USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 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 17 SER OG : rot 83:sc= 2.75 USER MOD Set 1.2: A 40 TYR OH : rot 46:sc= 2.12 USER MOD Set 1.3: A 48 THR OG1 : rot -43:sc= -0.566! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.191 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 152:sc= 1.22 USER MOD Single : A 6 THR OG1 : rot -72:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -73:sc= 0.995 USER MOD Single : A 46 MET CE :methyl 132:sc= -0.207 (180deg=-0.917) USER MOD Single : A 54 SER OG : rot 92:sc= 1.22 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00895 USER MOD Single : A 79 ASN : amide:sc= 0.896 K(o=0.9,f=-10!) USER MOD Single : A 87 PSR O33 : rot -121:sc= 0.235 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.902 9.770 3.213 1.00 3.26 N ATOM 2 CA MET A 1 19.444 9.776 3.195 1.00 3.05 C ATOM 3 C MET A 1 18.957 8.414 2.809 1.00 2.56 C ATOM 4 O MET A 1 19.748 7.553 2.437 1.00 2.94 O ATOM 5 CB MET A 1 18.885 10.790 2.186 1.00 3.74 C ATOM 6 CG MET A 1 19.203 12.238 2.464 1.00 4.31 C ATOM 7 SD MET A 1 18.402 13.339 1.278 1.00 5.28 S ATOM 8 CE MET A 1 19.025 14.926 1.827 1.00 5.97 C ATOM 0 H1 MET A 1 21.239 10.029 4.162 1.00 3.26 H new ATOM 0 H2 MET A 1 21.248 8.820 2.971 1.00 3.26 H new ATOM 0 H3 MET A 1 21.261 10.457 2.519 1.00 3.26 H new ATOM 0 HA MET A 1 19.101 10.056 4.191 1.00 3.05 H new ATOM 0 HB2 MET A 1 19.267 10.537 1.197 1.00 3.74 H new ATOM 0 HB3 MET A 1 17.802 10.677 2.148 1.00 3.74 H new ATOM 0 HG2 MET A 1 18.880 12.494 3.473 1.00 4.31 H new ATOM 0 HG3 MET A 1 20.282 12.387 2.427 1.00 4.31 H new ATOM 0 HE1 MET A 1 18.621 15.715 1.193 1.00 5.97 H new ATOM 0 HE2 MET A 1 18.721 15.099 2.859 1.00 5.97 H new ATOM 0 HE3 MET A 1 20.113 14.931 1.764 1.00 5.97 H new ATOM 20 N ALA A 2 17.674 8.217 2.899 1.00 2.10 N ATOM 21 CA ALA A 2 17.050 6.993 2.493 1.00 1.73 C ATOM 22 C ALA A 2 15.781 7.357 1.785 1.00 1.51 C ATOM 23 O ALA A 2 15.015 8.192 2.279 1.00 1.50 O ATOM 24 CB ALA A 2 16.751 6.110 3.700 1.00 1.60 C ATOM 0 H ALA A 2 17.023 8.913 3.262 1.00 2.10 H new ATOM 0 HA ALA A 2 17.712 6.428 1.837 1.00 1.73 H new ATOM 0 HB1 ALA A 2 16.277 5.186 3.367 1.00 1.60 H new ATOM 0 HB2 ALA A 2 17.681 5.875 4.218 1.00 1.60 H new ATOM 0 HB3 ALA A 2 16.081 6.637 4.379 1.00 1.60 H new ATOM 30 N THR A 3 15.578 6.818 0.629 1.00 1.47 N ATOM 31 CA THR A 3 14.387 7.102 -0.102 1.00 1.37 C ATOM 32 C THR A 3 13.257 6.225 0.425 1.00 1.07 C ATOM 33 O THR A 3 13.218 5.017 0.200 1.00 1.10 O ATOM 34 CB THR A 3 14.649 6.855 -1.602 1.00 1.63 C ATOM 35 OG1 THR A 3 15.292 5.585 -1.785 1.00 2.22 O ATOM 36 CG2 THR A 3 15.546 7.944 -2.168 1.00 2.02 C ATOM 0 H THR A 3 16.223 6.176 0.168 1.00 1.47 H new ATOM 0 HA THR A 3 14.093 8.144 0.025 1.00 1.37 H new ATOM 0 HB THR A 3 13.692 6.864 -2.123 1.00 1.63 H new ATOM 0 HG1 THR A 3 15.068 5.229 -2.670 1.00 2.22 H new ATOM 0 HG21 THR A 3 15.722 7.756 -3.227 1.00 2.02 H new ATOM 0 HG22 THR A 3 15.062 8.913 -2.047 1.00 2.02 H new ATOM 0 HG23 THR A 3 16.498 7.944 -1.636 1.00 2.02 H new ATOM 44 N LEU A 4 12.374 6.835 1.173 1.00 0.91 N ATOM 45 CA LEU A 4 11.281 6.132 1.782 1.00 0.65 C ATOM 46 C LEU A 4 9.995 6.784 1.352 1.00 0.63 C ATOM 47 O LEU A 4 10.002 7.935 0.898 1.00 0.84 O ATOM 48 CB LEU A 4 11.398 6.188 3.319 1.00 0.62 C ATOM 49 CG LEU A 4 12.709 5.673 3.938 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.669 5.807 5.451 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.982 4.228 3.539 1.00 0.51 C ATOM 0 H LEU A 4 12.395 7.834 1.376 1.00 0.91 H new ATOM 0 HA LEU A 4 11.300 5.088 1.470 1.00 0.65 H new ATOM 0 HB2 LEU A 4 11.259 7.223 3.632 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.574 