USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 600 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 52 SER OG : rot 180:sc= 0.0628 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -0.165 F(o=-1.7,f=-0.1) USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= -0.596 F(o=-4.2!,f=-3.2) USER MOD Set 2.2: A 69 CYS SG : rot 180:sc= -2.58! USER MOD Set 3.1: A 25 SER OG : rot 36:sc= 0.258 USER MOD Set 3.2: A 26 ASN : amide:sc= -2.44! C(o=-2.2!,f=-12!) USER MOD Set 4.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 8 SER OG : rot 148:sc= 0.924 USER MOD Set 5.2: A 38 SER OG : rot 91:sc= 2.06 USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.41) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 3.39 (180deg=3.29) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00896) USER MOD Single : A 19 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.11) USER MOD Single : A 32 SER OG : rot 180:sc= 0.068 USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.02) USER MOD Single : A 39 ASN : amide:sc= -0.0825 K(o=-0.082,f=-0.9) USER MOD Single : A 42 SER OG : rot 64:sc= 1.22 USER MOD Single : A 45 TYR OH : rot 150:sc= 0.934 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0147 (180deg=-0.193) USER MOD Single : A 57 CYS SG : rot 100:sc= -1.21 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.45 K(o=-1.5,f=-3.6!) USER MOD Single : A 61 MET CE :methyl -162:sc= -0.072 (180deg=-0.494) USER MOD Single : A 62 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-1.1) USER MOD Single : A 63 THR OG1 : rot -95:sc= 0.935 USER MOD Single : A 70 THR OG1 : rot -41:sc= 0.649 USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.782 -1.544 6.392 1.00 0.00 N ATOM 39 CA LYS A 3 -18.751 -1.524 5.368 1.00 0.00 C ATOM 40 C LYS A 3 -17.490 -2.194 5.898 1.00 0.00 C ATOM 41 O LYS A 3 -17.344 -2.377 7.110 1.00 0.00 O ATOM 42 CB LYS A 3 -18.455 -0.087 4.925 1.00 0.00 C ATOM 43 CG LYS A 3 -19.602 0.568 4.165 1.00 0.00 C ATOM 44 CD LYS A 3 -19.219 1.942 3.648 1.00 0.00 C ATOM 45 CE LYS A 3 -20.359 2.573 2.867 1.00 0.00 C ATOM 46 NZ LYS A 3 -19.917 3.783 2.126 1.00 0.00 N ATOM 0 HA LYS A 3 -19.106 -2.076 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.223 0.514 5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.566 -0.086 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.894 -0.067 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.470 0.654 4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.948 2.586 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.339 1.861 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.765 1.845 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.164 2.840 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.642 4.047 1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.778 4.568 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.022 3.582 1.636 1.00 0.00 H new ATOM 60 N ASP A 4 -16.587 -2.564 5.005 1.00 0.00 N ATOM 61 CA ASP A 4 -15.389 -3.296 5.394 1.00 0.00 C ATOM 62 C ASP A 4 -14.138 -2.460 5.125 1.00 0.00 C ATOM 63 O ASP A 4 -14.095 -1.680 4.174 1.00 0.00 O ATOM 64 CB ASP A 4 -15.323 -4.620 4.625 1.00 0.00 C ATOM 65 CG ASP A 4 -14.408 -5.638 5.277 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.196 -5.630 4.997 1.00 0.00 O ATOM 67 OD2 ASP A 4 -14.908 -6.466 6.072 1.00 0.00 O ATOM 0 H ASP A 4 -16.659 -2.371 4.006 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.433 -3.506 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.326 -5.039 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.978 -4.427 3.609 1.00 0.00 H new ATOM 72 N ILE A 5 -13.135 -2.595 5.978 1.00 0.00 N ATOM 73 CA ILE A 5 -11.878 -1.886 5.790 1.00 0.00 C ATOM 74 C ILE A 5 -11.167 -2.394 4.543 1.00 0.00 C ATOM 75 O ILE A 5 -10.832 -3.576 4.442 1.00 0.00 O ATOM 76 CB ILE A 5 -10.946 -2.032 7.019 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.462 -1.192 8.191 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.515 -1.629 6.673 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.404 0.301 7.936 1.00 0.00 C ATOM 0 H ILE A 5 -13.166 -3.188 6.807 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.115 -0.829 5.670 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.945 -3.081 7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.492 -1.476 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.875 -1.424 9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.882 -1.741 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.140 -2.268 5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.499 -0.590 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.785 0.834 8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.372 0.599 7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.014 0.546 7.066 1.00 0.00 H new ATOM 91 N PHE A 6 -10.944 -1.491 3.600 1.00 0.00 N ATOM 92 CA PHE A 6 -10.245 -1.831 2.374 1.00 0.00 C ATOM 93 C PHE A 6 -8.841 -2.335 2.692 1.00 0.00 C ATOM 94 O PHE A 6 -8.086 -1.689 3.408 1.00 0.00 O ATOM 95 CB PHE A 6 -10.170 -0.605 1.455 1.00 0.00 C ATOM 96 CG PHE A 6 -9.293 -0.802 0.250 1.00 0.00 C ATOM 97 CD1 PHE A 6 -9.754 -1.506 -0.851 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.006 -0.290 0.218 1.00 0.00 C ATOM 99 CE1 PHE A 6 -8.949 -1.695 -1.956 1.00 0.00 C ATOM 100 CE2 PHE A 6 -7.197 -0.474 -0.884 1.00 0.00 C ATOM 101 CZ PHE A 6 -7.669 -1.180 -1.973 1.00 0.00 C ATOM 0 H PHE A 6 -11.238 -0.516 3.662 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.794 -2.622 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.176 -0.350 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.799 0.245 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.755 -1.912 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -7.631 0.261 1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.321 -2.246 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.197 -0.067 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.037 -1.329 -2.836 1.00 0.00 H new ATOM 111 N THR A 7 -8.531 -3.515 2.192 1.00 0.00 N ATOM 112 CA THR A 7 -7.203 -4.081 2.323 1.00 0.00 C ATOM 113 C THR A 7 -6.879 -4.876 1.062 1.00 0.00 C ATOM 114 O THR A 7 -7.602 -5.812 0.714 1.00 0.00 O ATOM 115 CB THR A 7 -7.101 -4.989 3.566 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.528 -4.266 4.730 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.675 -5.485 3.774 1.00 0.00 C ATOM 0 H THR A 7 -9.190 -4.106 1.685 1.00 0.00 H new ATOM 0 HA THR A 7 -6.485 -3.271 2.448 1.00 0.00 H new ATOM 0 HB THR A 7 -7.746 -5.853 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.463 -4.846 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.637 -6.122 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.357 -6.055 2.901 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.010 -4.633 3.912 1.00 0.00 H new ATOM 125 N SER A 8 -5.819 -4.492 0.369 1.00 0.00 N ATOM 126 CA SER A 8 -5.491 -5.090 -0.913 1.00 0.00 C ATOM 127 C SER A 8 -3.977 -5.102 -1.112 1.00 0.00 C ATOM 128 O SER A 8 -3.226 -4.617 -0.261 1.00 0.00 O ATOM 129 CB SER A 8 -6.180 -4.304 -2.037 1.00 0.00 C ATOM 130 OG SER A 8 -6.281 -5.063 -3.233 1.00 0.00 O ATOM 0 H SER A 8 -5.170 -3.767 0.675 1.00 0.00 H new ATOM 0 HA SER A 8 -5.847 -6.120 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.177 -4.005 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.622 -3.389 -2.234 1.00 0.00 H new ATOM 0 HG SER A 8 -7.097 -4.810 -3.713 1.00 0.00 H new ATOM 136 N VAL A 9 -3.531 -5.655 -2.228 1.00 0.00 N ATOM 137 CA VAL A 9 -2.112 -5.742 -2.526 1.00 0.00 C ATOM 138 C VAL A 9 -1.778 -4.908 -3.759 1.00 0.00 C ATOM 139 O VAL A 9 -2.325 -5.137 -4.837 1.00 0.00 O ATOM 140 CB VAL A 9 -1.682 -7.206 -2.765 1.00 0.00 C ATOM 141 CG1 VAL A 9 -0.192 -7.289 -3.044 1.00 0.00 C ATOM 142 CG2 VAL A 9 -2.050 -8.083 -1.576 1.00 0.00 C ATOM 0 H VAL A 9 -4.136 -6.053 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.567 -5.354 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.218 -7.575 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.090 -8.329 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.045 -6.703 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.360 -6.895 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.736 -9.109 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.548 -7.713 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.129 -8.056 -1.424 1.00 0.00 H new ATOM 152 N VAL A 10 -0.889 -3.941 -3.594 1.00 0.00 N ATOM 153 CA VAL A 10 -0.494 -3.080 -4.701 1.00 0.00 C ATOM 154 C VAL A 10 0.968 -3.333 -5.076 1.00 0.00 C ATOM 155 O VAL A 10 1.779 -3.725 -4.231 1.00 0.00 O ATOM 156 CB VAL A 10 -0.715 -1.585 -4.360 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.172 -1.144 -3.207 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.489 -0.703 -5.580 1.00 0.00 C ATOM 0 H VAL A 10 -0.428 -3.732 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.124 -3.323 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.753 -1.472 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.007 -0.090 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.058 -1.739 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.218 -1.286 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.651 0.340 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.533 -0.831 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.187 -0.986 -6.368 1.00 0.00 H new ATOM 168 N ARG A 11 1.291 -3.124 -6.345 1.00 0.00 N ATOM 169 CA ARG A 11 2.634 -3.370 -6.852 1.00 0.00 C ATOM 170 C ARG A 11 3.583 -2.248 -6.450 1.00 0.00 C ATOM 171 O ARG A 11 3.252 -1.067 -6.570 1.00 0.00 O ATOM 172 CB ARG A 11 2.609 -3.506 -8.374 1.00 0.00 C ATOM 173 CG ARG A 11 1.798 -4.691 -8.874 1.00 0.00 C ATOM 174 CD ARG A 11 1.790 -4.747 -10.391 1.00 0.00 C ATOM 175 NE ARG A 11 1.100 -5.931 -10.903 1.00 0.00 N ATOM 176 CZ ARG A 11 1.267 -6.417 -12.134 1.00 0.00 C ATOM 177 NH1 ARG A 11 2.061 -5.796 -13.000 1.00 0.00 N ATOM 178 NH2 ARG A 11 0.627 -7.518 -12.507 1.00 0.00 N ATOM 0 H ARG A 11 0.635 -2.782 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 11 2.994 -4.301 -6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.200 -2.591 -8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.632 -3.600 -8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.215 -5.616 -8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.775 -4.618 -8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.307 -3.851 -10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.817 -4.742 -10.757 1.00 0.00 H new ATOM 0 HE ARG A 11 0.452 -6.414 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.547 -4.942 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.184 -6.173 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.006 -7.994 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.756 -7.888 -13.449 1.00 0.00 H new ATOM 192 N VAL A 12 4.764 -2.622 -5.977 1.00 0.00 N ATOM 193 CA VAL A 12 5.763 -1.647 -5.567 1.00 0.00 C ATOM 194 C VAL A 12 6.961 -1.698 -6.504 1.00 0.00 C ATOM 195 O VAL A 12 7.722 -2.671 -6.514 1.00 0.00 O ATOM 196 CB VAL A 12 6.236 -1.890 -4.120 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.055 -0.716 -3.604 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.055 -2.147 -3.212 1.00 0.00 C ATOM 0 H VAL A 12 5.053 -3.594 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 12 5.297 -0.663 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 12 6.875 -2.773 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.374 -0.917 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.931 -0.577 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.447 0.188 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.408 -2.316 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.390 -1.283 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.514 -3.027 -3.559 1.00 0.00 H new ATOM 208 N ARG A 13 7.133 -0.641 -7.276 1.00 0.00 N ATOM 209 CA ARG A 13 8.154 -0.599 -8.308 1.00 0.00 C ATOM 210 C ARG A 13 9.454 -0.027 -7.749 1.00 0.00 C ATOM 211 O ARG A 13 9.582 1.182 -7.572 1.00 0.00 O ATOM 212 CB ARG A 13 7.665 0.257 -9.479 1.00 0.00 C ATOM 213 CG ARG A 13 8.486 0.113 -10.749 1.00 0.00 C ATOM 214 CD ARG A 13 8.353 -1.281 -11.341 1.00 0.00 C ATOM 215 NE ARG A 13 8.861 -1.345 -12.710 1.00 0.00 N ATOM 216 CZ ARG A 13 8.727 -2.402 -13.514 1.00 0.00 C ATOM 217 NH1 ARG A 13 8.166 -3.519 -13.068 1.00 0.00 N ATOM 218 NH2 ARG A 13 9.167 -2.340 -14.763 1.00 0.00 N ATOM 0 H ARG A 13 6.573 0.209 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 13 8.345 -1.614 -8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.630 -0.006 -9.698 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.670 1.304 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.161 0.853 -11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.534 0.319 -10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.896 -1.992 -10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.305 -1.582 -11.329 1.00 0.00 H new ATOM 0 HE ARG A 13 9.350 -0.528 -13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.834 -3.574 -12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.067 -4.323 -13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.606 -1.486 -15.107 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.066 -3.146 -15.380 1.00 0.00 H new ATOM 232 N GLY A 14 10.396 -0.906 -7.438 1.00 0.00 N ATOM 233 CA GLY A 14 11.702 -0.468 -6.995 1.00 0.00 C ATOM 234 C GLY A 14 12.454 -1.586 -6.319 1.00 0.00 C ATOM 235 O GLY A 14 11.850 -2.585 -5.919 1.00 0.00 O ATOM 0 H GLY A 14 10.277 -1.918 -7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.275 -0.105 -7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.593 0.369 -6.305 1.00 0.00 H new ATOM 239 N SER A 15 13.759 -1.436 -6.190 1.00 0.00 N ATOM 240 CA SER A 15 14.572 -2.445 -5.539 1.00 0.00 C ATOM 241 C SER A 15 14.553 -2.212 -4.032 1.00 0.00 C ATOM 242 O SER A 15 15.248 -1.337 -3.513 1.00 0.00 O ATOM 243 CB SER A 15 16.003 -2.416 -6.084 1.00 0.00 C ATOM 244 OG SER A 15 16.729 -3.568 -5.687 1.00 0.00 O ATOM 0 H SER A 15 14.278 -0.625 -6.527 1.00 0.00 H new ATOM 0 HA SER A 15 14.161 -3.433 -5.748 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.979 -2.356 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.513 -1.521 -5.726 1.00 0.00 H new ATOM 0 HG SER A 15 17.638 -3.523 -6.051 1.00 0.00 H new ATOM 250 N LYS A 16 13.725 -2.984 -3.345 1.00 0.00 N ATOM 251 CA LYS A 16 13.519 -2.817 -1.915 1.00 0.00 C ATOM 252 C LYS A 16 13.184 -4.157 -1.267 1.00 0.00 C ATOM 253 O LYS A 16 12.332 -4.237 -0.380 1.00 0.00 O ATOM 254 CB LYS A 16 12.413 -1.773 -1.654 1.00 0.00 C ATOM 255 CG LYS A 16 11.233 -1.823 -2.627 1.00 0.00 C ATOM 256 CD LYS A 16 10.414 -3.094 -2.470 1.00 0.00 C ATOM 257 CE LYS A 16 9.248 -3.148 -3.438 1.00 0.00 C ATOM 258 NZ LYS A 16 9.662 -3.603 -4.791 1.00 0.00 N ATOM 0 H LYS A 16 13.180 -3.740 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 16 14.441 -2.450 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.035 -1.912 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.856 -0.778 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.592 -0.957 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.604 -1.756 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.056 -3.960 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.039 -3.159 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.485 -3.822 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.793 -2.160 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.840 -3.592 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.396 -2.966 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.041 -4.570 -4.731 1.00 0.00 H new ATOM 272 N LYS A 17 13.877 -5.200 -1.731 1.00 0.00 N ATOM 273 CA LYS A 17 13.698 -6.569 -1.243 1.00 0.00 C ATOM 274 C LYS A 17 12.356 -7.156 -1.692 1.00 0.00 C ATOM 275 O LYS A 17 12.322 -8.093 -2.492 1.00 0.00 O ATOM 276 CB LYS A 17 13.835 -6.631 0.285 1.00 0.00 C ATOM 277 CG LYS A 17 13.894 -8.045 0.837 1.00 0.00 C ATOM 278 CD LYS A 17 14.166 -8.054 2.331 1.00 0.00 C ATOM 279 CE LYS A 17 14.393 -9.468 2.841 1.00 0.00 C ATOM 280 NZ LYS A 17 13.166 -10.302 2.758 1.00 0.00 N ATOM 0 H LYS A 17 14.584 -5.117 -2.462 1.00 0.00 H new ATOM 0 HA LYS A 17 14.489 -7.177 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.738 -6.097 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.992 -6.109 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.951 -8.554 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.675 -8.605 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.042 -7.442 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.325 -7.605 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.188 -9.937 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.733 -9.428 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.356 -11.241 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.398 -9.844 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.883 -10.406 1.763 1.00 0.00 H new ATOM 294 N TYR A 18 11.259 -6.593 -1.196 1.00 0.00 N ATOM 295 CA TYR A 18 9.919 -7.073 -1.531 1.00 0.00 C ATOM 296 C TYR A 18 9.526 -6.679 -2.956 1.00 0.00 C ATOM 297 O TYR A 18 10.300 -6.039 -3.674 1.00 0.00 O ATOM 298 CB TYR A 18 8.892 -6.516 -0.541 1.00 0.00 C ATOM 299 CG TYR A 18 8.960 -7.133 0.838 1.00 0.00 C ATOM 300 CD1 TYR A 18 8.208 -8.258 1.148 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.761 -6.585 1.832 1.00 0.00 C ATOM 302 CE1 TYR A 18 8.250 -8.819 2.408 1.00 0.00 C ATOM 303 CE2 TYR A 18 9.811 -7.145 3.094 1.00 0.00 C ATOM 304 CZ TYR A 18 9.053 -8.261 3.375 1.00 0.00 C ATOM 305 OH TYR A 18 9.091 -8.814 4.635 1.00 0.00 O ATOM 0 H TYR A 18 11.270 -5.799 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 18 9.932 -8.161 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.037 -5.439 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.892 -6.671 -0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.579 -8.702 0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.353 -5.708 1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.655 -9.692 2.634 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.441 -6.710 3.856 1.00 0.00 H new ATOM 0 HH TYR A 18 9.708 -8.302 5.199 1.00 0.00 H new ATOM 315 N ASN A 19 8.317 -7.047 -3.363 1.00 0.00 N ATOM 316 CA ASN A 19 7.828 -6.714 -4.697 1.00 0.00 C ATOM 317 C ASN A 19 6.461 -6.035 -4.632 1.00 0.00 C ATOM 318 O ASN A 19 6.178 -5.118 -5.404 1.00 0.00 O ATOM 319 CB ASN A 19 7.776 -7.964 -5.589 1.00 0.00 C ATOM 320 CG ASN A 19 6.793 -9.021 -5.111 1.00 0.00 C ATOM 321 OD1 ASN A 19 5.642 -9.052 -5.538 1.00 0.00 O ATOM 322 ND2 ASN A 19 7.236 -9.895 -4.221 1.00 0.00 N ATOM 0 H ASN A 19 7.658 -7.575 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 19 8.530 -6.008 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.508 -7.664 -6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.772 -8.404 -5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.615 -10.623 -3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.198 -9.840 -3.888 1.00 0.00 H new ATOM 329 N VAL A 20 5.631 -6.469 -3.699 1.00 0.00 N ATOM 330 CA VAL A 20 4.313 -5.876 -3.502 1.00 0.00 C ATOM 331 C VAL A 20 4.112 -5.515 -2.036 1.00 0.00 C ATOM 332 O VAL A 20 4.796 -6.052 -1.163 1.00 0.00 O ATOM 333 CB VAL A 20 3.176 -6.822 -3.949 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.170 -6.994 -5.460 1.00 0.00 C ATOM 335 CG2 VAL A 20 3.297 -8.175 -3.264 1.00 0.00 C ATOM 0 H VAL A 20 5.846 -7.235 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 20 4.272 -4.979 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 20 2.231 -6.367 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.360 -7.665 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.024 -6.024 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.122 -7.417 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.486 -8.824 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.253 -8.629 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.239 -8.042 -2.184 1.00 0.00 H new ATOM 345 N VAL A 21 3.188 -4.608 -1.762 1.00 0.00 N ATOM 346 CA VAL A 21 2.923 -4.200 -0.393 1.00 0.00 C ATOM 347 C VAL A 21 1.429 -4.289 -0.071 1.00 0.00 C ATOM 348 O VAL A 21 0.581 -3.882 -0.873 1.00 0.00 O ATOM 349 CB VAL A 21 3.447 -2.764 -0.117 1.00 0.00 C ATOM 350 CG1 VAL A 21 2.637 -1.715 -0.857 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.471 -2.471 1.371 1.00 0.00 C ATOM 0 H VAL A 21 2.613 -4.143 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 21 3.460 -4.889 0.259 1.00 0.00 H new ATOM 0 HB VAL A 21 4.468 -2.716 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.036 -0.725 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.696 -1.900 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.596 -1.766 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.842 -1.459 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.463 -2.559 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.126 -3.184 1.872 1.00 0.00 H new ATOM 361 N PRO A 22 1.085 -4.879 1.085 1.00 0.00 N ATOM 362 CA PRO A 22 -0.290 -4.899 1.578 1.00 0.00 C ATOM 363 C PRO A 22 -0.726 -3.528 2.093 1.00 0.00 C ATOM 364 O PRO A 22 -0.136 -2.977 3.031 1.00 0.00 O ATOM 365 CB PRO A 22 -0.251 -5.920 2.716 1.00 0.00 C ATOM 366 CG PRO A 22 1.162 -5.911 3.189 1.00 0.00 C ATOM 367 CD PRO A 22 2.007 -5.600 1.983 1.00 0.00 C ATOM 0 HA PRO A 22 -1.006 -5.155 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.938 -5.646 3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.545 -6.910 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.307 -5.163 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.435 -6.875 3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.870 -4.988 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.390 -6.508 1.518 1.00 0.00 H new ATOM 375 N VAL A 23 -1.749 -2.978 1.467 1.00 0.00 N ATOM 376 CA VAL A 23 -2.258 -1.670 1.836 1.00 0.00 C ATOM 377 C VAL A 23 -3.650 -1.789 2.437 1.00 0.00 C ATOM 378 O VAL A 23 -4.408 -2.701 2.102 1.00 0.00 O ATOM 379 CB VAL A 23 -2.300 -0.708 0.631 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.898 -0.422 0.127 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.155 -1.274 -0.490 1.00 0.00 C ATOM 0 H VAL A 23 -2.247 -3.420 0.695 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.573 -1.258 2.577 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.750 0.227 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.949 0.258 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.311 0.036 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.425 -1.354 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.167 -0.575 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.740 -2.227 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.172 -1.427 -0.130 1.00 0.00 H new ATOM 391 N LYS A 24 -3.976 -0.869 3.323 1.00 0.00 N ATOM 392 CA LYS A 24 -5.273 -0.849 3.964 1.00 0.00 C ATOM 393 C LYS A 24 -5.806 0.571 4.011 1.00 0.00 C ATOM 394 O LYS A 24 -5.090 1.525 3.701 1.00 0.00 O ATOM 395 CB LYS A 24 -5.195 -1.430 5.378 1.00 0.00 C ATOM 396 CG LYS A 24 -4.210 -0.709 6.285 1.00 0.00 C ATOM 397 CD LYS A 24 -4.301 -1.208 7.718 1.00 0.00 C ATOM 398 CE LYS A 24 -4.059 -2.707 7.811 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.178 -3.197 9.208 1.00 0.00 N ATOM 0 H LYS A 24 -3.352 -0.118 3.617 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.954 -1.468 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.186 -1.393 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.913 -2.481 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.196 -0.855 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.408 0.363 6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.570 -0.683 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.285 -0.973 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.776 -3.231 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.066 -2.940 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.007 -4.223 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.477 -2.715 9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.134 -2.997 9.566 1.00 0.00 H new ATOM 413 N SER A 25 -7.058 0.712 4.393 1.00 0.00 N ATOM 414 CA SER A 25 -7.669 2.020 4.481 1.00 0.00 C ATOM 415 C SER A 25 -7.901 2.409 5.933 1.00 0.00 C ATOM 416 O SER A 25 -7.992 1.554 6.819 1.00 0.00 O ATOM 417 CB SER A 25 -8.982 2.046 3.701 1.00 0.00 C ATOM 418 OG SER A 25 -9.482 3.364 3.595 1.00 0.00 O ATOM 0 H SER A 25 -7.671 -0.062 4.647 1.00 0.00 H new ATOM 0 HA SER A 25 -6.989 2.748 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.826 1.631 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.717 1.413 4.198 1.00 0.00 H new ATOM 0 HG SER A 25 -8.735 3.991 3.500 1.00 0.00 H new ATOM 424 N ASN A 26 -7.971 3.710 6.167 1.00 0.00 N ATOM 425 CA ASN A 26 -8.210 4.250 7.497 1.00 0.00 C ATOM 426 C ASN A 26 -9.684 4.149 7.876 1.00 0.00 C ATOM 427 O ASN A 26 -10.020 3.951 9.045 1.00 0.00 O ATOM 428 CB ASN A 26 -7.742 5.711 7.578 1.00 0.00 C ATOM 429 CG ASN A 26 -8.415 6.622 6.557 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.803 6.191 5.473 1.00 0.00 O ATOM 431 ND2 ASN A 26 -8.558 7.893 6.894 1.00 0.00 N ATOM 0 H ASN A 26 -7.864 4.420 5.443 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.634 3.655 8.206 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.940 6.093 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.663 5.747 7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.001 8.546 6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.226 8.221 7.801 1.00 0.00 H new ATOM 438 N LYS A 27 -10.559 4.269 6.888 1.00 0.00 N ATOM 439 CA LYS A 27 -11.994 4.275 7.138 1.00 0.00 C ATOM 440 C LYS A 27 -12.690 3.161 6.357 1.00 0.00 C ATOM 441 O LYS A 27 -12.211 2.748 5.302 1.00 0.00 O ATOM 442 CB LYS A 27 -12.574 5.650 6.789 1.00 0.00 C ATOM 443 CG LYS A 27 -12.162 6.731 7.778 1.00 0.00 C ATOM 444 CD LYS A 27 -12.579 8.121 7.321 1.00 0.00 C ATOM 445 CE LYS A 27 -11.721 8.615 6.165 1.00 0.00 C ATOM 446 NZ LYS A 27 -12.047 10.015 5.788 1.00 0.00 N ATOM 0 H LYS A 27 -10.301 4.364 5.906 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.170 4.084 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.246 5.935 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.662 5.584 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.609 6.521 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.081 6.704 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.625 8.105 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.500 8.817 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.669 8.550 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.865 7.964 5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.540 10.267 4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.071 