USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= 0 X(o=-2.4,f=-2.4) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -2.43 F(o=-8.9!,f=-2.4) USER MOD Set 2.1: A 24 ASN : amide:sc= -2.1 K(o=-4,f=-7!) USER MOD Set 2.2: A 66 GLN : amide:sc= -1.91 K(o=-4,f=-8.1!) USER MOD Set 3.1: A 23 THR OG1 : rot 180:sc= 0.00561 USER MOD Set 3.2: A 25 ASN : amide:sc= -1.76! C(o=-1.8!,f=-5.7!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -2.71 (180deg=-5.44!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.00557 X(o=-0.0056,f=-0.078) USER MOD Single : A 14 GLN : amide:sc= -1.99 K(o=-2,f=-7.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.3!) USER MOD Single : A 27 SER OG : rot -55:sc= 0.0259 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -3:sc= 1.01 USER MOD Single : A 64 THR OG1 : rot 150:sc= -3.74! USER MOD Single : A 71 TYR OH : rot -39:sc= -1.3! USER MOD Single : A 75 HIS : no HE2:sc= -3.68! C(o=-3.7!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.218 -12.354 -12.168 1.00 0.00 N ATOM 2 CA SER A 1 -3.961 -12.685 -12.817 1.00 0.00 C ATOM 3 C SER A 1 -2.836 -11.813 -12.256 1.00 0.00 C ATOM 4 O SER A 1 -1.828 -12.327 -11.776 1.00 0.00 O ATOM 5 CB SER A 1 -4.062 -12.510 -14.334 1.00 0.00 C ATOM 6 OG SER A 1 -3.132 -13.335 -15.030 1.00 0.00 O ATOM 0 H1 SER A 1 -5.976 -12.951 -12.555 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.135 -12.520 -11.145 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.444 -11.353 -12.339 1.00 0.00 H new ATOM 0 HA SER A 1 -3.736 -13.732 -12.613 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.074 -12.750 -14.660 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.883 -11.466 -14.591 1.00 0.00 H new ATOM 0 HG SER A 1 -3.229 -13.195 -15.995 1.00 0.00 H new ATOM 12 N THR A 2 -3.048 -10.507 -12.335 1.00 0.00 N ATOM 13 CA THR A 2 -2.064 -9.558 -11.841 1.00 0.00 C ATOM 14 C THR A 2 -2.422 -9.109 -10.424 1.00 0.00 C ATOM 15 O THR A 2 -3.576 -9.210 -10.009 1.00 0.00 O ATOM 16 CB THR A 2 -1.977 -8.404 -12.841 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.335 -8.036 -13.066 1.00 0.00 O ATOM 18 CG2 THR A 2 -1.481 -8.856 -14.216 1.00 0.00 C ATOM 0 H THR A 2 -3.886 -10.084 -12.733 1.00 0.00 H new ATOM 0 HA THR A 2 -1.077 -10.015 -11.764 1.00 0.00 H new ATOM 0 HB THR A 2 -1.311 -7.635 -12.450 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.371 -7.292 -13.702 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.438 -7.998 -14.887 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.486 -9.291 -14.119 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.165 -9.601 -14.623 1.00 0.00 H new ATOM 26 N ILE A 3 -1.411 -8.622 -9.719 1.00 0.00 N ATOM 27 CA ILE A 3 -1.605 -8.156 -8.356 1.00 0.00 C ATOM 28 C ILE A 3 -2.235 -6.763 -8.382 1.00 0.00 C ATOM 29 O ILE A 3 -3.008 -6.410 -7.493 1.00 0.00 O ATOM 30 CB ILE A 3 -0.290 -8.222 -7.576 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.577 -9.386 -8.059 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.549 -8.286 -6.069 1.00 0.00 C ATOM 33 CD1 ILE A 3 1.613 -8.912 -9.079 1.00 0.00 C ATOM 0 H ILE A 3 -0.455 -8.540 -10.066 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.298 -8.809 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 3 0.267 -7.305 -7.768 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.082 -9.845 -7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.055 -10.153 -8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.402 -8.332 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.097 -7.397 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.137 -9.174 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.216 -9.759 -9.406 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.104 -8.476 -9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.258 -8.163 -8.621 1.00 0.00 H new ATOM 45 N GLU A 4 -1.882 -6.008 -9.412 1.00 0.00 N ATOM 46 CA GLU A 4 -2.404 -4.660 -9.566 1.00 0.00 C ATOM 47 C GLU A 4 -3.874 -4.609 -9.146 1.00 0.00 C ATOM 48 O GLU A 4 -4.268 -3.753 -8.355 1.00 0.00 O ATOM 49 CB GLU A 4 -2.227 -4.165 -11.003 1.00 0.00 C ATOM 50 CG GLU A 4 -3.126 -2.958 -11.282 1.00 0.00 C ATOM 51 CD GLU A 4 -4.358 -3.368 -12.091 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.438 -3.572 -11.516 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.166 -3.472 -13.362 1.00 0.00 O ATOM 0 H GLU A 4 -1.241 -6.304 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.837 -3.995 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.185 -3.894 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.464 -4.969 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.438 -2.507 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.564 -2.200 -11.827 1.00 0.00 H new ATOM 61 N GLU A 5 -4.646 -5.537 -9.693 1.00 0.00 N ATOM 62 CA GLU A 5 -6.064 -5.608 -9.385 1.00 0.00 C ATOM 63 C GLU A 5 -6.295 -5.363 -7.892 1.00 0.00 C ATOM 64 O GLU A 5 -7.065 -4.480 -7.516 1.00 0.00 O ATOM 65 CB GLU A 5 -6.652 -6.952 -9.818 1.00 0.00 C ATOM 66 CG GLU A 5 -7.952 -7.249 -9.067 1.00 0.00 C ATOM 67 CD GLU A 5 -8.989 -7.883 -9.997 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.047 -7.540 -11.187 1.00 0.00 O ATOM 69 OE2 GLU A 5 -9.752 -8.764 -9.442 1.00 0.00 O ATOM 0 H GLU A 5 -4.316 -6.246 -10.348 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.578 -4.827 -9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.842 -6.941 -10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.930 -7.746 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.749 -7.919 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.352 -6.327 -8.645 1.00 0.00 H new ATOM 77 N ARG A 6 -5.616 -6.162 -7.082 1.00 0.00 N ATOM 78 CA ARG A 6 -5.738 -6.043 -5.639 1.00 0.00 C ATOM 79 C ARG A 6 -5.133 -4.721 -5.162 1.00 0.00 C ATOM 80 O ARG A 6 -5.693 -4.056 -4.292 1.00 0.00 O ATOM 81 CB ARG A 6 -5.035 -7.202 -4.930 1.00 0.00 C ATOM 82 CG ARG A 6 -5.793 -8.514 -5.141 1.00 0.00 C ATOM 83 CD ARG A 6 -5.153 -9.652 -4.343 1.00 0.00 C ATOM 84 NE ARG A 6 -6.177 -10.331 -3.518 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.268 -10.945 -4.021 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.487 -10.971 -5.353 1.00 0.00 N ATOM 87 NH2 ARG A 6 -8.119 -11.520 -3.192 1.00 0.00 N ATOM 0 H ARG A 6 -4.980 -6.894 -7.397 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.799 -6.071 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.017 -7.301 -5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.960 -6.989 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.832 -8.391 -4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.800 -8.768 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.689 -10.367 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.362 -9.259 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.050 -10.335 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.825 -10.524 -5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.314 -11.437 -5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.947 -11.496 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.949 -11.988 -3.556 1.00 0.00 H new ATOM 100 N VAL A 7 -3.998 -4.379 -5.753 1.00 0.00 N ATOM 101 CA VAL A 7 -3.311 -3.148 -5.400 1.00 0.00 C ATOM 102 C VAL A 7 -4.310 -1.989 -5.416 1.00 0.00 C ATOM 103 O VAL A 7 -4.516 -1.328 -4.399 1.00 0.00 O ATOM 104 CB VAL A 7 -2.122 -2.925 -6.336 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.425 -1.597 -6.031 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.136 -4.092 -6.257 1.00 0.00 C ATOM 0 H VAL A 7 -3.536 -4.933 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.905 -3.213 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.503 -2.877 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.583 -1.463 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.131 -0.777 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.063 -1.604 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.300 -3.908 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.765 -4.186 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.640 -5.014 -6.546 1.00 0.00 H new ATOM 116 N LYS A 8 -4.904 -1.778 -6.582 1.00 0.00 N ATOM 117 CA LYS A 8 -5.876 -0.710 -6.743 1.00 0.00 C ATOM 118 C LYS A 8 -6.894 -0.776 -5.603 1.00 0.00 C ATOM 119 O LYS A 8 -7.256 0.250 -5.029 1.00 0.00 O ATOM 120 CB LYS A 8 -6.508 -0.767 -8.136 1.00 0.00 C ATOM 121 CG LYS A 8 -5.435 -0.891 -9.220 1.00 0.00 C ATOM 122 CD LYS A 8 -4.254 0.038 -8.931 1.00 0.00 C ATOM 123 CE LYS A 8 -4.680 1.506 -9.006 1.00 0.00 C ATOM 124 NZ LYS A 8 -4.451 2.178 -7.707 1.00 0.00 N ATOM 0 H LYS A 8 -4.731 -2.328 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.388 0.262 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.190 -1.615 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.101 0.131 -8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.086 -1.922 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.865 -0.647 