -3.247 1.00 0.00 C ATOM 765 CD GLU A 156 -4.268 -16.157 -3.243 1.00 0.00 C ATOM 766 OE1 GLU A 156 -3.877 -17.273 -3.642 1.00 0.00 O ATOM 767 OE2 GLU A 156 -5.430 -15.941 -2.840 1.00 0.00 O ATOM 0 H GLU A 156 0.596 -15.040 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 156 -0.865 -15.403 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.828 -16.525 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.666 -15.103 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -3.624 -14.236 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.262 -14.552 -4.238 1.00 0.00 H new ATOM 774 N VAL A 157 -0.982 -12.991 -5.292 1.00 0.00 N ATOM 775 CA VAL A 157 -1.170 -11.589 -5.645 1.00 0.00 C ATOM 776 C VAL A 157 -2.573 -11.343 -6.188 1.00 0.00 C ATOM 777 O VAL A 157 -2.848 -11.527 -7.374 1.00 0.00 O ATOM 778 CB VAL A 157 -0.138 -11.131 -6.693 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.299 -9.648 -6.988 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.274 -11.439 -6.219 1.00 0.00 C ATOM 0 H VAL A 157 -0.837 -13.611 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 157 -1.030 -11.011 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.315 -11.682 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.438 -9.343 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.301 -9.460 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.150 -9.077 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.990 -11.109 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.465 -10.916 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.380 -12.513 -6.064 1.00 0.00 H new ATOM 790 N PRO A 158 -3.484 -10.916 -5.302 1.00 0.00 N ATOM 791 CA PRO A 158 -4.875 -10.634 -5.669 1.00 0.00 C ATOM 792 C PRO A 158 -5.003 -9.393 -6.546 1.00 0.00 C ATOM 793 O PRO A 158 -4.097 -8.562 -6.622 1.00 0.00 O ATOM 794 CB PRO A 158 -5.560 -10.408 -4.319 1.00 0.00 C ATOM 795 CG PRO A 158 -4.467 -9.961 -3.410 1.00 0.00 C ATOM 796 CD PRO A 158 -3.227 -10.675 -3.872 1.00 0.00 C ATOM 0 HA PRO A 158 -5.314 -11.442 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.345 -9.655 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -6.029 -11.322 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.336 -8.880 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.696 -10.208 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.334 -10.068 -3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -3.074 -11.607 -3.329 1.00 0.00 H new ATOM 804 N PRO A 159 -6.153 -9.261 -7.223 1.00 0.00 N ATOM 805 CA PRO A 159 -6.426 -8.123 -8.105 1.00 0.00 C ATOM 806 C PRO A 159 -6.619 -6.823 -7.332 1.00 0.00 C ATOM 807 O PRO A 159 -6.082 -5.781 -7.707 1.00 0.00 O ATOM 808 CB PRO A 159 -7.725 -8.524 -8.809 1.00 0.00 C ATOM 809 CG PRO A 159 -8.386 -9.474 -7.872 1.00 0.00 C ATOM 810 CD PRO A 159 -7.275 -10.213 -7.178 1.00 0.00 C ATOM 0 HA PRO A 159 -5.598 -7.928 -8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.355 -7.656 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.525 -8.993 -9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.010 -8.943 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.037 -10.163 -8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.542 -10.471 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.032 -11.145 -7.688 1.00 0.00 H new ATOM 818 N VAL A 160 -7.389 -6.892 -6.251 1.00 0.00 N ATOM 819 CA VAL A 160 -7.652 -5.720 -5.424 1.00 0.00 C ATOM 820 C VAL A 160 -6.814 -5.748 -4.150 1.00 0.00 C ATOM 821 O VAL A 160 -6.896 -6.689 -3.360 1.00 0.00 O ATOM 822 CB VAL A 160 -9.141 -5.623 -5.043 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.371 -4.476 -4.072 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.999 -5.459 -6.289 1.00 0.00 C ATOM 0 H VAL A 160 -7.842 -7.747 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.379 -4.847 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.433 -6.549 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.429 -4.424 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -8.785 -4.642 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.064 -3.539 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -11.048 -5.392 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -9.708 -4.549 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.856 -6.318 -6.945 1.00 0.00 H new ATOM 834 N PHE A 161 -6.008 -4.709 -3.956 1.00 0.00 N ATOM 835 CA PHE A 161 -5.154 -4.614 -2.778 1.00 0.00 C ATOM 836 C PHE A 161 -5.636 -3.506 -1.845 1.00 0.00 C ATOM 837 O PHE A 161 -5.805 -2.360 -2.260 1.00 0.00 O ATOM 838 CB PHE A 161 -3.704 -4.353 -3.192 1.00 0.00 C ATOM 839 CG PHE A 161 -2.845 -3.835 -2.074 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.374 -4.690 -1.091 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.510 -2.492 -2.006 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.584 -4.216 -0.061 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.719 -2.013 -0.979 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.256 -2.876 -0.005 1.00 0.00 C ATOM 0 H PHE A 161 -5.929 -3.921 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.207 -5.563 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.271 -5.278 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.692 -3.634 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.627 -5.739 -1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.871 -1.812 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.224 -4.893 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.463 -0.965 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.639 -2.503 0.799 1.00 0.00 H new ATOM 854 N TYR A 162 -5.854 -3.858 -0.583 1.00 0.00 N ATOM 855 CA TYR A 162 -6.319 -2.896 0.409 1.00 0.00 C ATOM 856 C TYR A 162 -5.345 -2.806 1.580 1.00 0.00 C ATOM 857 O TYR A 162 -5.224 -3.739 2.375 1.00 0.00 O ATOM 858 CB TYR A 162 -7.709 -3.285 0.916 1.00 0.00 C ATOM 859 CG TYR A 162 -8.819 -2.418 0.366 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.817 -2.014 -0.963 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.869 -2.003 1.175 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.829 -1.221 -1.470 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.886 -1.212 0.677 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.861 -0.823 -0.647 1.00 0.00 C ATOM 865 OH TYR A 162 -11.871 -0.034 -1.147 1.00 0.00 O ATOM 0 H TYR A 162 -5.716 -4.802 -0.223 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.375 -1.918 -0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.906 -4.324 0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.719 -3.226 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.011 -2.325 -1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.891 -2.304 2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.811 -0.915 -2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.696 -0.900 1.320 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.520 0.156 -0.437 1.00 0.00 H new ATOM 875 N CYS A 163 -4.653 -1.676 1.680 1.00 0.00 N ATOM 876 CA CYS A 163 -3.689 -1.462 2.753 1.00 0.00 C ATOM 877 C CYS A 163 -4.287 -1.841 4.105 1.00 0.00 C ATOM 878 O CYS A 163 -5.506 -1.871 4.269 1.00 0.00 O ATOM 879 CB CYS A 163 -3.236 -0.001 2.775 1.00 0.00 C ATOM 880 SG CYS A 163 -4.567 1.185 3.151 1.00 0.00 S ATOM 0 H CYS A 163 -4.742 -0.894 1.031 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.826 -2.101 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.444 0.111 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.804 0.249 1.806 1.00 0.00 H new ATOM 885 N GLU A 164 -3.418 -2.130 5.069 1.00 0.00 N ATOM 886 CA GLU A 164 -3.860 -2.508 6.406 1.00 0.00 C ATOM 887 C GLU A 164 -4.875 -1.505 6.947 1.00 0.00 C ATOM 888 O GLU A 164 -5.898 -1.885 7.519 1.00 0.00 O ATOM 889 CB GLU A 164 -2.664 -2.603 7.355 1.00 0.00 C ATOM 890 CG GLU A 164 -1.811 -1.346 7.386 1.00 0.00 C ATOM 891 CD GLU A 164 -0.469 -1.568 8.057 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.321 -2.585 8.766 1.00 0.00 O ATOM 893 OE2 GLU A 164 0.433 -0.725 7.872 1.00 0.00 O ATOM 0 H GLU A 164 -2.405 -2.110 4.949 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.340 -3.484 