10.103 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.758 10.657 6.554 1.00 0.00 H new ATOM 460 N PRO A 28 -13.816 2.643 6.887 1.00 0.00 N ATOM 461 CA PRO A 28 -14.546 1.519 6.282 1.00 0.00 C ATOM 462 C PRO A 28 -15.127 1.855 4.910 1.00 0.00 C ATOM 463 O PRO A 28 -15.700 2.928 4.709 1.00 0.00 O ATOM 464 CB PRO A 28 -15.675 1.231 7.282 1.00 0.00 C ATOM 465 CG PRO A 28 -15.270 1.914 8.542 1.00 0.00 C ATOM 466 CD PRO A 28 -14.468 3.108 8.121 1.00 0.00 C ATOM 0 HA PRO A 28 -13.886 0.670 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.629 1.612 6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.798 0.159 7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.143 2.214 9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.680 1.250 9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.100 3.977 7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.740 3.395 8.880 1.00 0.00 H new ATOM 474 N VAL A 29 -14.987 0.920 3.980 1.00 0.00 N ATOM 475 CA VAL A 29 -15.438 1.115 2.610 1.00 0.00 C ATOM 476 C VAL A 29 -16.394 -0.003 2.217 1.00 0.00 C ATOM 477 O VAL A 29 -16.294 -1.113 2.732 1.00 0.00 O ATOM 478 CB VAL A 29 -14.251 1.104 1.625 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.546 1.989 0.427 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.960 1.519 2.317 1.00 0.00 C ATOM 0 H VAL A 29 -14.560 0.010 4.153 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.937 2.083 2.561 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.114 0.084 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.698 1.969 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.435 1.622 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.717 3.012 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.140 1.502 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.070 2.526 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.744 0.826 3.130 1.00 0.00 H new ATOM 490 N GLU A 30 -17.332 0.274 1.331 1.00 0.00 N ATOM 491 CA GLU A 30 -18.218 -0.772 0.848 1.00 0.00 C ATOM 492 C GLU A 30 -17.438 -1.749 -0.028 1.00 0.00 C ATOM 493 O GLU A 30 -16.510 -1.354 -0.738 1.00 0.00 O ATOM 494 CB GLU A 30 -19.420 -0.193 0.089 1.00 0.00 C ATOM 495 CG GLU A 30 -19.059 0.814 -0.990 1.00 0.00 C ATOM 496 CD GLU A 30 -19.069 2.243 -0.490 1.00 0.00 C ATOM 497 OE1 GLU A 30 -18.222 2.593 0.356 1.00 0.00 O ATOM 498 OE2 GLU A 30 -19.932 3.023 -0.941 1.00 0.00 O ATOM 0 H GLU A 30 -17.500 1.199 0.935 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.614 -1.308 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.974 -1.013 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.089 0.285 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.070 0.579 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.762 0.719 -1.818 1.00 0.00 H new ATOM 505 N ILE A 31 -17.813 -3.021 0.031 1.00 0.00 N ATOM 506 CA ILE A 31 -17.078 -4.081 -0.658 1.00 0.00 C ATOM 507 C ILE A 31 -17.045 -3.850 -2.173 1.00 0.00 C ATOM 508 O ILE A 31 -16.102 -4.256 -2.857 1.00 0.00 O ATOM 509 CB ILE A 31 -17.676 -5.470 -0.329 1.00 0.00 C ATOM 510 CG1 ILE A 31 -17.039 -6.564 -1.195 1.00 0.00 C ATOM 511 CG2 ILE A 31 -19.189 -5.452 -0.488 1.00 0.00 C ATOM 512 CD1 ILE A 31 -17.534 -7.958 -0.879 1.00 0.00 C ATOM 0 H ILE A 31 -18.627 -3.348 0.552 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.050 -4.055 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.449 -5.701 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.239 -6.347 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -15.957 -6.534 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.591 -6.437 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -19.617 -4.714 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -19.444 -5.192 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.038 -8.677 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.310 -8.197 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.611 -8.006 -1.038 1.00 0.00 H new ATOM 524 N SER A 32 -18.053 -3.161 -2.688 1.00 0.00 N ATOM 525 CA SER A 32 -18.105 -2.830 -4.103 1.00 0.00 C ATOM 526 C SER A 32 -16.985 -1.856 -4.482 1.00 0.00 C ATOM 527 O SER A 32 -16.501 -1.858 -5.614 1.00 0.00 O ATOM 528 CB SER A 32 -19.480 -2.253 -4.441 1.00 0.00 C ATOM 529 OG SER A 32 -19.981 -1.470 -3.367 1.00 0.00 O ATOM 0 H SER A 32 -18.847 -2.820 -2.145 1.00 0.00 H new ATOM 0 HA SER A 32 -17.952 -3.738 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.411 -1.641 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.175 -3.064 -4.660 1.00 0.00 H new ATOM 0 HG SER A 32 -20.860 -1.110 -3.607 1.00 0.00 H new ATOM 535 N LYS A 33 -16.554 -1.048 -3.518 1.00 0.00 N ATOM 536 CA LYS A 33 -15.472 -0.100 -3.749 1.00 0.00 C ATOM 537 C LYS A 33 -14.124 -0.733 -3.430 1.00 0.00 C ATOM 538 O LYS A 33 -13.089 -0.268 -3.904 1.00 0.00 O ATOM 539 CB LYS A 33 -15.677 1.170 -2.922 1.00 0.00 C ATOM 540 CG LYS A 33 -16.880 1.991 -3.363 1.00 0.00 C ATOM 541 CD LYS A 33 -16.706 2.547 -4.766 1.00 0.00 C ATOM 542 CE LYS A 33 -15.728 3.709 -4.791 1.00 0.00 C ATOM 543 NZ LYS A 33 -15.535 4.236 -6.168 1.00 0.00 N ATOM 0 H LYS A 33 -16.937 -1.031 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.482 0.174 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.798 0.897 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.781 1.787 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.775 1.370 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.034 2.813 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.351 1.758 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.672 2.876 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.094 4.506 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.769 3.386 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.971 5.109 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.038 3.527 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.461 4.441 -6.594 1.00 0.00 H new ATOM 557 N TRP A 34 -14.138 -1.797 -2.630 1.00 0.00 N ATOM 558 CA TRP A 34 -12.930 -2.574 -2.373 1.00 0.00 C ATOM 559 C TRP A 34 -12.362 -3.085 -3.695 1.00 0.00 C ATOM 560 O TRP A 34 -11.155 -3.024 -3.938 1.00 0.00 O ATOM 561 CB TRP A 34 -13.230 -3.744 -1.425 1.00 0.00 C ATOM 562 CG TRP A 34 -12.063 -4.667 -1.208 1.00 0.00 C ATOM 563 CD1 TRP A 34 -11.051 -4.518 -0.304 1.00 0.00 C ATOM 564 CD2 TRP A 34 -11.793 -5.887 -1.912 1.00 0.00 C ATOM 565 NE1 TRP A 34 -10.166 -5.566 -0.409 1.00 0.00 N ATOM 566 CE2 TRP A 34 -10.603 -6.419 -1.384 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.444 -6.580 -2.935 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -10.049 -7.609 -1.850 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.894 -7.760 -3.395 1.00 0.00 C ATOM 570 CH2 TRP A 34 -10.709 -8.266 -2.851 1.00 0.00 C ATOM 0 H TRP A 34 -14.971 -2.139 -2.150 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.191 -1.934 -1.891 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.550 -3.346 -0.462 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.065 -4.318 -1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.959 -3.697 0.392 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.321 -5.687 0.150 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -13.362 -6.200 -3.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.131 -7.999 -1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -12.387 -8.302 -4.189 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.307 -9.194 -3.229 1.00 0.00 H new ATOM 581 N ILE A 35 -13.253 -3.569 -4.550 1.00 0.00 N ATOM 582 CA ILE A 35 -12.873 -4.028 -5.879 1.00 0.00 C ATOM 583 C ILE A 35 -12.413 -2.849 -6.730 1.00 0.00 C ATOM 584 O ILE A 35 -11.375 -2.909 -7.391 1.00 0.00 O ATOM 585 CB ILE A 35 -14.056 -4.731 -6.584 1.00 0.00 C ATOM 586 CG1 ILE A 35 -14.629 -5.841 -5.695 1.00 0.00 C ATOM 587 CG2 ILE A 35 -13.612 -5.299 -7.926 1.00 0.00 C ATOM 588 CD1 ILE A 35 -15.870 -6.499 -6.261 1.00 0.00 C ATOM 0 H ILE A 35 -14.249 -3.654 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.057 -4.742 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.839 -3.994 -6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.864 -6.602 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.865 -5.424 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.456 -5.791 -8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.250 -4.491 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.812 -6.023 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.216 -7.273 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.653 -5.751 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.636 -6.947 -7.227 1.00 0.00 H new ATOM 600 N ASP A 36 -13.187 -1.766 -6.676 1.00 0.00 N ATOM 601 CA ASP A 36 -12.920 -0.568 -7.470 1.00 0.00 C ATOM 602 C ASP A 36 -11.540 0.012 -7.160 1.00 0.00 C ATOM 603 O ASP A 36 -10.779 0.339 -8.071 1.00 0.00 O ATOM 604 CB ASP A 36 -14.008 0.480 -7.217 1.00 0.00 C ATOM 605 CG ASP A 36 -13.826 1.741 -8.043 1.00 0.00 C