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.851 -0.177 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.455 -0.150 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.118 2.014 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.734 1.572 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.330 3.199 -7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.267 2.016 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.594 1.791 -7.263 1.00 0.00 H new ATOM 137 N LYS A 9 -7.328 -1.993 -5.310 1.00 0.00 N ATOM 138 CA LYS A 9 -8.298 -2.207 -4.249 1.00 0.00 C ATOM 139 C LYS A 9 -7.751 -1.631 -2.941 1.00 0.00 C ATOM 140 O LYS A 9 -8.313 -0.684 -2.392 1.00 0.00 O ATOM 141 CB LYS A 9 -8.676 -3.686 -4.158 1.00 0.00 C ATOM 142 CG LYS A 9 -10.189 -3.857 -4.005 1.00 0.00 C ATOM 143 CD LYS A 9 -10.896 -3.720 -5.355 1.00 0.00 C ATOM 144 CE LYS A 9 -12.355 -3.299 -5.169 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.491 -1.831 -5.294 1.00 0.00 N ATOM 0 H LYS A 9 -7.026 -2.841 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.225 -1.678 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.336 -4.208 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.167 -4.144 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.406 -4.834 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.575 -3.110 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.377 -2.984 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.853 -4.669 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.980 -3.793 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.711 -3.621 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.487 -1.562 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.910 -1.365 -4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.171 -1.532 -6.237 1.00 0.00 H new ATOM 158 N ILE A 10 -6.660 -2.225 -2.480 1.00 0.00 N ATOM 159 CA ILE A 10 -6.031 -1.783 -1.247 1.00 0.00 C ATOM 160 C ILE A 10 -5.755 -0.281 -1.331 1.00 0.00 C ATOM 161 O ILE A 10 -6.097 0.469 -0.418 1.00 0.00 O ATOM 162 CB ILE A 10 -4.787 -2.622 -0.950 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.138 -4.108 -0.852 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.073 -2.118 0.306 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.180 -4.567 0.607 1.00 0.00 C ATOM 0 H ILE A 10 -6.195 -3.009 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.700 -1.937 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.093 -2.509 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.105 -4.289 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.402 -4.696 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.192 -2.732 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.769 -1.082 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.749 -2.181 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.432 -5.627 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.205 -4.408 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.934 -3.994 1.147 1.00 0.00 H new ATOM 177 N ILE A 11 -5.138 0.114 -2.435 1.00 0.00 N ATOM 178 CA ILE A 11 -4.811 1.513 -2.650 1.00 0.00 C ATOM 179 C ILE A 11 -6.006 2.379 -2.247 1.00 0.00 C ATOM 180 O ILE A 11 -5.856 3.335 -1.488 1.00 0.00 O ATOM 181 CB ILE A 11 -4.346 1.740 -4.090 1.00 0.00 C ATOM 182 CG1 ILE A 11 -3.029 1.009 -4.362 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.248 3.233 -4.406 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.830 1.905 -4.048 1.00 0.00 C ATOM 0 H ILE A 11 -4.856 -0.511 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.974 1.809 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.094 1.318 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.980 0.104 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.991 0.697 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.915 3.366 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.226 3.697 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.533 3.702 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.907 1.362 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.869 2.798 -4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.858 2.195 -2.998 1.00 0.00 H new ATOM 196 N GLY A 12 -7.166 2.014 -2.773 1.00 0.00 N ATOM 197 CA GLY A 12 -8.386 2.745 -2.477 1.00 0.00 C ATOM 198 C GLY A 12 -8.587 2.887 -0.967 1.00 0.00 C ATOM 199 O GLY A 12 -9.091 3.907 -0.498 1.00 0.00 O ATOM 0 H GLY A 12 -7.287 1.221 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.343 3.733 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.240 2.227 -2.914 1.00 0.00 H new ATOM 203 N GLN A 13 -8.183 1.850 -0.248 1.00 0.00 N ATOM 204 CA GLN A 13 -8.313 1.847 1.199 1.00 0.00 C ATOM 205 C GLN A 13 -7.226 2.717 1.832 1.00 0.00 C ATOM 206 O GLN A 13 -7.488 3.451 2.783 1.00 0.00 O ATOM 207 CB GLN A 13 -8.264 0.421 1.750 1.00 0.00 C ATOM 208 CG GLN A 13 -9.310 0.221 2.849 1.00 0.00 C ATOM 209 CD GLN A 13 -8.654 -0.231 4.155 1.00 0.00 C ATOM 210 OE1 GLN A 13 -7.857 -1.153 4.193 1.00 0.00 O ATOM 211 NE2 GLN A 13 -9.034 0.468 5.221 1.00 0.00 N ATOM 0 H GLN A 13 -7.766 1.006 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.284 2.269 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.439 -0.291 0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.270 0.215 2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.852 1.152 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.041 -0.521 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.706 1.229 5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.653 0.243 6.140 1.00 0.00 H new ATOM 220 N GLN A 14 -6.027 2.607 1.278 1.00 0.00 N ATOM 221 CA GLN A 14 -4.899 3.374 1.776 1.00 0.00 C ATOM 222 C GLN A 14 -5.263 4.858 1.863 1.00 0.00 C ATOM 223 O GLN A 14 -4.630 5.614 2.598 1.00 0.00 O ATOM 224 CB GLN A 14 -3.662 3.164 0.900 1.00 0.00 C ATOM 225 CG GLN A 14 -3.377 1.673 0.703 1.00 0.00 C ATOM 226 CD GLN A 14 -1.919 1.442 0.303 1.00 0.00 C ATOM 227 OE1 GLN A 14 -0.993 1.956 0.910 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.766 0.642 -0.748 1.00 0.00 N ATOM 0 H GLN A 14 -5.813 1.998 0.489 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.658 3.019 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.813 3.640 -0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.799 3.645 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.595 1.133 1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.037 1.271 -0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.584 0.245 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.831 0.425 -1.092 1.00 0.00 H new ATOM 237 N LEU A 15 -6.282 5.230 1.102 1.00 0.00 N ATOM 238 CA LEU A 15 -6.738 6.609 1.083 1.00 0.00 C ATOM 239 C LEU A 15 -8.265 6.636 1.008 1.00 0.00 C ATOM 240 O LEU A 15 -8.939 6.751 2.031 1.00 0.00 O ATOM 241 CB LEU A 15 -6.053 7.385 -0.044 1.00 0.00 C ATOM 242 CG LEU A 15 -5.595 6.557 -1.247 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.124 7.150 -2.554 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.073 6.405 -1.260 1.00 0.00 C ATOM 0 H LEU A 15 -6.805 4.600 0.494 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.455 7.116 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.739 8.154 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.185 7.898 0.370 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.017 5.556 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.784 6.543 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.214 7.162 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.752 8.168 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.774 5.813 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.609 7.390 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.750 5.904 -0.348 1.00 0.00 H new ATOM 256 N GLY A 16 -8.768 6.528 -0.213 1.00 0.00 N ATOM 257 CA GLY A 16 -10.204 6.538 -0.435 1.00 0.00 C ATOM 258 C GLY A 16 -10.581 7.525 -1.541 1.00 0.00 C ATOM 259 O GLY A 16 -10.986 8.652 -1.260 1.00 0.00 O ATOM 0 H GLY A 16 -8.206 6.433 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.541 5.537 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.716 6.808 0.488 1.00 0.00 H new ATOM 263 N VAL A 17 -10.434 7.067 -2.775 1.00 0.00 N ATOM 264 CA VAL A 17 -10.754 7.896 -3.925 1.00 0.00 C ATOM 265 C VAL A 17 -11.216 7.004 -5.079 1.00 0.00 C ATOM 266 O VAL A 17 -11.301 5.785 -4.931 1.00 0.00 O ATOM 267 CB VAL A 17 -9.552 8.770 -4.290 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.004 10.074 -4.951 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.685 9.051 -3.061 1.00 0.00 C ATOM 0 H VAL A 17 -10.097 6.132 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.574 8.575 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.945 8.221 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.131 10.677 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.560 9.847 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.643 10.628 