5.613 3.743 1.00 0.62 H new ATOM 0 HG LEU A 4 13.524 6.285 3.552 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.604 5.438 5.874 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.537 6.855 5.720 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.837 5.224 5.846 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.915 3.895 3.993 1.00 0.51 H new ATOM 0 HD22 LEU A 4 12.165 3.595 3.884 1.00 0.51 H new ATOM 0 HD23 LEU A 4 13.061 4.159 2.454 1.00 0.51 H new ATOM 63 N LEU A 5 8.922 6.079 1.475 1.00 0.44 N ATOM 64 CA LEU A 5 7.630 6.593 1.136 1.00 0.40 C ATOM 65 C LEU A 5 7.078 7.364 2.297 1.00 0.35 C ATOM 66 O LEU A 5 7.295 6.996 3.460 1.00 0.41 O ATOM 67 CB LEU A 5 6.668 5.461 0.795 1.00 0.41 C ATOM 68 CG LEU A 5 6.960 4.667 -0.466 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.953 3.545 -0.611 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.906 5.572 -1.676 1.00 0.81 C ATOM 0 H LEU A 5 8.913 5.118 1.817 1.00 0.44 H new ATOM 0 HA LEU A 5 7.737 7.242 0.266 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.649 4.767 1.636 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.667 5.882 0.706 1.00 0.41 H new ATOM 0 HG LEU A 5 7.960 4.241 -0.393 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.167 2.979 -1.517 1.00 0.72 H new ATOM 0 HD12 LEU A 5 6.017 2.884 0.253 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.948 3.963 -0.674 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.117 4.992 -2.574 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.913 6.015 -1.755 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.649 6.363 -1.572 1.00 0.81 H new ATOM 82 N THR A 6 6.401 8.420 2.002 1.00 0.37 N ATOM 83 CA THR A 6 5.780 9.208 3.011 1.00 0.42 C ATOM 84 C THR A 6 4.295 8.864 3.085 1.00 0.35 C ATOM 85 O THR A 6 3.800 8.044 2.280 1.00 0.34 O ATOM 86 CB THR A 6 5.946 10.716 2.723 1.00 0.59 C ATOM 87 OG1 THR A 6 5.411 11.028 1.421 1.00 0.65 O ATOM 88 CG2 THR A 6 7.404 11.129 2.775 1.00 0.72 C ATOM 0 H THR A 6 6.262 8.763 1.051 1.00 0.37 H new ATOM 0 HA THR A 6 6.262 8.986 3.963 1.00 0.42 H new ATOM 0 HB THR A 6 5.402 11.265 3.491 1.00 0.59 H new ATOM 0 HG1 THR A 6 6.008 10.675 0.729 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.488 12.196 2.568 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.807 10.919 3.766 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.968 10.569 2.028 1.00 0.72 H new ATOM 96 N THR A 7 3.592 9.477 4.025 1.00 0.40 N ATOM 97 CA THR A 7 2.160 9.330 4.139 1.00 0.43 C ATOM 98 C THR A 7 1.505 9.770 2.815 1.00 0.41 C ATOM 99 O THR A 7 0.603 9.119 2.313 1.00 0.43 O ATOM 100 CB THR A 7 1.631 10.178 5.313 1.00 0.58 C ATOM 101 OG1 THR A 7 2.389 9.862 6.503 1.00 0.69 O ATOM 102 CG2 THR A 7 0.157 9.883 5.575 1.00 0.66 C ATOM 0 H THR A 7 4.004 10.090 4.728 1.00 0.40 H new ATOM 0 HA THR A 7 1.911 8.287 4.335 1.00 0.43 H new ATOM 0 HB THR A 7 1.739 11.232 5.057 1.00 0.58 H new ATOM 0 HG1 THR A 7 2.059 10.399 7.253 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.194 10.493 6.407 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.425 10.117 4.683 1.00 0.66 H new ATOM 0 HG23 THR A 7 0.035 8.828 5.822 1.00 0.66 H new ATOM 110 N ASP A 8 2.015 10.870 2.266 1.00 0.44 N ATOM 111 CA ASP A 8 1.546 11.446 0.998 1.00 0.51 C ATOM 112 C ASP A 8 1.664 10.438 -0.150 1.00 0.47 C ATOM 113 O ASP A 8 0.721 10.243 -0.927 1.00 0.52 O ATOM 114 CB ASP A 8 2.368 12.695 0.670 1.00 0.63 C ATOM 115 CG ASP A 8 1.861 13.451 -0.529 1.00 1.46 C ATOM 116 OD1 ASP A 8 2.225 13.073 -1.676 1.00 2.38 O ATOM 117 OD2 ASP A 8 1.108 14.416 -0.368 1.00 1.63 O ATOM 0 H ASP A 8 2.777 11.398 2.692 1.00 0.44 H new ATOM 0 HA ASP A 8 0.494 11.710 1.111 1.00 0.51 H new