ATOM 606 OD1 ASP A 36 -13.849 1.653 -9.294 1.00 0.00 O ATOM 607 OD2 ASP A 36 -13.700 2.829 -7.445 1.00 0.00 O ATOM 0 H ASP A 36 -14.014 -1.694 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.931 -0.850 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.982 0.045 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.011 0.743 -6.159 1.00 0.00 H new ATOM 612 N PHE A 37 -11.209 0.116 -5.878 1.00 0.00 N ATOM 613 CA PHE A 37 -9.912 0.645 -5.468 1.00 0.00 C ATOM 614 C PHE A 37 -8.785 -0.304 -5.871 1.00 0.00 C ATOM 615 O PHE A 37 -7.710 0.137 -6.280 1.00 0.00 O ATOM 616 CB PHE A 37 -9.869 0.897 -3.957 1.00 0.00 C ATOM 617 CG PHE A 37 -10.789 1.988 -3.485 1.00 0.00 C ATOM 618 CD1 PHE A 37 -11.258 2.954 -4.360 1.00 0.00 C ATOM 619 CD2 PHE A 37 -11.181 2.049 -2.157 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.099 3.958 -3.920 1.00 0.00 C ATOM 621 CE2 PHE A 37 -12.019 3.051 -1.712 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.481 4.006 -2.595 1.00 0.00 C ATOM 0 H PHE A 37 -11.818 -0.158 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.769 1.596 -5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.125 -0.027 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.848 1.150 -3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.963 2.922 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.826 1.303 -1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.457 4.705 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.313 3.088 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.140 4.789 -2.250 1.00 0.00 H new ATOM 632 N SER A 38 -9.039 -1.606 -5.773 1.00 0.00 N ATOM 633 CA SER A 38 -8.057 -2.604 -6.178 1.00 0.00 C ATOM 634 C SER A 38 -7.795 -2.512 -7.680 1.00 0.00 C ATOM 635 O SER A 38 -6.673 -2.733 -8.143 1.00 0.00 O ATOM 636 CB SER A 38 -8.531 -4.010 -5.799 1.00 0.00 C ATOM 637 OG SER A 38 -8.698 -4.126 -4.394 1.00 0.00 O ATOM 0 H SER A 38 -9.914 -1.992 -5.418 1.00 0.00 H new ATOM 0 HA SER A 38 -7.124 -2.405 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.474 -4.228 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.807 -4.748 -6.146 1.00 0.00 H new ATOM 0 HG SER A 38 -9.621 -3.899 -4.154 1.00 0.00 H new ATOM 643 N ASN A 39 -8.834 -2.163 -8.437 1.00 0.00 N ATOM 644 CA ASN A 39 -8.698 -1.939 -9.873 1.00 0.00 C ATOM 645 C ASN A 39 -7.746 -0.781 -10.137 1.00 0.00 C ATOM 646 O ASN A 39 -6.921 -0.836 -11.048 1.00 0.00 O ATOM 647 CB ASN A 39 -10.058 -1.647 -10.515 1.00 0.00 C ATOM 648 CG ASN A 39 -10.970 -2.856 -10.544 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.511 -3.994 -10.635 1.00 0.00 O ATOM 650 ND2 ASN A 39 -12.270 -2.617 -10.476 1.00 0.00 N ATOM 0 H ASN A 39 -9.779 -2.029 -8.078 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.293 -2.848 -10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.548 -0.842 -9.966 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.904 -1.290 -11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.933 -3.392 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.609 -1.658 -10.401 1.00 0.00 H new ATOM 657 N VAL A 40 -7.856 0.260 -9.319 1.00 0.00 N ATOM 658 CA VAL A 40 -6.976 1.418 -9.425 1.00 0.00 C ATOM 659 C VAL A 40 -5.539 1.022 -9.108 1.00 0.00 C ATOM 660 O VAL A 40 -4.609 1.391 -9.822 1.00 0.00 O ATOM 661 CB VAL A 40 -7.416 2.550 -8.473 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.526 3.773 -8.635 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.870 2.919 -8.719 1.00 0.00 C ATOM 0 H VAL A 40 -8.548 0.326 -8.573 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.038 1.784 -10.450 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.316 2.188 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.857 4.557 -7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.494 3.505 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.588 4.135 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.163 3.719 -8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.991 3.256 -9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.501 2.047 -8.547 1.00 0.00 H new ATOM 673 N LEU A 41 -5.372 0.237 -8.049 1.00 0.00 N ATOM 674 CA LEU A 41 -4.051 -0.213 -7.624 1.00 0.00 C ATOM 675 C LEU A 41 -3.407 -1.120 -8.670 1.00 0.00 C ATOM 676 O LEU A 41 -2.188 -1.261 -8.715 1.00 0.00 O ATOM 677 CB LEU A 41 -4.139 -0.951 -6.287 1.00 0.00 C ATOM 678 CG LEU A 41 -4.672 -0.123 -5.115 1.00 0.00 C ATOM 679 CD1 LEU A 41 -4.708 -0.965 -3.853 1.00 0.00 C ATOM 680 CD2 LEU A 41 -3.821 1.121 -4.900 1.00 0.00 C ATOM 0 H LEU A 41 -6.138 -0.102 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.427 0.673 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.779 -1.824 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.146 -1.319 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.686 0.197 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.089 -0.365 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.360 -1.825 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.701 -1.310 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.219 1.694 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.794 0.826 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.840 1.735 -5.801 1.00 0.00 H new ATOM 692 N SER A 42 -4.229 -1.718 -9.523 1.00 0.00 N ATOM 693 CA SER A 42 -3.734 -2.615 -10.558 1.00 0.00 C ATOM 694 C SER A 42 -3.044 -1.841 -11.684 1.00 0.00 C ATOM 695 O SER A 42 -2.349 -2.429 -12.514 1.00 0.00 O ATOM 696 CB SER A 42 -4.881 -3.461 -11.109 1.00 0.00 C ATOM 697 OG SER A 42 -5.466 -4.245 -10.081 1.00 0.00 O ATOM 0 H SER A 42 -5.242 -1.598 -9.518 1.00 0.00 H new ATOM 0 HA SER A 42 -2.991 -3.275 -10.110 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.636 -2.813 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.512 -4.110 -11.903 1.00 0.00 H new ATOM 0 HG SER A 42 -5.867 -3.656 -9.408 1.00 0.00 H new ATOM 703 N ARG A 43 -3.235 -0.524 -11.711 1.00 0.00 N ATOM 704 CA ARG A 43 -2.548 0.325 -12.681 1.00 0.00 C ATOM 705 C ARG A 43 -1.539 1.212 -11.955 1.00 0.00 C ATOM 706 O ARG A 43 -0.846 2.032 -12.567 1.00 0.00 O ATOM 707 CB ARG A 43 -3.545 1.211 -13.448 1.00 0.00 C ATOM 708 CG ARG A 43 -3.968 2.458 -12.681 1.00 0.00 C ATOM 709 CD ARG A 43 -4.773 3.422 -13.540 1.00 0.00 C ATOM 710 NE ARG A 43 -4.754 4.774 -12.976 1.00 0.00 N ATOM 711 CZ ARG A 43 -5.751 5.654 -13.066 1.00 0.00 C ATOM 712 NH1 ARG A 43 -6.880 5.347 -13.689 1.00 0.00 N ATOM 713 NH2 ARG A 43 -5.603 6.857 -12.528 1.00 0.00 N ATOM 0 H ARG A 43 -3.857 -0.024 -11.076 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.037 -0.318 -13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.097 1.512 -14.395 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.431 0.623 -13.687 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.562 2.165 -11.815 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.081 2.967 -12.302 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.365 3.441 -14.551 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.802 3.072 -13.618 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.913 5.064 -12.476 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.996 4.425 -14.109 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.633 6.033 -13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.734 7.100 -12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.358 7.540 -12.590 1.00 0.00 H new ATOM 727 N LEU A 44 -1.462 1.032 -10.644 1.00 0.00 N ATOM 728 CA LEU A 44 -0.704 1.930 -9.789 1.00 0.00 C ATOM 729 C LEU A 44 0.559 1.247 -9.276 1.00 0.00 C ATOM 730 O LEU A 44 0.524 0.102 -8.824 1.00 0.00 O ATOM 731 CB LEU A 44 -1.599 2.396 -8.629 1.00 0.00 C ATOM 732 CG LEU A 44 -1.109 3.615 -7.838 1.00 0.00 C ATOM 733 CD1 LEU A 44 -2.288 4.324 -7.195 1.00 0.00 C ATOM 734 CD2 LEU A 44 -0.112 3.204 -6.766 1.00 0.00 C ATOM 0 H LEU A 44 -1.919 0.267 -10.148 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.389 2.801 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.587 2.623 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.720 1.564 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.611 4.292 -8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.931 5.189 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.981 4.654 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.799 3.639 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.220 4.087 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.587 2.507 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.747 2.723 -7.233 1.00 0.00 H new ATOM 746 N TYR A 45 1.672 1.952 -9.368 1.00 0.00 N ATOM 747 CA TYR A 45 2.945 1.441 -8.892 1.00 0.00 C ATOM 748 C TYR A 45 3.514 2.344 -7.810 1.00 0.00 C ATOM 749 O TYR A 45 3.914 3.478 -8.080 1.00 0.00 O ATOM 750 CB TYR A 45 3.945 1.318 -10.044 1.00 0.00 C ATOM 751 CG TYR A 45 3.771 0.069 -10.875 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.899 0.036 -11.956 1.00 0.00 C ATOM 753 CD2 TYR A 45 4.488 -1.082 -10.574 1.00 0.00 