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.838 9.674 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.278 9.570 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.320 8.110 -2.650 1.00 0.00 H new ATOM 279 N LYS A 18 -11.503 7.645 -6.202 1.00 0.00 N ATOM 280 CA LYS A 18 -11.955 6.925 -7.380 1.00 0.00 C ATOM 281 C LYS A 18 -10.747 6.312 -8.092 1.00 0.00 C ATOM 282 O LYS A 18 -9.770 5.931 -7.449 1.00 0.00 O ATOM 283 CB LYS A 18 -12.798 7.836 -8.275 1.00 0.00 C ATOM 284 CG LYS A 18 -14.019 7.092 -8.820 1.00 0.00 C ATOM 285 CD LYS A 18 -15.122 8.071 -9.227 1.00 0.00 C ATOM 286 CE LYS A 18 -16.362 7.325 -9.723 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.726 7.772 -11.086 1.00 0.00 N ATOM 0 H LYS A 18 -11.431 8.655 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.610 6.102 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.123 8.709 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.191 8.201 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.728 6.489 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.398 6.405 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.387 8.699 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.754 8.733 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.171 6.252 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.195 7.500 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.570 7.255 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.928 8.792 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.936 7.583 -11.736 1.00 0.00 H new ATOM 300 N GLN A 19 -10.854 6.235 -9.411 1.00 0.00 N ATOM 301 CA GLN A 19 -9.782 5.675 -10.217 1.00 0.00 C ATOM 302 C GLN A 19 -9.076 6.781 -11.003 1.00 0.00 C ATOM 303 O GLN A 19 -7.848 6.836 -11.037 1.00 0.00 O ATOM 304 CB GLN A 19 -10.313 4.588 -11.154 1.00 0.00 C ATOM 305 CG GLN A 19 -10.329 3.225 -10.459 1.00 0.00 C ATOM 306 CD GLN A 19 -9.615 2.169 -11.306 1.00 0.00 C ATOM 307 OE1 GLN A 19 -8.699 2.456 -12.060 1.00 0.00 O ATOM 308 NE2 GLN A 19 -10.083 0.936 -11.140 1.00 0.00 N ATOM 0 H GLN A 19 -11.666 6.551 -9.941 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.055 5.211 -9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.320 4.845 -11.481 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.691 4.537 -12.048 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.845 3.304 -9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.359 2.917 -10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.852 0.765 -10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.673 0.160 -11.660 1.00 0.00 H new ATOM 317 N GLU A 20 -9.883 7.634 -11.617 1.00 0.00 N ATOM 318 CA GLU A 20 -9.350 8.735 -12.402 1.00 0.00 C ATOM 319 C GLU A 20 -8.606 9.720 -11.498 1.00 0.00 C ATOM 320 O GLU A 20 -7.854 10.565 -11.980 1.00 0.00 O ATOM 321 CB GLU A 20 -10.461 9.439 -13.183 1.00 0.00 C ATOM 322 CG GLU A 20 -10.248 9.294 -14.691 1.00 0.00 C ATOM 323 CD GLU A 20 -11.580 9.357 -15.442 1.00 0.00 C ATOM 324 OE1 GLU A 20 -12.179 10.437 -15.550 1.00 0.00 O ATOM 325 OE2 GLU A 20 -11.989 8.232 -15.923 1.00 0.00 O ATOM 0 H GLU A 20 -10.901 7.585 -11.587 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.642 8.331 -13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.428 9.018 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.485 10.495 -12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.588 10.086 -15.046 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.752 8.347 -14.902 1.00 0.00 H new ATOM 333 N GLU A 21 -8.844 9.579 -10.202 1.00 0.00 N ATOM 334 CA GLU A 21 -8.206 10.446 -9.226 1.00 0.00 C ATOM 335 C GLU A 21 -6.987 9.751 -8.615 1.00 0.00 C ATOM 336 O GLU A 21 -6.164 10.392 -7.963 1.00 0.00 O ATOM 337 CB GLU A 21 -9.196 10.871 -8.140 1.00 0.00 C ATOM 338 CG GLU A 21 -9.793 12.246 -8.449 1.00 0.00 C ATOM 339 CD GLU A 21 -9.749 13.152 -7.217 1.00 0.00 C ATOM 340 OE1 GLU A 21 -8.742 13.168 -6.494 1.00 0.00 O ATOM 341 OE2 GLU A 21 -10.811 13.859 -7.023 1.00 0.00 O ATOM 0 H GLU A 21 -9.470 8.878 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.868 11.348 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.995 10.133 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.692 10.898 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.241 12.711 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.824 12.132 -8.784 1.00 0.00 H new ATOM 349 N VAL A 22 -6.910 8.449 -8.847 1.00 0.00 N ATOM 350 CA VAL A 22 -5.806 7.660 -8.328 1.00 0.00 C ATOM 351 C VAL A 22 -5.128 6.918 -9.482 1.00 0.00 C ATOM 352 O VAL A 22 -4.664 5.791 -9.312 1.00 0.00 O ATOM 353 CB VAL A 22 -6.304 6.724 -7.226 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.698 5.361 -7.800 1.00 0.00 C ATOM 355 CG2 VAL A 22 -5.257 6.571 -6.121 1.00 0.00 C ATOM 0 H VAL A 22 -7.595 7.920 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.056 8.306 -7.872 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.194 7.172 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.048 4.715 -6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.494 5.491 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.833 4.905 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.637 5.900 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.341 6.157 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.046 7.546 -5.682 1.00 0.00 H new ATOM 365 N THR A 23 -5.092 7.580 -10.629 1.00 0.00 N ATOM 366 CA THR A 23 -4.478 6.997 -11.810 1.00 0.00 C ATOM 367 C THR A 23 -3.049 6.546 -11.501 1.00 0.00 C ATOM 368 O THR A 23 -2.641 6.517 -10.341 1.00 0.00 O ATOM 369 CB THR A 23 -4.560 8.025 -12.941 1.00 0.00 C ATOM 370 OG1 THR A 23 -3.988 9.204 -12.380 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.000 8.426 -13.265 1.00 0.00 C ATOM 0 H THR A 23 -5.478 8.514 -10.766 1.00 0.00 H new ATOM 0 HA THR A 23 -5.007 6.099 -12.128 1.00 0.00 H new ATOM 0 HB THR A 23 -4.087 7.619 -13.835 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.999 9.922 -13.047 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.001 9.157 -14.074 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.563 7.544 -13.572 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.464 8.863 -12.381 1.00 0.00 H new ATOM 379 N ASN A 24 -2.329 6.204 -12.559 1.00 0.00 N ATOM 380 CA ASN A 24 -0.955 5.755 -12.416 1.00 0.00 C ATOM 381 C ASN A 24 -0.069 6.947 -12.049 1.00 0.00 C ATOM 382 O ASN A 24 0.820 6.829 -11.207 1.00 0.00 O ATOM 383 CB ASN A 24 -0.430 5.162 -13.725 1.00 0.00 C ATOM 384 CG ASN A 24 -1.322 4.015 -14.204 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.022 3.376 -13.435 1.00 0.00 O ATOM 386 ND2 ASN A 24 -1.258 3.790 -15.513 1.00 0.00 N ATOM 0 H ASN A 24 -2.672 6.229 -13.519 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.929 4.992 -11.638 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.388 5.938 -14.489 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.588 4.800 -13.582 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.816 3.045 -15.930 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.651 4.362 -16.100 1.00 0.00 H new ATOM 393 N ASN A 25 -0.343 8.069 -12.698 1.00 0.00 N ATOM 394 CA ASN A 25 0.418 9.282 -12.450 1.00 0.00 C ATOM 395 C ASN A 25 0.044 9.842 -11.076 1.00 0.00 C ATOM 396 O ASN A 25 0.681 10.774 -10.588 1.00 0.00 O ATOM 397 CB ASN A 25 0.105 10.352 -13.498 1.00 0.00 C ATOM 398 CG ASN A 25 -1.354 10.801 -13.405 1.00 0.00 C ATOM 399 OD1 ASN A 25 -1.859 11.143 -12.348 1.00 0.00 O ATOM 400 ND2 ASN A 25 -2.002 10.780 -14.566 1.00 0.00 N ATOM 0 H ASN A 25 -1.081 8.164 -13.395 1.00 0.00 H new ATOM 0 HA ASN A 25 1.478 9.031 -12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.763 11.209 -13.355 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.305 9.959 -14.495 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.982 11.061 -14.608 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.519 10.483 -15.414 1.00 0.00 H new ATOM 407 N ALA A 26 -0.986 9.249 -10.492 1.00 0.00 N ATOM 408 CA ALA A 26 -1.452 9.677 -9.184 1.00 0.00 C ATOM 409 C ALA A 26 -0.322 9.514 -8.166 1.00 0.00 C ATOM 410 O ALA A 26 0.248 8.432 -8.034 1.00 0.00 O ATOM 411 CB ALA A 26 -2.701 8.879 -8.801 1.00 0.00 C ATOM 0 H ALA A 26 -1.511 8.476 -10.900 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.730 10.731 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.051 9.200 -7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.484 9.052 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.459 7.817 -8.770 1.00 0.00 H new ATOM 417 N SER A 27 -0.031 10.605 -7.472 1.00 0.00 N ATOM 418 CA SER A 27 1.021 10.597 -6.470 1.00 0.00 C ATOM 419 C SER A 27 0.415 10.744 -5.073 1.00 0.00 C ATOM 420 O SER A 27 -0.806 10.739 -4.919 1.00 0.00 O ATOM 421 CB SER A 27 2.036 11.712 -6.728 1.00 0.00 C ATOM 422 OG SER A 27 3.048 11.311 -7.648 1.00 0.00 O ATOM 0 H SER A 27 -0.506 11.501 -7.584 1.00 0.00 H new ATOM 0 HA SER A 27 1.545 9.643 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.519 