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.025 -2.812 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -2.042 -3.447 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.650 -0.996 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.350 -0.558 7.912 1.00 0.00 H new ATOM 900 N LEU A 165 -4.585 -0.221 6.764 1.00 0.00 N ATOM 901 CA LEU A 165 -5.470 0.838 7.234 1.00 0.00 C ATOM 902 C LEU A 165 -6.903 0.595 6.771 1.00 0.00 C ATOM 903 O LEU A 165 -7.843 0.661 7.565 1.00 0.00 O ATOM 904 CB LEU A 165 -4.983 2.198 6.730 1.00 0.00 C ATOM 905 CG LEU A 165 -3.513 2.524 6.993 1.00 0.00 C ATOM 906 CD1 LEU A 165 -2.915 3.280 5.817 1.00 0.00 C ATOM 907 CD2 LEU A 165 -3.366 3.328 8.276 1.00 0.00 C ATOM 0 H LEU A 165 -3.743 0.111 6.293 1.00 0.00 H new ATOM 0 HA LEU A 165 -5.454 0.834 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -5.159 2.249 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -5.595 2.974 7.191 1.00 0.00 H new ATOM 0 HG LEU A 165 -2.969 1.587 7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -1.868 3.503 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -2.986 2.669 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -3.462 4.211 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -2.313 3.551 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -3.924 4.260 8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -3.755 2.750 9.114 1.00 0.00 H new ATOM 919 N CYS A 166 -7.064 0.312 5.483 1.00 0.00 N ATOM 920 CA CYS A 166 -8.381 0.057 4.914 1.00 0.00 C ATOM 921 C CYS A 166 -8.909 -1.307 5.353 1.00 0.00 C ATOM 922 O CYS A 166 -10.039 -1.423 5.827 1.00 0.00 O ATOM 923 CB CYS A 166 -8.322 0.125 3.387 1.00 0.00 C ATOM 924 SG CYS A 166 -8.078 1.806 2.727 1.00 0.00 S ATOM 0 H CYS A 166 -6.297 0.253 4.813 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.062 0.826 5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.511 -0.513 3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.247 -0.283 2.980 1.00 0.00 H new ATOM 929 N ARG A 167 -8.082 -2.335 5.191 1.00 0.00 N ATOM 930 CA ARG A 167 -8.465 -3.690 5.569 1.00 0.00 C ATOM 931 C ARG A 167 -9.015 -3.722 6.992 1.00 0.00 C ATOM 932 O ARG A 167 -10.006 -4.398 7.271 1.00 0.00 O ATOM 933 CB ARG A 167 -7.266 -4.632 5.453 1.00 0.00 C ATOM 934 CG ARG A 167 -7.290 -5.498 4.204 1.00 0.00 C ATOM 935 CD ARG A 167 -7.228 -6.977 4.549 1.00 0.00 C ATOM 936 NE ARG A 167 -5.879 -7.395 4.924 1.00 0.00 N ATOM 937 CZ ARG A 167 -5.549 -8.652 5.199 1.00 0.00 C ATOM 938 NH1 ARG A 167 -6.465 -9.609 5.141 1.00 0.00 N ATOM 939 NH2 ARG A 167 -4.301 -8.954 5.533 1.00 0.00 N ATOM 0 H ARG A 167 -7.143 -2.255 4.801 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.248 -4.023 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.349 -4.042 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -7.235 -5.277 6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -8.198 -5.294 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -6.448 -5.237 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -7.914 -7.187 5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -7.565 -7.563 3.694 1.00 0.00 H new ATOM 0 HE ARG A 167 -5.151 -6.683 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -7.426 -9.381 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -6.209 -10.573 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -3.594 -8.221 5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -4.049 -9.920 5.744 1.00 0.00 H new ATOM 953 N LEU A 168 -8.365 -2.988 7.889 1.00 0.00 N ATOM 954 CA LEU A 168 -8.788 -2.933 9.284 1.00 0.00 C ATOM 955 C LEU A 168 -10.056 -2.098 9.436 1.00 0.00 C ATOM 956 O LEU A 168 -11.006 -2.509 10.100 1.00 0.00 O ATOM 957 CB LEU A 168 -7.673 -2.350 10.153 1.00 0.00 C ATOM 958 CG LEU A 168 -6.798 -3.364 10.891 1.00 0.00 C ATOM 959 CD1 LEU A 168 -5.599 -2.674 11.523 1.00 0.00 C ATOM 960 CD2 LEU A 168 -7.610 -4.099 11.947 1.00 0.00 C ATOM 0 H LEU A 168 -7.543 -2.423 7.675 1.00 0.00 H new ATOM 0 HA LEU A 168 -9.003 -3.950 9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -7.030 -1.737 9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -8.124 -1.685 10.890 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.432 -4.094 10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -4.988 -3.411 12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -5.005 -2.193 10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -5.944 -1.922 12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -6.972 -4.817 12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -8.005 -3.382 12.667 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -8.436 -4.626 11.469 1.00 0.00 H new ATOM 972 N SER A 169 -10.062 -0.923 8.813 1.00 0.00 N ATOM 973 CA SER A 169 -11.212 -0.029 8.880 1.00 0.00 C ATOM 974 C SER A 169 -12.446 -0.684 8.268 1.00 0.00 C ATOM 975 O SER A 169 -13.577 -0.278 8.537 1.00 0.00 O ATOM 976 CB SER A 169 -10.907 1.284 8.158 1.00 0.00 C ATOM 977 OG SER A 169 -10.461 2.275 9.067 1.00 0.00 O ATOM 0 H SER A 169 -9.284 -0.569 8.257 1.00 0.00 H new ATOM 0 HA SER A 169 -11.416 0.181 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 169 -10.145 1.115 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 169 -11.801 1.635 7.642 1.00 0.00 H new ATOM 0 HG SER A 169 -10.271 3.104 8.580 1.00 0.00 H new ATOM 983 N ARG A 170 -12.220 -1.701 7.442 1.00 0.00 N ATOM 984 CA ARG A 170 -13.313 -2.412 6.789 1.00 0.00 C ATOM 985 C ARG A 170 -13.607 -3.729 7.502 1.00 0.00 C ATOM 986 O ARG A 170 -14.726 -4.239 7.449 1.00 0.00 O ATOM 987 CB ARG A 170 -12.971 -2.680 5.322 1.00 0.00 C ATOM 988 CG ARG A 170 -13.357 -1.544 4.390 1.00 0.00 C ATOM 989 CD ARG A 170 -12.397 -0.371 4.513 1.00 0.00 C ATOM 990 NE ARG A 170 -12.893 0.817 3.824 1.00 0.00 N ATOM 991 CZ ARG A 170 -12.399 2.036 4.012 1.00 0.00 C ATOM 992 NH1 ARG A 170 -11.401 2.226 4.864 1.00 0.00 N ATOM 993 NH2 ARG A 170 -12.904 3.068 3.348 1.00 0.00 N ATOM 0 H ARG A 170 -11.291 -2.051 7.209 1.00 0.00 H new ATOM 0 HA ARG A 170 -14.203 -1.784 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -11.900 -2.862 5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -13.477 -3.590 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -13.364 -1.903 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -14.370 -1.212 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -12.240 -0.140 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -11.428 -0.651 4.100 1.00 0.00 H new ATOM 0 HE ARG A 170 -13.661 0.705 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -11.011 1.435 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -11.023 3.163 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -13.672 2.926 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -12.524 4.003 3.493 1.00 0.00 H new ATOM 1007 N ALA A 171 -12.594 -4.274 8.169 1.00 0.00 N ATOM 1008 CA ALA A 171 -12.745 -5.529 8.894 1.00 0.00 C ATOM 1009 C ALA A 171 -13.058 -6.679 7.942 1.00 0.00 C ATOM 1010 O ALA A 171 -13.684 -7.666 8.329 1.00 0.00 O ATOM 1011 CB ALA A 171 -13.834 -5.403 9.948 1.00 0.00 C ATOM 0 H ALA A 171 -11.661 -3.866 8.222 1.00 0.00 H new ATOM 0 HA ALA A 171 -11.799 -5.749 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -13.935 -6.348 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.569 -4.615 10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -14.780 -5.155 9.466 1.00 0.00 H new ATOM 1017 N ASP A 172 -12.619 -6.544 6.695 1.00 0.00 N ATOM 1018 CA ASP A 172 -12.853 -7.572 5.687 1.00 0.00 C ATOM 1019 C ASP A 172 -14.331 -7.944 5.623 1.00 0.00 C ATOM 1020 O ASP A 172 -14.844 -8.184 4.531 1.00 0.00 O ATOM 1021 CB ASP A 172 -12.014 -8.815 5.991 1.00 0.00 C ATOM 1022 CG ASP A 172 -12.261 -9.936 5.002 1.00 0.00 C ATOM 1023 OD1 ASP A 172 -12.598 -9.636 3.838 1.00 0.00 O ATOM 1024 OD2 ASP A 172 -12.117 -11.114 5.391 1.00 0.00 O ATOM 0 H ASP A 172 -12.100 -5.733 6.358 1.00 0.00 H new ATOM 0 HA ASP A 172 -12.556 -7.170 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -10.957 -8.549 5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -12.241 -9.166 6.998 1.00 0.00 H new TER 1029 ASP A 172 HETATM 1030 ZN ZN A 901 7.864 -3.099 2.534 1.00 0.00 ZN HETATM 1031 ZN ZN A 902 -5.888 1.990 1.716 1.00 0.00 ZN