C ATOM 754 CE1 TYR A 45 2.749 -1.111 -12.713 1.00 0.00 C ATOM 755 CE2 TYR A 45 4.344 -2.228 -11.324 1.00 0.00 C ATOM 756 CZ TYR A 45 3.476 -2.239 -12.391 1.00 0.00 C ATOM 757 OH TYR A 45 3.331 -3.385 -13.136 1.00 0.00 O ATOM 0 H TYR A 45 1.720 2.888 -9.771 1.00 0.00 H new ATOM 0 HA TYR A 45 2.772 0.451 -8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.848 2.190 -10.691 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.956 1.334 -9.638 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.330 0.919 -12.209 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.170 -1.078 -9.737 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.067 -1.124 -13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.910 -3.114 -11.076 1.00 0.00 H new ATOM 0 HH TYR A 45 4.171 -3.890 -13.126 1.00 0.00 H new ATOM 767 N VAL A 46 3.527 1.843 -6.586 1.00 0.00 N ATOM 768 CA VAL A 46 4.138 2.558 -5.478 1.00 0.00 C ATOM 769 C VAL A 46 5.648 2.392 -5.560 1.00 0.00 C ATOM 770 O VAL A 46 6.137 1.278 -5.659 1.00 0.00 O ATOM 771 CB VAL A 46 3.645 2.026 -4.115 1.00 0.00 C ATOM 772 CG1 VAL A 46 4.215 2.850 -2.970 1.00 0.00 C ATOM 773 CG2 VAL A 46 2.127 2.011 -4.055 1.00 0.00 C ATOM 0 H VAL A 46 3.120 0.942 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 46 3.857 3.609 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 46 4.002 1.002 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.852 2.454 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.304 2.799 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.898 3.888 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.805 1.632 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.747 3.023 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.738 1.367 -4.843 1.00 0.00 H new ATOM 783 N GLY A 47 6.384 3.486 -5.546 1.00 0.00 N ATOM 784 CA GLY A 47 7.824 3.386 -5.671 1.00 0.00 C ATOM 785 C GLY A 47 8.549 3.912 -4.457 1.00 0.00 C ATOM 786 O GLY A 47 9.653 4.444 -4.565 1.00 0.00 O ATOM 0 H GLY A 47 6.019 4.434 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.100 2.344 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.148 3.940 -6.552 1.00 0.00 H new ATOM 790 N VAL A 48 7.930 3.765 -3.295 1.00 0.00 N ATOM 791 CA VAL A 48 8.500 4.282 -2.057 1.00 0.00 C ATOM 792 C VAL A 48 8.560 3.195 -0.990 1.00 0.00 C ATOM 793 O VAL A 48 7.527 2.708 -0.536 1.00 0.00 O ATOM 794 CB VAL A 48 7.685 5.475 -1.508 1.00 0.00 C ATOM 795 CG1 VAL A 48 8.352 6.061 -0.273 1.00 0.00 C ATOM 796 CG2 VAL A 48 7.499 6.548 -2.573 1.00 0.00 C ATOM 0 H VAL A 48 7.033 3.292 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 48 9.508 4.621 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 48 6.700 5.104 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.761 6.899 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.421 5.296 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.353 6.408 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.922 7.375 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.474 6.912 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.967 6.126 -3.426 1.00 0.00 H new ATOM 806 N PRO A 49 9.774 2.764 -0.616 1.00 0.00 N ATOM 807 CA PRO A 49 9.982 1.887 0.532 1.00 0.00 C ATOM 808 C PRO A 49 9.846 2.664 1.839 1.00 0.00 C ATOM 809 O PRO A 49 10.746 3.416 2.226 1.00 0.00 O ATOM 810 CB PRO A 49 11.419 1.370 0.354 1.00 0.00 C ATOM 811 CG PRO A 49 11.860 1.851 -0.992 1.00 0.00 C ATOM 812 CD PRO A 49 11.036 3.067 -1.293 1.00 0.00 C ATOM 0 HA PRO A 49 9.250 1.081 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.072 1.751 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.453 0.282 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.923 2.092 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.709 1.081 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.497 3.976 -0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.898 3.210 -2.365 1.00 0.00 H new ATOM 820 N THR A 50 8.711 2.501 2.500 1.00 0.00 N ATOM 821 CA THR A 50 8.396 3.297 3.674 1.00 0.00 C ATOM 822 C THR A 50 8.031 2.434 4.880 1.00 0.00 C ATOM 823 O THR A 50 8.047 1.202 4.815 1.00 0.00 O ATOM 824 CB THR A 50 7.221 4.242 3.376 1.00 0.00 C ATOM 825 OG1 THR A 50 6.737 4.017 2.045 1.00 0.00 O ATOM 826 CG2 THR A 50 7.635 5.697 3.532 1.00 0.00 C ATOM 0 H THR A 50 7.993 1.824 2.243 1.00 0.00 H new ATOM 0 HA THR A 50 9.294 3.866 3.916 1.00 0.00 H new ATOM 0 HB THR A 50 6.427 4.032 4.093 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.988 4.622 1.863 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.784 6.343 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.972 5.872 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.446 5.921 2.839 1.00 0.00 H new ATOM 834 N LYS A 51 7.702 3.104 5.983 1.00 0.00 N ATOM 835 CA LYS A 51 7.275 2.435 7.204 1.00 0.00 C ATOM 836 C LYS A 51 5.765 2.205 7.184 1.00 0.00 C ATOM 837 O LYS A 51 5.092 2.555 6.217 1.00 0.00 O ATOM 838 CB LYS A 51 7.661 3.274 8.427 1.00 0.00 C ATOM 839 CG LYS A 51 6.938 4.611 8.508 1.00 0.00 C ATOM 840 CD LYS A 51 7.400 5.418 9.710 1.00 0.00 C ATOM 841 CE LYS A 51 6.605 6.704 9.871 1.00 0.00 C ATOM 842 NZ LYS A 51 5.167 6.446 10.160 1.00 0.00 N ATOM 0 H LYS A 51 7.725 4.121 6.053 1.00 0.00 H new ATOM 0 HA LYS A 51 7.775 1.469 7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.449 2.702 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.736 3.453 8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.117 5.179 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.863 4.442 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.300 4.814 10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.458 5.657 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.035 7.296 10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.690 7.298 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.717 7.323 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.692 6.120 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.086 5.715 10.895 1.00 0.00 H new ATOM 856 N SER A 52 5.238 1.635 8.255 1.00 0.00 N ATOM 857 CA SER A 52 3.822 1.327 8.335 1.00 0.00 C ATOM 858 C SER A 52 2.996 2.588 8.566 1.00 0.00 C ATOM 859 O SER A 52 3.396 3.482 9.313 1.00 0.00 O ATOM 860 CB SER A 52 3.577 0.307 9.445 1.00 0.00 C ATOM 861 OG SER A 52 4.439 0.535 10.546 1.00 0.00 O ATOM 0 H SER A 52 5.773 1.376 9.084 1.00 0.00 H new ATOM 0 HA SER A 52 3.506 0.898 7.384 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.539 0.365 9.774 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.734 -0.700 9.059 1.00 0.00 H new ATOM 0 HG SER A 52 4.261 -0.130 11.244 1.00 0.00 H new ATOM 867 N GLY A 53 1.855 2.659 7.898 1.00 0.00 N ATOM 868 CA GLY A 53 0.991 3.810 8.029 1.00 0.00 C ATOM 869 C GLY A 53 1.376 4.910 7.068 1.00 0.00 C ATOM 870 O GLY A 53 1.230 6.092 7.376 1.00 0.00 O ATOM 0 H GLY A 53 1.512 1.936 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.042 3.512 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.039 4.186 9.051 1.00 0.00 H new ATOM 874 N ASN A 54 1.886 4.526 5.905 1.00 0.00 N ATOM 875 CA ASN A 54 2.275 5.510 4.894 1.00 0.00 C ATOM 876 C ASN A 54 1.156 5.691 3.873 1.00 0.00 C ATOM 877 O ASN A 54 0.639 4.718 3.327 1.00 0.00 O ATOM 878 CB ASN A 54 3.594 5.125 4.195 1.00 0.00 C ATOM 879 CG ASN A 54 3.493 3.884 3.321 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.842 2.735 3.875 1.00 0.00 O flip ATOM 881 ND2 ASN A 54 3.143 3.960 2.145 1.00 0.00 N flip ATOM 0 H ASN A 54 2.040 3.554 5.637 1.00 0.00 H new ATOM 0 HA ASN A 54 2.445 6.458 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.926 5.963 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.360 4.962 4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.880 4.862 1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.116 3.121 1.566 1.00 0.00 H new ATOM 888 N VAL A 55 0.768 6.939 3.639 1.00 0.00 N ATOM 889 CA VAL A 55 -0.327 7.236 2.726 1.00 0.00 C ATOM 890 C VAL A 55 0.161 7.265 1.282 1.00 0.00 C ATOM 891 O VAL A 55 1.042 8.053 0.933 1.00 0.00 O ATOM 892 CB VAL A 55 -0.994 8.595 3.051 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.180 8.852 2.133 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.424 8.655 4.506 1.00 0.00 C ATOM 0 H VAL A 55 1.195 7.760 4.068 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.062 6.441 2.853 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.255 9.378 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.631 9.813 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.842 8.867 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.918 8.060 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.890 9.620 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.139 7.858 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.552 8.531 5.148 1.00 0.00 H new ATOM 904 N VAL A 56 -0.410 6.403 0.453 1.00 0.00 N ATOM 905 CA VAL A 56 -0.088 6.380 -0.966 1.00 0.00 C ATOM 906 C VAL A 56 -0.903 7.435 -1.696 1.00 0.00 C ATOM 907 