12.589 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.499 12.006 -5.786 1.00 0.00 H new ATOM 0 HG SER A 27 3.472 10.487 -7.329 1.00 0.00 H new ATOM 428 N PHE A 28 1.295 10.870 -4.091 1.00 0.00 N ATOM 429 CA PHE A 28 0.861 11.018 -2.712 1.00 0.00 C ATOM 430 C PHE A 28 1.078 12.450 -2.220 1.00 0.00 C ATOM 431 O PHE A 28 0.159 13.075 -1.691 1.00 0.00 O ATOM 432 CB PHE A 28 1.715 10.068 -1.871 1.00 0.00 C ATOM 433 CG PHE A 28 1.404 8.587 -2.097 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.410 7.985 -1.391 1.00 0.00 C ATOM 435 CD2 PHE A 28 2.123 7.872 -3.004 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.121 6.610 -1.600 1.00 0.00 C ATOM 437 CE2 PHE A 28 1.834 6.497 -3.213 1.00 0.00 C ATOM 438 CZ PHE A 28 0.840 5.896 -2.507 1.00 0.00 C ATOM 0 H PHE A 28 2.306 10.873 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.202 10.791 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.767 10.246 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.570 10.302 -0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.160 8.553 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.913 8.349 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.669 6.132 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.404 5.929 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.621 4.851 -2.667 1.00 0.00 H new ATOM 448 N VAL A 29 2.298 12.930 -2.411 1.00 0.00 N ATOM 449 CA VAL A 29 2.647 14.277 -1.993 1.00 0.00 C ATOM 450 C VAL A 29 2.097 15.280 -3.009 1.00 0.00 C ATOM 451 O VAL A 29 1.948 16.462 -2.702 1.00 0.00 O ATOM 452 CB VAL A 29 4.161 14.390 -1.802 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.525 15.675 -1.056 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.716 13.160 -1.080 1.00 0.00 C ATOM 0 H VAL A 29 3.058 12.410 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 29 2.193 14.507 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 29 4.621 14.434 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.607 15.731 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.180 16.537 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.048 15.674 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.794 13.266 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.246 13.070 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.504 12.267 -1.667 1.00 0.00 H new ATOM 464 N GLU A 30 1.808 14.772 -4.198 1.00 0.00 N ATOM 465 CA GLU A 30 1.277 15.609 -5.261 1.00 0.00 C ATOM 466 C GLU A 30 -0.252 15.559 -5.261 1.00 0.00 C ATOM 467 O GLU A 30 -0.901 16.334 -5.961 1.00 0.00 O ATOM 468 CB GLU A 30 1.840 15.191 -6.621 1.00 0.00 C ATOM 469 CG GLU A 30 2.740 16.283 -7.201 1.00 0.00 C ATOM 470 CD GLU A 30 2.937 16.089 -8.706 1.00 0.00 C ATOM 471 OE1 GLU A 30 2.453 16.905 -9.505 1.00 0.00 O ATOM 472 OE2 GLU A 30 3.622 15.047 -9.036 1.00 0.00 O ATOM 0 H GLU A 30 1.931 13.791 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 30 1.588 16.638 -5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.407 14.266 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.021 14.986 -7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.299 17.262 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.707 16.267 -6.699 1.00 0.00 H new ATOM 480 N ASP A 31 -0.783 14.640 -4.468 1.00 0.00 N ATOM 481 CA ASP A 31 -2.223 14.479 -4.368 1.00 0.00 C ATOM 482 C ASP A 31 -2.646 14.610 -2.904 1.00 0.00 C ATOM 483 O ASP A 31 -3.254 15.606 -2.516 1.00 0.00 O ATOM 484 CB ASP A 31 -2.659 13.100 -4.865 1.00 0.00 C ATOM 485 CG ASP A 31 -4.156 12.808 -4.734 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.941 13.675 -4.323 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.511 11.617 -5.080 1.00 0.00 O ATOM 0 H ASP A 31 -0.241 13.999 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.692 15.248 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.375 13.002 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.106 12.340 -4.313 1.00 0.00 H new ATOM 493 N LEU A 32 -2.308 13.588 -2.130 1.00 0.00 N ATOM 494 CA LEU A 32 -2.645 13.576 -0.717 1.00 0.00 C ATOM 495 C LEU A 32 -1.513 14.230 0.079 1.00 0.00 C ATOM 496 O LEU A 32 -1.338 13.946 1.262 1.00 0.00 O ATOM 497 CB LEU A 32 -2.979 12.156 -0.258 1.00 0.00 C ATOM 498 CG LEU A 32 -4.457 11.763 -0.311 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.677 10.372 0.285 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.329 12.822 0.367 1.00 0.00 C ATOM 0 H LEU A 32 -1.804 12.763 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.544 14.165 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.415 11.455 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.628 12.035 0.767 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.761 11.716 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.736 10.118 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.101 9.639 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.352 10.366 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.375 12.519 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.031 12.925 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.203 13.778 -0.142 1.00 0.00 H new ATOM 512 N GLY A 33 -0.775 15.092 -0.604 1.00 0.00 N ATOM 513 CA GLY A 33 0.335 15.788 0.024 1.00 0.00 C ATOM 514 C GLY A 33 1.065 14.876 1.013 1.00 0.00 C ATOM 515 O GLY A 33 1.627 15.348 2.000 1.00 0.00 O ATOM 0 H GLY A 33 -0.924 15.324 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.031 16.133 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.033 16.673 0.543 1.00 0.00 H new ATOM 519 N ALA A 34 1.033 13.586 0.713 1.00 0.00 N ATOM 520 CA ALA A 34 1.685 12.604 1.562 1.00 0.00 C ATOM 521 C ALA A 34 1.025 12.612 2.943 1.00 0.00 C ATOM 522 O ALA A 34 1.049 13.625 3.640 1.00 0.00 O ATOM 523 CB ALA A 34 3.184 12.902 1.631 1.00 0.00 C ATOM 0 H ALA A 34 0.566 13.198 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 34 1.571 11.603 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.673 12.165 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.611 12.855 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.338 13.898 2.045 1.00 0.00 H new ATOM 529 N ASP A 35 0.452 11.471 3.296 1.00 0.00 N ATOM 530 CA ASP A 35 -0.213 11.334 4.581 1.00 0.00 C ATOM 531 C ASP A 35 0.407 10.165 5.349 1.00 0.00 C ATOM 532 O ASP A 35 1.031 9.288 4.754 1.00 0.00 O ATOM 533 CB ASP A 35 -1.704 11.044 4.401 1.00 0.00 C ATOM 534 CG ASP A 35 -2.592 11.477 5.569 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.045 10.645 6.370 1.00 0.00 O ATOM 536 OD2 ASP A 35 -2.819 12.745 5.642 1.00 0.00 O ATOM 0 H ASP A 35 0.434 10.633 2.715 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.091 12.270 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.050 11.544 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.834 9.973 4.243 1.00 0.00 H new ATOM 542 N SER A 36 0.213 10.190 6.660 1.00 0.00 N ATOM 543 CA SER A 36 0.744 9.143 7.515 1.00 0.00 C ATOM 544 C SER A 36 0.048 7.815 7.212 1.00 0.00 C ATOM 545 O SER A 36 0.706 6.814 6.933 1.00 0.00 O ATOM 546 CB SER A 36 0.580 9.503 8.993 1.00 0.00 C ATOM 547 OG SER A 36 1.651 10.316 9.467 1.00 0.00 O ATOM 0 H SER A 36 -0.305 10.919 7.150 1.00 0.00 H new ATOM 0 HA SER A 36 1.810 9.042 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.364 10.028 9.135 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.529 8.589 9.585 1.00 0.00 H new ATOM 0 HG SER A 36 1.508 10.525 10.414 1.00 0.00 H new ATOM 553 N LEU A 37 -1.275 7.849 7.276 1.00 0.00 N ATOM 554 CA LEU A 37 -2.068 6.661 7.012 1.00 0.00 C ATOM 555 C LEU A 37 -1.733 6.129 5.617 1.00 0.00 C ATOM 556 O LEU A 37 -1.925 4.947 5.337 1.00 0.00 O ATOM 557 CB LEU A 37 -3.556 6.953 7.218 1.00 0.00 C ATOM 558 CG LEU A 37 -3.937 7.580 8.560 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.383 8.080 8.541 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.683 6.605 9.712 1.00 0.00 C ATOM 0 H LEU A 37 -1.818 8.681 7.507 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.820 5.872 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.889 7.618 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.108 6.020 7.106 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.298 8.448 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.628 8.521 9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.498 8.831 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.054 7.244 8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.962 7.075 10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.280 5.705 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.626 6.340 9.738 1.00 0.00 H new ATOM 572 N ASP A 38 -1.238 7.028 4.779 1.00 0.00 N ATOM 573 CA ASP A 38 -0.874 6.664 3.420 1.00 0.00 C ATOM 574 C ASP A 38 0.452 5.901 3.439 1.00 0.00 C ATOM 575 O ASP A 38 0.530 4.774 2.953 1.00 0.00 O ATOM 576 CB ASP A 38 -0.692 7.908 2.547 1.00 0.00 C ATOM 577 CG ASP A 38 -1.811 8.156 1.534 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.511 9.178 1.592 1.00 0.00 O ATOM 579 OD2 ASP A 38 -1.954 7.234 0.643 1.00 0.00 O ATOM 0 H ASP A 38 -1.080 8.008 5.015 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.675 6.049 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.610 8.780 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.252 7.821 2.009 1.00 0.00 H new ATOM 585 N THR A 39 1.462 6.547 4.005 1.00 0.00 N ATOM 586 CA THR A 39 2.780 5.943 4.093 1.00 0.00 C ATOM 587 C THR A 39 2.736 4.691 4.971 1.00 0.00 C ATOM 588 O THR A 39 3.592 3.816 4.855 1.00 0.00 O ATOM 589 CB THR A 39 3.755 7.007 4.600 1.00 0.00 C ATOM 590 OG1 THR A 39 3.868 7.921 3.513 1.00 0.00 O ATOM 591 CG2 THR A 39 5.174 6.464 4.781 1.00 0.00 C ATOM 0 H THR A 39 1.393 7.482 4.407 1.00 0.00 H new ATOM 0 HA THR A 39 3.125 5.604 3.116 1.00 0.00 H new ATOM 0 HB THR A 39 3.396 7.405 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.481 8.645 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.825 7.260 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.162 5.649 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.547 6.096 3.825 1.00 0.00 H new ATOM 599 N VAL A 40 1.729 4.646 5.831 1.00 0.00 N ATOM 600 CA VAL A 40 1.562 3.516 6.729 1.00 0.00 C ATOM 601 C VAL A 40 0.760 2.422 6.022 1.00 0.00 C ATOM 602 O VAL A 40 1.091 1.242 6.121 1.00 0.00 O ATOM 603 CB VAL A 40 0.918 3.978 8.038 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.401 2.786 8.846 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.895 4.818 8.863 1.00 0.00 C ATOM 0 H VAL A 40 1.021 5.374 5.925 1.00 0.00 H new ATOM 0 HA VAL A 40 2.531 3.091 6.991 1.00 0.00 H new ATOM 0 HB VAL A 40 0.064 4.607 7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.052 3.143 9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.344 2.246 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.230 2.119 9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.412 5.134 9.788 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.777 4.223 9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.192 5.697 8.291 1.00 0.00 H new ATOM 615 N GLU A 41 -0.281 2.853 5.324 1.00 0.00 N ATOM 616 CA GLU A 41 -1.133 1.925 4.600 1.00 0.00 C ATOM 617 C GLU A 41 -0.329 1.197 3.522 1.00 0.00 C ATOM 618 O GLU A 41 -0.697 0.101 3.102 1.00 0.00 O ATOM 619 CB GLU A 41 -2.337 2.647 3.993 1.00 0.00 C ATOM 620 CG GLU A 41 -3.447 2.832 5.030 1.00 0.00 C ATOM 621 CD GLU A 41 -4.556 1.795 4.837 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.729 2.165 4.682 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.163 0.567 4.852 1.00 0.00 O ATOM 0 H GLU A 41 -0.554 3.833 5.245 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.512 1.184 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.027 3.619 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.718 2.077 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.031 2.742 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.864 3.836 4.947 1.00 0.00 H new ATOM 631 N LEU A 42 0.754 1.836 3.103 1.00 0.00 N ATOM 632 CA LEU A 42 1.614 1.262 2.082 1.00 0.00 C ATOM 633 C LEU A 42 2.449 0.138 2.697 1.00 0.00 C ATOM 634 O LEU A 42 2.767 -0.843 2.026 1.00 0.00 O ATOM 635 CB LEU A 42 2.450 2.353 1.411 1.00 0.00 C ATOM 636 CG LEU A 42 2.642 2.217 -0.101 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.190 3.485 -0.828 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.087 1.847 -0.439 1.00 0.00 C ATOM 0 H LEU A 42 1.055 2.746 3.452 1.00 0.00 H new ATOM 0 HA LEU A 42 1.016 0.816 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.982 3.317 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.433 2.371 1.882 1.00 0.00 H new ATOM 0 HG LEU A 42 2.010 1.402 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.337 3.361 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.134 3.664 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.776 4.334 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.196 1.757 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.757 2.624 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.339 0.897 0.032 1.00 0.00 H new ATOM 650 N VAL A 43 2.782 0.318 3.967 1.00 0.00 N ATOM 651 CA VAL A 43 3.574 -0.670 4.680 1.00 0.00 C ATOM 652 C VAL A 43 2.669 -1.819 5.126 1.00 0.00 C ATOM 653 O VAL A 43 3.133 -2.942 5.318 1.00 0.00 O ATOM 654 CB VAL A 43 4.314 -0.005 5.843 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.303 -0.978 6.490 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.022 1.272 5.385 1.00 0.00 C ATOM 0 H VAL A 43 2.518 1.133 4.520 1.00 0.00 H new ATOM 0 HA VAL A 43 4.336 -1.093 4.026 1.00 0.00 H new ATOM 0 HB VAL A 43 3.576 0.273 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.816 -0.481 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.764 -1.846 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.034 -1.300 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.540 1.724 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.744 1.028 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.287 1.974 4.992 1.00 0.00 H new ATOM 666 N MET A 44 1.392 -1.499 5.279 1.00 0.00 N ATOM 667 CA MET A 44 0.417 -2.491 5.699 1.00 0.00 C ATOM 668 C MET A 44 -0.233 -3.167 4.490 1.00 0.00 C ATOM 669 O MET A 44 -0.498 -4.368 4.514 1.00 0.00 O ATOM 670 CB MET A 44 -0.662 -1.818 6.550 1.00 0.00 C ATOM 671 CG MET A 44 -0.102 -1.390 7.907 1.00 0.00 C ATOM 672 SD MET A 44 -0.343 -2.691 9.105 1.00 0.00 S ATOM 673 CE MET A 44 0.010 -1.798 10.609 1.00 0.00 C ATOM 0 H MET A 44 1.010 -0.567 5.120 1.00 0.00 H new ATOM 0 HA MET A 44 0.931 -3.253 6.285 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.055 -0.948 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.495 -2.505 6.697 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.960 -1.161 7.816 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.597 -0.479 8.243 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.095 -2.467 11.463 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.029 -1.413 10.573 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.688 -0.967 10.711 1.00 0.00 H new ATOM 683 N ALA A 45 -0.471 -2.367 3.462 1.00 0.00 N ATOM 684 CA ALA A 45 -1.085 -2.872 2.246 1.00 0.00 C ATOM 685 C ALA A 45 -0.149 -3.890 1.592 1.00 0.00 C ATOM 686 O ALA A 45 -0.577 -4.980 1.216 1.00 0.00 O ATOM 687 CB ALA A 45 -1.416 -1.703 1.316 1.00 0.00 C ATOM 0 H ALA A 45 -0.250 -1.371 3.446 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.021 -3.382 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.877 -2.083 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.107 -1.025 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.500 -1.168 1.064 1.00 0.00 H new ATOM 693 N LEU A 46 1.111 -3.498 1.477 1.00 0.00 N ATOM 694 CA LEU A 46 2.112 -4.363 0.875 1.00 0.00 C ATOM 695 C LEU A 46 2.372 -5.555 1.799 1.00 0.00 C ATOM 696 O LEU A 46 2.822 -6.607 1.349 1.00 0.00 O ATOM 697 CB LEU A 46 3.371 -3.566 0.530 1.00 0.00 C ATOM 698 CG LEU A 46 3.280 -2.670 -0.707 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.499 -1.751 -0.809 1.00 0.00 C ATOM 700 CD2 LEU A 46 3.084 -3.504 -1.975 1.00 0.00 C ATOM 0 H LEU A 46 1.462 -2.593 1.790 1.00 0.00 H new ATOM 0 HA LEU A 46 1.749 -4.766 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.629 -2.944 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.193 -4.267 0.386 1.00 0.00 H new ATOM 0 HG LEU A 46 2.403 -2.032 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.409 -1.125 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.553 -1.119 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.404 -2.354 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.022 -2.843 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.927 -4.184 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.162 -4.080 -1.893 1.00 0.00 H new ATOM 712 N GLU A 47 2.078 -5.349 3.074 1.00 0.00 N ATOM 713 CA GLU A 47 2.275 -6.393 4.066 1.00 0.00 C ATOM 714 C GLU A 47 1.130 -7.407 4.003 1.00 0.00 C ATOM 715 O GLU A 47 1.366 -8.608 3.881 1.00 0.00 O ATOM 716 CB GLU A 47 2.404 -5.799 5.470 1.00 0.00 C ATOM 717 CG GLU A 47 3.867 -5.761 5.916 1.00 0.00 C ATOM 718 CD GLU A 47 4.067 -6.551 7.210 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.511 -7.708 7.168 1.00 0.00 O ATOM 720 OE2 GLU A 47 3.743 -5.922 8.289 1.00 0.00 O ATOM 0 H GLU A 47 1.705 -4.475 3.443 1.00 0.00 H new ATOM 0 HA GLU A 47 3.207 -6.911 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.990 -4.791 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.820 -6.391 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.501 -6.175 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.179 -4.727 6.065 1.00 0.00 H new ATOM 728 N GLU A 48 -0.085 -6.886 4.088 1.00 0.00 N ATOM 729 CA GLU A 48 -1.266 -7.731 4.043 1.00 0.00 C ATOM 730 C GLU A 48 -1.358 -8.442 2.691 1.00 0.00 C ATOM 731 O GLU A 48 -2.143 -9.375 2.529 1.00 0.00 O ATOM 732 CB GLU A 48 -2.532 -6.918 4.322 1.00 0.00 C ATOM 733 