O VAL A 56 -0.362 8.362 -2.301 1.00 0.00 O ATOM 908 CB VAL A 56 -0.384 5.003 -1.599 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.070 4.965 -3.050 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.275 3.895 -0.800 1.00 0.00 C ATOM 0 H VAL A 56 -1.100 5.709 0.740 1.00 0.00 H new ATOM 0 HA VAL A 56 0.978 6.584 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.462 4.844 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.149 3.985 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.458 5.732 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.143 5.151 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.055 2.933 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.354 4.051 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.109 3.904 0.220 1.00 0.00 H new ATOM 920 N CYS A 57 -2.214 7.280 -1.633 1.00 0.00 N ATOM 921 CA CYS A 57 -3.126 8.207 -2.271 1.00 0.00 C ATOM 922 C CYS A 57 -4.206 8.640 -1.294 1.00 0.00 C ATOM 923 O CYS A 57 -4.930 7.804 -0.746 1.00 0.00 O ATOM 924 CB CYS A 57 -3.761 7.558 -3.503 1.00 0.00 C ATOM 925 SG CYS A 57 -2.565 7.045 -4.761 1.00 0.00 S ATOM 0 H CYS A 57 -2.672 6.513 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.565 9.087 -2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.337 6.688 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.464 8.261 -3.950 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.348 5.767 -4.658 1.00 0.00 H new ATOM 931 N LYS A 58 -4.296 9.936 -1.056 1.00 0.00 N ATOM 932 CA LYS A 58 -5.356 10.478 -0.229 1.00 0.00 C ATOM 933 C LYS A 58 -6.532 10.862 -1.118 1.00 0.00 C ATOM 934 O LYS A 58 -6.335 11.436 -2.191 1.00 0.00 O ATOM 935 CB LYS A 58 -4.866 11.691 0.563 1.00 0.00 C ATOM 936 CG LYS A 58 -5.862 12.169 1.602 1.00 0.00 C ATOM 937 CD LYS A 58 -5.277 13.251 2.490 1.00 0.00 C ATOM 938 CE LYS A 58 -6.159 13.497 3.702 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.567 14.488 4.632 1.00 0.00 N ATOM 0 H LYS A 58 -3.647 10.632 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.672 9.721 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.928 11.439 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.653 12.506 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.752 12.551 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.178 11.326 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.279 12.959 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.169 14.174 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.137 13.849 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.320 12.557 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.202 14.625 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.646 14.142 4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.437 15.394 4.138 1.00 0.00 H new ATOM 953 N ASN A 59 -7.740 10.526 -0.678 1.00 0.00 N ATOM 954 CA ASN A 59 -8.953 10.770 -1.456 1.00 0.00 C ATOM 955 C ASN A 59 -8.928 9.952 -2.742 1.00 0.00 C ATOM 956 O ASN A 59 -9.049 10.501 -3.838 1.00 0.00 O ATOM 957 CB ASN A 59 -9.131 12.260 -1.792 1.00 0.00 C ATOM 958 CG ASN A 59 -9.551 13.097 -0.600 1.00 0.00 C ATOM 959 OD1 ASN A 59 -9.210 12.799 0.545 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.304 14.152 -0.863 1.00 0.00 N ATOM 0 H ASN A 59 -7.907 10.079 0.223 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.800 10.463 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.194 12.650 -2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.878 12.361 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.624 14.753 -0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.565 14.365 -1.826 1.00 0.00 H new ATOM 967 N ILE A 60 -8.785 8.637 -2.608 1.00 0.00 N ATOM 968 CA ILE A 60 -8.699 7.768 -3.777 1.00 0.00 C ATOM 969 C ILE A 60 -10.047 7.711 -4.494 1.00 0.00 C ATOM 970 O ILE A 60 -11.080 7.438 -3.874 1.00 0.00 O ATOM 971 CB ILE A 60 -8.212 6.343 -3.411 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.128 5.461 -4.664 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.117 5.711 -2.364 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.558 4.082 -4.404 1.00 0.00 C ATOM 0 H ILE A 60 -8.727 8.154 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.956 8.196 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.212 6.426 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.125 5.357 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.512 5.964 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.754 4.712 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.114 6.324 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.133 5.644 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.530 3.518 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.548 4.175 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.185 3.559 -3.682 1.00 0.00 H new ATOM 986 N MET A 61 -10.030 8.020 -5.792 1.00 0.00 N ATOM 987 CA MET A 61 -11.250 8.125 -6.597 1.00 0.00 C ATOM 988 C MET A 61 -12.105 9.279 -6.081 1.00 0.00 C ATOM 989 O MET A 61 -13.317 9.321 -6.302 1.00 0.00 O ATOM 990 CB MET A 61 -12.051 6.814 -6.580 1.00 0.00 C ATOM 991 CG MET A 61 -11.323 5.640 -7.216 1.00 0.00 C ATOM 992 SD MET A 61 -10.964 5.901 -8.966 1.00 0.00 S ATOM 993 CE MET A 61 -12.619 5.976 -9.651 1.00 0.00 C ATOM 0 H MET A 61 -9.173 8.204 -6.314 1.00 0.00 H new ATOM 0 HA MET A 61 -10.963 8.319 -7.631 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.295 6.562 -5.548 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.995 6.970 -7.102 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.390 5.465 -6.681 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.928 4.740 -7.105 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.575 5.813 -10.728 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.238 5.205 -9.192 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.052 6.956 -9.450 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.438 10.226 -5.418 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.087 11.370 -4.770 1.00 0.00 C ATOM 1005 C ASN A 62 -13.222 10.906 -3.862 1.00 0.00 C ATOM 1006 O ASN A 62 -14.405 11.089 -4.161 1.00 0.00 O ATOM 1007 CB ASN A 62 -12.593 12.395 -5.792 1.00 0.00 C ATOM 1008 CG ASN A 62 -13.067 13.678 -5.124 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -12.580 14.046 -4.055 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -14.012 14.366 -5.745 1.00 0.00 N ATOM 0 H ASN A 62 -10.423 10.221 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.334 11.866 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.796 12.627 -6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.412 11.961 -6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.361 15.234 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.391 14.028 -6.630 1.00 0.00 H new ATOM 1017 N THR A 63 -12.842 10.260 -2.776 1.00 0.00 N ATOM 1018 CA THR A 63 -13.791 9.779 -1.792 1.00 0.00 C ATOM 1019 C THR A 63 -13.611 10.506 -0.464 1.00 0.00 C ATOM 1020 O THR A 63 -14.577 10.781 0.247 1.00 0.00 O ATOM 1021 CB THR A 63 -13.614 8.269 -1.573 1.00 0.00 C ATOM 1022 OG1 THR A 63 -12.213 7.966 -1.489 1.00 0.00 O ATOM 1023 CG2 THR A 63 -14.246 7.474 -2.706 1.00 0.00 C ATOM 0 H THR A 63 -11.868 10.055 -2.552 1.00 0.00 H new ATOM 0 HA THR A 63 -14.794 9.976 -2.170 1.00 0.00 H new ATOM 0 HB THR A 63 -14.113 7.990 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.885 7.690 -2.370 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.106 6.408 -2.525 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.312 7.696 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.774 7.747 -3.650 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.364 10.829 -0.148 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.056 11.442 1.129 1.00 0.00 C ATOM 1033 C GLY A 64 -11.413 10.454 2.076 1.00 0.00 C ATOM 1034 O GLY A 64 -11.248 10.728 3.263 1.00 0.00 O ATOM 0 H GLY A 64 -11.558 10.677 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.387 12.289 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.970 11.834 1.576 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.052 9.293 1.546 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.468 8.230 2.347 1.00 0.00 C ATOM 1040 C VAL A 65 -8.959 8.148 2.108 1.00 0.00 C ATOM 1041 O VAL A 65 -8.465 8.603 1.074 1.00 0.00 O ATOM 1042 CB VAL A 65 -11.140 6.879 2.008 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -10.517 6.229 0.781 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -11.116 5.941 3.201 1.00 0.00 C ATOM 0 H VAL A 65 -11.155 9.064 0.557 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.638 8.453 3.400 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.182 7.087 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.018 5.282 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.629 6.891 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.458 6.047 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.595 4.999 