CG GLU A 48 -3.528 -7.725 5.158 1.00 0.00 C ATOM 734 CD GLU A 48 -4.892 -7.794 4.470 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.989 -7.545 3.259 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.875 -8.123 5.239 1.00 0.00 O ATOM 0 H GLU A 48 -0.277 -5.889 4.188 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.179 -8.486 4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.270 -6.000 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.996 -6.625 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.144 -8.733 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.636 -7.269 6.142 1.00 0.00 H new ATOM 744 N GLU A 49 -0.544 -7.975 1.756 1.00 0.00 N ATOM 745 CA GLU A 49 -0.524 -8.554 0.423 1.00 0.00 C ATOM 746 C GLU A 49 0.373 -9.794 0.398 1.00 0.00 C ATOM 747 O GLU A 49 -0.118 -10.917 0.302 1.00 0.00 O ATOM 748 CB GLU A 49 -0.069 -7.527 -0.615 1.00 0.00 C ATOM 749 CG GLU A 49 -0.653 -7.844 -1.993 1.00 0.00 C ATOM 750 CD GLU A 49 0.436 -8.332 -2.951 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.450 -7.644 -3.137 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.200 -9.470 -3.511 1.00 0.00 O ATOM 0 H GLU A 49 0.107 -7.202 1.895 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.538 -8.857 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.380 -6.529 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.020 -7.519 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.427 -8.606 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.131 -6.954 -2.403 1.00 0.00 H new ATOM 760 N PHE A 50 1.671 -9.547 0.485 1.00 0.00 N ATOM 761 CA PHE A 50 2.641 -10.629 0.473 1.00 0.00 C ATOM 762 C PHE A 50 3.462 -10.644 1.764 1.00 0.00 C ATOM 763 O PHE A 50 4.300 -11.523 1.961 1.00 0.00 O ATOM 764 CB PHE A 50 3.578 -10.377 -0.710 1.00 0.00 C ATOM 765 CG PHE A 50 3.297 -11.263 -1.926 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.653 -12.576 -1.907 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.693 -10.738 -3.025 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.392 -13.398 -3.035 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.432 -11.560 -4.153 1.00 0.00 C ATOM 770 CZ PHE A 50 2.788 -12.873 -4.134 1.00 0.00 C ATOM 0 H PHE A 50 2.074 -8.613 0.564 1.00 0.00 H new ATOM 0 HA PHE A 50 2.128 -11.587 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.497 -9.332 -1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.606 -10.537 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.134 -12.993 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.412 -9.695 -3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.673 -14.441 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.951 -11.143 -5.026 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.591 -13.498 -4.992 1.00 0.00 H new ATOM 780 N ASP A 51 3.193 -9.661 2.610 1.00 0.00 N ATOM 781 CA ASP A 51 3.896 -9.550 3.876 1.00 0.00 C ATOM 782 C ASP A 51 5.385 -9.320 3.610 1.00 0.00 C ATOM 783 O ASP A 51 6.173 -10.264 3.612 1.00 0.00 O ATOM 784 CB ASP A 51 3.756 -10.833 4.698 1.00 0.00 C ATOM 785 CG ASP A 51 4.403 -10.787 6.084 1.00 0.00 C ATOM 786 OD1 ASP A 51 3.748 -11.049 7.104 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.651 -10.460 6.093 1.00 0.00 O ATOM 0 H ASP A 51 2.497 -8.934 2.443 1.00 0.00 H new ATOM 0 HA ASP A 51 3.463 -8.717 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.696 -11.057 4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.196 -11.657 4.136 1.00 0.00 H new ATOM 793 N THR A 52 5.726 -8.059 3.386 1.00 0.00 N ATOM 794 CA THR A 52 7.106 -7.693 3.118 1.00 0.00 C ATOM 795 C THR A 52 7.527 -6.516 4.001 1.00 0.00 C ATOM 796 O THR A 52 8.628 -6.509 4.549 1.00 0.00 O ATOM 797 CB THR A 52 7.237 -7.406 1.621 1.00 0.00 C ATOM 798 OG1 THR A 52 8.631 -7.182 1.431 1.00 0.00 O ATOM 799 CG2 THR A 52 6.588 -6.080 1.219 1.00 0.00 C ATOM 0 H THR A 52 5.070 -7.278 3.385 1.00 0.00 H new ATOM 0 HA THR A 52 7.786 -8.507 3.369 1.00 0.00 H new ATOM 0 HB THR A 52 6.782 -8.219 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.806 -6.990 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.710 -5.926 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.526 -6.106 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.065 -5.263 1.760 1.00 0.00 H new ATOM 807 N GLU A 53 6.627 -5.549 4.111 1.00 0.00 N ATOM 808 CA GLU A 53 6.891 -4.370 4.918 1.00 0.00 C ATOM 809 C GLU A 53 7.759 -3.378 4.140 1.00 0.00 C ATOM 810 O GLU A 53 8.975 -3.336 4.322 1.00 0.00 O ATOM 811 CB GLU A 53 7.549 -4.750 6.246 1.00 0.00 C ATOM 812 CG GLU A 53 6.850 -5.955 6.879 1.00 0.00 C ATOM 813 CD GLU A 53 7.870 -6.973 7.392 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.638 -6.669 8.317 1.00 0.00 O ATOM 815 OE2 GLU A 53 7.847 -8.116 6.796 1.00 0.00 O ATOM 0 H GLU A 53 5.715 -5.558 3.655 1.00 0.00 H new ATOM 0 HA GLU A 53 5.940 -3.890 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.602 -4.981 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.511 -3.902 6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.218 -5.622 7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.196 -6.427 6.146 1.00 0.00 H new ATOM 823 N ILE A 54 7.100 -2.604 3.290 1.00 0.00 N ATOM 824 CA ILE A 54 7.796 -1.615 2.484 1.00 0.00 C ATOM 825 C ILE A 54 8.465 -0.593 3.405 1.00 0.00 C ATOM 826 O ILE A 54 7.850 -0.112 4.355 1.00 0.00 O ATOM 827 CB ILE A 54 6.844 -0.992 1.461 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.619 -0.383 0.291 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.916 0.027 2.126 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.061 1.046 0.610 1.00 0.00 C ATOM 0 H ILE A 54 6.092 -2.642 3.142 1.00 0.00 H new ATOM 0 HA ILE A 54 8.588 -2.086 1.902 1.00 0.00 H new ATOM 0 HB ILE A 54 6.215 -1.783 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.492 -0.997 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.995 -0.383 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.250 0.455 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.325 -0.468 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.511 0.820 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.610 1.455 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.184 1.663 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.705 1.040 1.490 1.00 0.00 H new ATOM 842 N PRO A 55 9.749 -0.283 3.082 1.00 0.00 N ATOM 843 CA PRO A 55 10.509 0.673 3.870 1.00 0.00 C ATOM 844 C PRO A 55 10.054 2.105 3.580 1.00 0.00 C ATOM 845 O PRO A 55 8.967 2.319 3.045 1.00 0.00 O ATOM 846 CB PRO A 55 11.961 0.424 3.497 1.00 0.00 C ATOM 847 CG PRO A 55 11.930 -0.336 2.181 1.00 0.00 C ATOM 848 CD PRO A 55 10.510 -0.833 1.964 1.00 0.00 C ATOM 0 HA PRO A 55 10.361 0.548 4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.504 1.363 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.469 -0.153 4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.238 0.311 1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.628 -1.173 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.113 -0.491 1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.469 -1.922 1.955 1.00 0.00 H new ATOM 856 N ASP A 56 10.909 3.049 3.946 1.00 0.00 N ATOM 857 CA ASP A 56 10.609 4.455 3.733 1.00 0.00 C ATOM 858 C ASP A 56 11.310 4.934 2.460 1.00 0.00 C ATOM 859 O ASP A 56 10.902 5.925 1.858 1.00 0.00 O ATOM 860 CB ASP A 56 11.110 5.308 4.899 1.00 0.00 C ATOM 861 CG ASP A 56 10.062 6.235 5.519 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.852 6.052 5.323 1.00 0.00 O ATOM 863 OD2 ASP A 56 10.540 7.192 6.241 1.00 0.00 O ATOM 0 H ASP A 56 11.810 2.868 4.389 1.00 0.00 H new ATOM 0 HA ASP A 56 9.527 4.560 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.493 4.646 5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.949 5.912 4.553 1.00 0.00 H new ATOM 869 N GLU A 57 12.354 4.207 2.089 1.00 0.00 N ATOM 870 CA GLU A 57 13.116 4.545 0.899 1.00 0.00 C ATOM 871 C GLU A 57 12.347 4.135 -0.359 1.00 0.00 C ATOM 872 O GLU A 57 12.181 4.935 -1.278 1.00 0.00 O ATOM 873 CB GLU A 57 14.501 3.895 0.931 1.00 0.00 C ATOM 874 CG GLU A 57 15.594 4.944 1.142 1.00 0.00 C ATOM 875 CD GLU A 57 16.603 4.480 2.195 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.397 4.714 3.395 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.630 3.855 1.728 1.00 0.00 O ATOM 0 H GLU A 57 12.690 3.385 2.592 1.00 0.00 H new ATOM 0 HA GLU A 57 13.258 5.625 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.542 3.156 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.678 3.363 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.108 5.134 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.144 5.886 1.455 1.00 0.00 H new ATOM 885 N GLU A 58 11.898 2.888 -0.359 1.00 0.00 N ATOM 886 CA GLU A 58 11.150 2.362 -1.488 1.00 0.00 C ATOM 887 C GLU A 58 9.858 3.157 -1.686 1.00 0.00 C ATOM 888 O GLU A 58 9.212 3.051 -2.727 1.00 0.00 O ATOM 889 CB GLU A 58 10.855 0.872 -1.304 1.00 0.00 C ATOM 890 CG GLU A 58 11.581 0.035 -2.360 1.00 0.00 C ATOM 891 CD GLU A 58 11.147 -1.430 -2.291 1.00 0.00 C ATOM 892 OE1 GLU A 58 10.020 -1.762 -2.687 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.028 -2.238 -1.805 1.00 0.00 O ATOM 0 H GLU A 58 12.038 2.227 0.405 1.00 0.00 H new ATOM 0 HA GLU A 58 11.760 2.470 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.166 0.556 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.781 0.699 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.371 0.434 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.658 0.107 -2.209 1.00 0.00 H new ATOM 901 N ALA A 59 9.518 3.935 -0.669 1.00 0.00 N ATOM 902 CA ALA A 59 8.314 4.748 -0.717 1.00 0.00 C ATOM 903 C ALA A 59 8.445 5.779 -1.839 1.00 0.00 C ATOM 904 O ALA A 59 7.539 5.930 -2.658 1.00 0.00 O ATOM 905 CB ALA A 59 8.081 5.398 0.648 1.00 0.00 C ATOM 0 H ALA A 59 10.055 4.020 0.194 1.00 0.00 H new ATOM 0 HA ALA A 59 7.443 4.131 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.178 6.008 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.965 4.623 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.934 6.028 0.901 1.00 0.00 H new ATOM 911 N GLU A 60 9.580 6.463 -1.842 1.00 0.00 N ATOM 912 CA GLU A 60 9.841 7.476 -2.850 1.00 0.00 C ATOM 913 C GLU A 60 9.708 6.877 -4.251 1.00 0.00 C ATOM 914 O GLU A 60 9.177 7.519 -5.157 1.00 0.00 O ATOM 915 CB GLU A 60 11.222 8.105 -2.651 1.00 0.00 C ATOM 916 CG GLU A 60 11.110 9.614 -2.425 1.00 0.00 C ATOM 917 CD GLU A 60 12.406 10.178 -1.838 1.00 0.00 C ATOM 918 OE1 GLU A 60 13.194 9.428 -1.242 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.581 11.443 -2.019 1.00 0.00 O ATOM 0 H GLU A 60 10.329 6.335 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 60 9.099 8.267 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.717 7.642 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.844 7.910 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.888 10.111 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.280 9.824 -1.751 1.00 0.00 H new ATOM 927 N LYS A 61 10.199 5.654 -4.386 1.00 0.00 N ATOM 928 CA LYS A 61 10.142 4.961 -5.662 1.00 0.00 C ATOM 929 C LYS A 61 8.717 4.455 -5.899 1.00 0.00 C ATOM 930 O LYS A 61 8.430 3.864 -6.939 1.00 0.00 O ATOM 931 CB LYS A 61 11.203 3.861 -5.723 1.00 0.00 C ATOM 932 CG LYS A 61 12.102 4.033 -6.949 1.00 0.00 C ATOM 933 CD LYS A 61 12.329 2.695 -7.655 1.00 0.00 C ATOM 934 CE LYS A 61 12.177 2.842 -9.170 1.00 0.00 C ATOM 935 NZ LYS A 61 12.628 1.611 -9.858 1.00 0.00 N ATOM 0 H LYS A 61 10.638 5.125 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 61 10.378 5.645 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.809 3.885 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.719 2.885 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.647 4.741 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.060 4.455 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.325 2.320 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.616 1.958 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.135 3.044 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.759 3.695 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.518 1.728 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.628 1.435 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.055 0.804 -9.538 1.00 0.00 H new ATOM 948 N ILE A 62 7.864 4.706 -4.918 1.00 0.00 N ATOM 949 CA ILE A 62 6.476 4.283 -5.006 1.00 0.00 C ATOM 950 C ILE A 62 5.566 5.452 -4.625 1.00 0.00 C ATOM 951 O ILE A 62 4.495 5.249 -4.055 1.00 0.00 O ATOM 952 CB ILE A 62 6.245 3.024 -4.167 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.287 1.951 -4.490 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.816 2.506 -4.338 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.409 0.943 -3.345 1.00 0.00 C ATOM 0 H ILE A 62 8.106 5.197 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 62 6.227 4.005 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 62 6.368 3.286 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.008 1.433 -5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.254 2.421 -4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.678 1.611 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.110 3.273 -4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.640 2.264 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.156 0.191 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.712 1.461 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.446 0.458 -3.183 1.00 0.00 H new ATOM 967 N THR A 63 6.025 6.650 -4.955 1.00 0.00 N ATOM 968 CA THR A 63 5.266 7.851 -4.654 1.00 0.00 C ATOM 969 C THR A 63 4.094 7.998 -5.627 1.00 0.00 C ATOM 970 O THR A 63 3.359 8.983 -5.574 1.00 0.00 O ATOM 971 CB THR A 63 6.230 9.039 -4.681 1.00 0.00 C ATOM 972 OG1 THR A 63 5.381 10.178 -4.569 1.00 0.00 O ATOM 973 CG2 THR A 63 6.909 9.212 -6.041 1.00 0.00 C ATOM 0 H THR A 63 6.914 6.814 -5.428 1.00 0.00 H new ATOM 0 HA THR A 63 4.820 7.799 -3.661 1.00 0.00 H new ATOM 0 HB THR A 63 6.990 8.907 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.445 9.888 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.582 10.069 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.478 8.313 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.152 9.377 -6.807 1.00 0.00 H new ATOM 981 N THR A 64 3.956 7.004 -6.492 1.00 0.00 N ATOM 982 CA THR A 64 2.885 7.011 -7.475 1.00 0.00 C ATOM 983 C THR A 64 1.862 5.919 -7.156 1.00 0.00 C ATOM 984 O THR A 64 1.661 5.572 -5.993 1.00 0.00 O ATOM 985 CB THR A 64 3.516 6.866 -8.861 1.00 0.00 C ATOM 986 OG1 THR A 64 3.862 5.486 -8.943 1.00 0.00 O ATOM 987 CG2 THR A 64 4.857 7.594 -8.973 1.00 0.00 C ATOM 0 H THR A 64 4.567 6.189 -6.533 1.00 0.00 H new ATOM 0 HA THR A 64 2.331 7.949 -7.450 1.00 0.00 H new ATOM 0 HB THR A 64 2.829 7.252 -9.614 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.816 5.192 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.262 7.459 -9.976 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.711 8.657 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.555 7.185 -8.242 1.00 0.00 H new ATOM 995 N VAL A 65 1.242 5.408 -8.209 1.00 0.00 N ATOM 996 CA VAL A 65 0.244 4.363 -8.056 1.00 0.00 C ATOM 997 C VAL A 65 0.718 3.101 -8.780 1.00 0.00 C ATOM 998 O VAL A 65 0.825 2.036 -8.175 1.00 0.00 O ATOM 999 CB VAL A 65 -1.115 4.861 -8.550 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.043 3.689 -8.877 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.759 5.801 -7.529 1.00 0.00 C ATOM 0 H VAL A 65 1.411 5.698 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 65 0.118 4.106 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.951 5.425 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.002 4.071 -9.226 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.592 3.074 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.196 3.086 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.724 6.141 -7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.902 5.272 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.110 6.661 -7.367 1.00 0.00 H new ATOM 1011 N GLN A 66 0.990 3.263 -10.067 1.00 0.00 N ATOM 1012 CA GLN A 66 1.450 2.151 -10.881 1.00 0.00 C ATOM 1013 C GLN A 66 2.824 1.676 -10.403 1.00 0.00 C ATOM 1014 O GLN A 66 3.306 0.629 -10.831 1.00 0.00 O ATOM 1015 CB GLN A 66 1.487 2.533 -12.362 1.00 0.00 C ATOM 1016 CG GLN A 66 1.680 1.296 -13.242 1.00 0.00 C ATOM 1017 CD GLN A 66 0.374 0.908 -13.937 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.708 1.324 -13.558 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.535 0.090 -14.973 1.00 0.00 N ATOM 0 H GLN A 66 0.900 4.148 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 66 0.743 1.329 -10.770 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.560 3.037 -12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.298 3.240 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.449 1.493 -13.989 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.033 0.464 -12.633 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.470 -0.221 -15.237 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.276 -0.227 -15.504 1.00 0.00 H new ATOM 1028 N ALA A 67 3.415 2.469 -9.522 1.00 0.00 N ATOM 1029 CA ALA A 67 4.724 2.143 -8.981 1.00 0.00 C ATOM 1030 C ALA A 67 4.586 0.994 -7.981 1.00 0.00 C ATOM 1031 O ALA A 67 5.502 0.187 -7.827 1.00 0.00 O ATOM 1032 CB ALA A 67 5.342 3.393 -8.351 1.00 0.00 C ATOM 0 H ALA A 67 3.012 3.337 -9.169 1.00 0.00 H new ATOM 0 HA ALA A 67 5.395 1.812 -9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.324 3.149 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.446 4.169 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.697 3.753 -7.549 1.00 0.00 H new ATOM 1038 N ALA A 68 3.434 0.955 -7.328 1.00 0.00 N ATOM 1039 CA ALA A 68 3.165 -0.083 -6.347 1.00 0.00 C ATOM 1040 C ALA A 68 2.623 -1.324 -7.060 1.00 0.00 C ATOM 