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.083 5.752 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.652 6.397 4.033 1.00 0.00 H new ATOM 1054 N ASP A 66 -8.234 7.582 3.061 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.788 7.446 2.942 1.00 0.00 C ATOM 1056 C ASP A 66 -6.416 5.985 2.731 1.00 0.00 C ATOM 1057 O ASP A 66 -6.988 5.091 3.361 1.00 0.00 O ATOM 1058 CB ASP A 66 -6.074 7.972 4.196 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.290 9.454 4.437 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -7.350 9.826 4.990 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -5.390 10.251 4.103 1.00 0.00 O ATOM 0 H ASP A 66 -8.623 7.209 3.927 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.468 8.038 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.425 7.415 5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.005 7.779 4.104 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.475 5.743 1.831 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.954 4.400 1.614 1.00 0.00 C ATOM 1068 C ILE A 67 -3.510 4.333 2.091 1.00 0.00 C ATOM 1069 O ILE A 67 -2.641 5.032 1.562 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.019 3.987 0.126 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.452 4.094 -0.404 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.485 2.571 -0.061 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.445 3.229 0.341 1.00 0.00 C ATOM 0 H ILE A 67 -5.056 6.459 1.238 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.576 3.708 2.181 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.391 4.671 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.774 5.134 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.461 3.816 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.539 2.298 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.448 2.526 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.086 1.875 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.437 3.359 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.148 2.183 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.466 3.521 1.391 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.258 3.502 3.091 1.00 0.00 N ATOM 1086 CA ILE A 68 -1.946 3.443 3.715 1.00 0.00 C ATOM 1087 C ILE A 68 -1.364 2.033 3.678 1.00 0.00 C ATOM 1088 O ILE A 68 -2.064 1.052 3.927 1.00 0.00 O ATOM 1089 CB ILE A 68 -1.996 3.932 5.183 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -2.978 3.093 6.006 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.380 5.404 5.240 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.028 3.481 7.469 1.00 0.00 C ATOM 0 H ILE A 68 -3.944 2.860 3.487 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.301 4.105 3.138 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.002 3.813 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.975 3.192 5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.700 2.042 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.411 5.732 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.643 5.994 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.362 5.542 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.744 2.845 7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.041 3.355 7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.335 4.523 7.559 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.084 1.933 3.358 1.00 0.00 N ATOM 1105 CA CYS A 69 0.611 0.658 3.429 1.00 0.00 C ATOM 1106 C CYS A 69 1.051 0.421 4.865 1.00 0.00 C ATOM 1107 O CYS A 69 1.577 1.327 5.514 1.00 0.00 O ATOM 1108 CB CYS A 69 1.837 0.643 2.515 1.00 0.00 C ATOM 1109 SG CYS A 69 1.638 1.567 0.981 1.00 0.00 S ATOM 0 H CYS A 69 0.493 2.715 3.048 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.067 -0.129 3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.687 1.051 3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.081 -0.391 2.272 1.00 0.00 H new ATOM 0 HG CYS A 69 2.733 1.491 0.284 1.00 0.00 H new ATOM 1115 N THR A 70 0.836 -0.779 5.371 1.00 0.00 N ATOM 1116 CA THR A 70 1.158 -1.062 6.760 1.00 0.00 C ATOM 1117 C THR A 70 2.362 -1.997 6.870 1.00 0.00 C ATOM 1118 O THR A 70 2.752 -2.406 7.965 1.00 0.00 O ATOM 1119 CB THR A 70 -0.062 -1.670 7.494 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.214 -1.824 8.894 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.445 -3.017 6.896 1.00 0.00 C ATOM 0 H THR A 70 0.445 -1.565 4.851 1.00 0.00 H new ATOM 0 HA THR A 70 1.417 -0.117 7.238 1.00 0.00 H new ATOM 0 HB THR A 70 -0.898 -0.982 7.369 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.132 -2.147 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.305 -3.421 7.431 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.699 -2.889 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.395 -3.706 6.985 1.00 0.00 H new ATOM 1129 N LYS A 71 2.955 -2.327 5.737 1.00 0.00 N ATOM 1130 CA LYS A 71 4.159 -3.135 5.724 1.00 0.00 C ATOM 1131 C LYS A 71 5.379 -2.228 5.624 1.00 0.00 C ATOM 1132 O LYS A 71 5.331 -1.189 4.970 1.00 0.00 O ATOM 1133 CB LYS A 71 4.124 -4.127 4.557 1.00 0.00 C ATOM 1134 CG LYS A 71 5.375 -4.981 4.428 1.00 0.00 C ATOM 1135 CD LYS A 71 5.596 -5.841 5.660 1.00 0.00 C ATOM 1136 CE LYS A 71 6.904 -6.609 5.574 1.00 0.00 C ATOM 1137 NZ LYS A 71 7.151 -7.420 6.792 1.00 0.00 N ATOM 0 H LYS A 71 2.622 -2.048 4.814 1.00 0.00 H new ATOM 0 HA LYS A 71 4.218 -3.707 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.261 -4.782 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.978 -3.574 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.291 -5.619 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.241 -4.337 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.600 -5.211 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.768 -6.541 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.885 -7.262 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.727 -5.909 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.053 -7.928 6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.195 -6.795 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.379 -8.106 6.915 1.00 0.00 H new ATOM 1151 N ASN A 72 6.451 -2.604 6.298 1.00 0.00 N ATOM 1152 CA ASN A 72 7.679 -1.821 6.272 1.00 0.00 C ATOM 1153 C ASN A 72 8.569 -2.310 5.142 1.00 0.00 C ATOM 1154 O ASN A 72 8.929 -3.487 5.100 1.00 0.00 O ATOM 1155 CB ASN A 72 8.427 -1.932 7.609 1.00 0.00 C ATOM 1156 CG ASN A 72 7.545 -1.651 8.816 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.494 -0.872 8.618 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 7.799 -2.142 9.915 1.00 0.00 N flip ATOM 0 H ASN A 72 6.499 -3.446 6.871 1.00 0.00 H new ATOM 0 HA ASN A 72 7.421 -0.774 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.848 -2.933 7.700 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.264 -1.234 7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.619 -2.738 10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.190 -1.953 10.711 1.00 0.00 H new ATOM 1165 N LEU A 73 8.906 -1.424 4.214 1.00 0.00 N ATOM 1166 CA LEU A 73 9.730 -1.810 3.074 1.00 0.00 C ATOM 1167 C LEU A 73 11.191 -1.437 3.307 1.00 0.00 C ATOM 1168 O LEU A 73 11.536 -0.255 3.359 1.00 0.00 O ATOM 1169 CB LEU A 73 9.238 -1.159 1.774 1.00 0.00 C ATOM 1170 CG LEU A 73 7.859 -1.598 1.267 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.716 -3.111 1.326 1.00 0.00 C ATOM 1172 CD2 LEU A 73 6.746 -0.912 2.043 1.00 0.00 C ATOM 0 H LEU A 73 8.626 -0.443 4.226 1.00 0.00 H new ATOM 0 HA LEU A 73 9.646 -2.892 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.220 -0.079 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.970 -1.363 0.992 1.00 0.00 H new ATOM 0 HG LEU A 73 7.772 -1.293 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.730 -3.398 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.482 -3.573 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.834 -3.448 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.780 -1.242 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.827 -1.169 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.833 0.168 1.925 1.00 0.00 H new ATOM 1184 N PRO A 74 12.066 -2.440 3.459 1.00 0.00 N ATOM 1185 CA PRO A 74 13.493 -2.230 3.629 1.00 0.00 C ATOM 1186 C PRO A 74 14.214 -2.144 2.289 1.00 0.00 C ATOM 1187 O PRO A 74 14.545 -3.165 1.682 1.00 0.00 O ATOM 1188 CB PRO A 74 13.954 -3.471 4.410 1.00 0.00 C ATOM 1189 CG PRO A 74 12.795 -4.431 4.404 1.00 0.00 C ATOM 1190 CD PRO A 74 11.745 -3.866 3.482 1.00 0.00 C ATOM 0 HA PRO A 74 13.712 -1.293 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.832 -3.919 3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.234 -3.206 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.115 -5.416 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.395 -4.556 5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.800 -4.309 2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.738 -4.048 3.857 1.00 0.00 H new