1041 O ALA A 68 2.193 -2.278 -6.413 1.00 0.00 O ATOM 1042 CB ALA A 68 2.196 0.452 -5.291 1.00 0.00 C ATOM 0 H ALA A 68 2.676 1.625 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 68 4.081 -0.372 -5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.994 -0.326 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.639 1.315 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.263 0.749 -5.770 1.00 0.00 H new ATOM 1048 N ILE A 69 2.662 -1.271 -8.384 1.00 0.00 N ATOM 1049 CA ILE A 69 2.181 -2.379 -9.191 1.00 0.00 C ATOM 1050 C ILE A 69 3.354 -2.995 -9.955 1.00 0.00 C ATOM 1051 O ILE A 69 3.408 -4.209 -10.143 1.00 0.00 O ATOM 1052 CB ILE A 69 1.031 -1.925 -10.092 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.286 -1.868 -9.315 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.925 -2.812 -11.335 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.755 -0.423 -9.134 1.00 0.00 C ATOM 0 H ILE A 69 3.019 -0.478 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 69 1.768 -3.162 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 69 1.246 -0.913 -10.435 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.049 -2.438 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.157 -2.337 -8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.100 -2.468 -11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.855 -2.758 -11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.745 -3.843 -11.032 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.693 -0.412 -8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.000 0.138 -8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.906 0.035 -10.111 1.00 0.00 H new ATOM 1067 N ASP A 70 4.265 -2.129 -10.375 1.00 0.00 N ATOM 1068 CA ASP A 70 5.434 -2.573 -11.115 1.00 0.00 C ATOM 1069 C ASP A 70 6.352 -3.367 -10.182 1.00 0.00 C ATOM 1070 O ASP A 70 7.046 -4.283 -10.620 1.00 0.00 O ATOM 1071 CB ASP A 70 6.228 -1.383 -11.658 1.00 0.00 C ATOM 1072 CG ASP A 70 6.619 -1.485 -13.133 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.525 -2.559 -13.746 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.042 -0.387 -13.662 1.00 0.00 O ATOM 0 H ASP A 70 4.217 -1.122 -10.217 1.00 0.00 H new ATOM 0 HA ASP A 70 5.092 -3.188 -11.947 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.639 -0.477 -11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.135 -1.270 -11.064 1.00 0.00 H new ATOM 1080 N TYR A 71 6.324 -2.986 -8.913 1.00 0.00 N ATOM 1081 CA TYR A 71 7.145 -3.651 -7.915 1.00 0.00 C ATOM 1082 C TYR A 71 6.500 -4.962 -7.460 1.00 0.00 C ATOM 1083 O TYR A 71 7.197 -5.934 -7.175 1.00 0.00 O ATOM 1084 CB TYR A 71 7.219 -2.693 -6.724 1.00 0.00 C ATOM 1085 CG TYR A 71 8.612 -2.581 -6.101 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.272 -3.717 -5.679 1.00 0.00 C ATOM 1087 CD2 TYR A 71 9.208 -1.344 -5.961 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.583 -3.612 -5.093 1.00 0.00 C ATOM 1089 CE2 TYR A 71 10.519 -1.240 -5.375 1.00 0.00 C ATOM 1090 CZ TYR A 71 11.142 -2.379 -4.970 1.00 0.00 C ATOM 1091 OH TYR A 71 12.380 -2.280 -4.416 1.00 0.00 O ATOM 0 H TYR A 71 5.746 -2.226 -8.553 1.00 0.00 H new ATOM 0 HA TYR A 71 8.128 -3.889 -8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.896 -1.703 -7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.516 -3.025 -5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.805 -4.685 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.691 -0.455 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.110 -4.493 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.997 -0.279 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 71 12.457 -2.912 -3.671 1.00 0.00 H new ATOM 1101 N ILE A 72 5.176 -4.945 -7.405 1.00 0.00 N ATOM 1102 CA ILE A 72 4.430 -6.121 -6.990 1.00 0.00 C ATOM 1103 C ILE A 72 4.400 -7.132 -8.137 1.00 0.00 C ATOM 1104 O ILE A 72 4.427 -8.340 -7.905 1.00 0.00 O ATOM 1105 CB ILE A 72 3.042 -5.723 -6.484 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.144 -4.699 -5.351 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.234 -6.955 -6.072 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.687 -5.346 -4.075 1.00 0.00 C ATOM 0 H ILE A 72 4.601 -4.136 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 72 4.923 -6.608 -6.149 1.00 0.00 H new ATOM 0 HB ILE A 72 2.504 -5.245 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.796 -3.880 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.162 -4.269 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.252 -6.644 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.116 -7.617 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.757 -7.484 -5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.750 -4.597 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.019 -6.149 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.679 -5.754 -4.268 1.00 0.00 H new ATOM 1120 N ASN A 73 4.344 -6.602 -9.350 1.00 0.00 N ATOM 1121 CA ASN A 73 4.310 -7.444 -10.534 1.00 0.00 C ATOM 1122 C ASN A 73 5.463 -8.447 -10.475 1.00 0.00 C ATOM 1123 O ASN A 73 5.395 -9.513 -11.084 1.00 0.00 O ATOM 1124 CB ASN A 73 4.473 -6.610 -11.807 1.00 0.00 C ATOM 1125 CG ASN A 73 3.431 -7.004 -12.856 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.684 -7.787 -13.756 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.249 -6.417 -12.692 1.00 0.00 N ATOM 0 H ASN A 73 4.321 -5.600 -9.539 1.00 0.00 H new ATOM 0 HA ASN A 73 3.347 -7.954 -10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.372 -5.551 -11.568 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.475 -6.751 -12.213 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.488 -6.613 -13.342 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.104 -5.771 -11.916 1.00 0.00 H new ATOM 1134 N GLY A 74 6.496 -8.070 -9.736 1.00 0.00 N ATOM 1135 CA GLY A 74 7.663 -8.923 -9.589 1.00 0.00 C ATOM 1136 C GLY A 74 7.265 -10.316 -9.095 1.00 0.00 C ATOM 1137 O GLY A 74 8.036 -11.266 -9.220 1.00 0.00 O ATOM 0 H GLY A 74 6.549 -7.185 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.180 -9.006 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.363 -8.470 -8.887 1.00 0.00 H new ATOM 1141 N HIS A 75 6.063 -10.392 -8.544 1.00 0.00 N ATOM 1142 CA HIS A 75 5.553 -11.652 -8.031 1.00 0.00 C ATOM 1143 C HIS A 75 5.548 -12.697 -9.149 1.00 0.00 C ATOM 1144 O HIS A 75 6.113 -13.779 -8.995 1.00 0.00 O ATOM 1145 CB HIS A 75 4.176 -11.462 -7.392 1.00 0.00 C ATOM 1146 CG HIS A 75 3.217 -12.599 -7.648 1.00 0.00 C ATOM 1147 ND1 HIS A 75 3.620 -13.922 -7.703 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.870 -12.598 -7.864 1.00 0.00 C ATOM 1149 CE1 HIS A 75 2.556 -14.674 -7.942 1.00 0.00 C ATOM 1150 NE2 HIS A 75 1.473 -13.852 -8.042 1.00 0.00 N ATOM 0 H HIS A 75 5.427 -9.601 -8.441 1.00 0.00 H new ATOM 0 HA HIS A 75 6.208 -12.018 -7.241 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.300 -11.341 -6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.737 -10.538 -7.769 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.574 -14.260 -7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.235 -11.725 -7.886 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.548 -15.749 -8.040 1.00 0.00 H new ATOM 1158 N GLN A 76 4.904 -12.337 -10.249 1.00 0.00 N ATOM 1159 CA GLN A 76 4.818 -13.229 -11.392 1.00 0.00 C ATOM 1160 C GLN A 76 5.449 -12.577 -12.624 1.00 0.00 C ATOM 1161 O GLN A 76 5.689 -11.370 -12.638 1.00 0.00 O ATOM 1162 CB GLN A 76 3.368 -13.631 -11.667 1.00 0.00 C ATOM 1163 CG GLN A 76 2.413 -12.474 -11.368 1.00 0.00 C ATOM 1164 CD GLN A 76 2.720 -11.266 -12.257 1.00 0.00 C ATOM 1165 OE1 GLN A 76 3.037 -10.165 -11.582 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 2.672 -11.331 -13.474 1.00 0.00 N flip ATOM 0 H GLN A 76 4.436 -11.439 -10.373 1.00 0.00 H new ATOM 0 HA GLN A 76 5.374 -14.137 -11.161 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.262 -13.935 -12.708 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.103 -14.493 -11.055 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.384 -12.796 -11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.498 -12.189 -10.319 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.421 -12.209 -13.928 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.883 -10.507 -14.037 1.00 0.00 H new ATOM 1175 N ALA A 77 5.699 -13.403 -13.629 1.00 0.00 N ATOM 1176 CA ALA A 77 6.297 -12.921 -14.863 1.00 0.00 C ATOM 1177 C ALA A 77 5.787 -13.762 -16.034 1.00 0.00 C ATOM 1178 O ALA A 77 6.162 -14.925 -16.178 1.00 0.00 O ATOM 1179 CB ALA A 77 7.822 -12.957 -14.740 1.00 0.00 C ATOM 0 H ALA A 77 5.498 -14.403 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 77 6.009 -11.886 -15.050 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.270 -12.596 -15.665 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.135 -12.321 -13.912 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.148 -13.980 -14.555 1.00 0.00 H new TER 1185 ALA A 77