ATOM 0 HB2 ASP A 8 2.367 13.358 1.535 1.00 0.63 H new ATOM 0 HB3 ASP A 8 3.403 12.403 0.494 1.00 0.63 H new ATOM 122 N ASP A 9 2.810 9.769 -0.218 1.00 0.45 N ATOM 123 CA ASP A 9 3.084 8.783 -1.277 1.00 0.49 C ATOM 124 C ASP A 9 2.173 7.592 -1.130 1.00 0.47 C ATOM 125 O ASP A 9 1.669 7.043 -2.105 1.00 0.56 O ATOM 126 CB ASP A 9 4.532 8.278 -1.241 1.00 0.60 C ATOM 127 CG ASP A 9 5.568 9.349 -1.416 1.00 1.11 C ATOM 128 OD1 ASP A 9 5.624 9.976 -2.489 1.00 1.08 O ATOM 129 OD2 ASP A 9 6.375 9.557 -0.480 1.00 2.00 O ATOM 0 H ASP A 9 3.573 9.887 0.448 1.00 0.45 H new ATOM 0 HA ASP A 9 2.911 9.291 -2.226 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.705 7.775 -0.290 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.663 7.532 -2.025 1.00 0.60 H new ATOM 134 N LEU A 10 1.973 7.183 0.095 1.00 0.42 N ATOM 135 CA LEU A 10 1.104 6.074 0.393 1.00 0.44 C ATOM 136 C LEU A 10 -0.352 6.449 0.082 1.00 0.42 C ATOM 137 O LEU A 10 -1.114 5.639 -0.443 1.00 0.50 O ATOM 138 CB LEU A 10 1.255 5.688 1.858 1.00 0.45 C ATOM 139 CG LEU A 10 0.495 4.448 2.315 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.051 3.192 1.652 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.532 4.331 3.823 1.00 0.80 C ATOM 0 H LEU A 10 2.407 7.608 0.914 1.00 0.42 H new ATOM 0 HA LEU A 10 1.380 5.221 -0.227 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.314 5.534 2.063 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.931 6.531 2.468 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.546 4.551 2.008 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.492 2.322 1.995 1.00 0.66 H new ATOM 0 HD12 LEU A 10 0.958 3.280 0.570 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.102 3.075 1.917 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.015 3.441 4.132 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.567 4.255 4.157 1.00 0.80 H new ATOM 0 HD23 LEU A 10 0.071 5.213 4.268 1.00 0.80 H new ATOM 153 N ARG A 11 -0.708 7.691 0.402 1.00 0.40 N ATOM 154 CA ARG A 11 -2.050 8.228 0.205 1.00 0.41 C ATOM 155 C ARG A 11 -2.485 8.054 -1.240 1.00 0.40 C ATOM 156 O ARG A 11 -3.522 7.452 -1.510 1.00 0.42 O ATOM 157 CB ARG A 11 -2.101 9.709 0.565 1.00 0.48 C ATOM 158 CG ARG A 11 -3.499 10.224 0.874 1.00 0.58 C ATOM 159 CD ARG A 11 -3.576 11.739 0.780 1.00 0.72 C ATOM 160 NE ARG A 11 -2.545 12.427 1.547 1.00 1.24 N ATOM 161 CZ ARG A 11 -1.567 13.169 0.999 1.00 1.74 C ATOM 162 NH1 ARG A 11 -1.422 13.220 -0.326 1.00 2.01 N ATOM 163 NH2 ARG A 11 -0.731 13.857 1.768 1.00 2.57 N ATOM 0 H ARG A 11 -0.060 8.363 0.813 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.726 7.677 0.859 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.461 9.884 1.430 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.686 10.287 -0.261 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.212 9.780 0.179 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -3.790 9.907 1.875 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -3.495 12.034 -0.266 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -4.555 12.067 1.129 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.567 12.340 2.563 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -2.055 12.694 -0.929 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -0.678 13.785 -0.736 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -0.828 13.825 2.783 1.00 2.57 H new ATOM 0 HH22 ARG A 11 0.008 14.417 1.344 1.00 2.57 H new ATOM 177 N ARG A 12 -1.664 8.568 -2.167 1.00 0.43 N ATOM 178 CA ARG A 12 -1.958 8.486 -3.603 1.00 0.49 C ATOM 179 C ARG A 12 -2.119 7.048 -4.077 1.00 0.49 C ATOM 180 O ARG A 12 -2.931 6.777 -4.953 1.00 0.59 O ATOM 181 CB ARG A 12 -0.922 9.227 -4.470 1.00 0.64 C ATOM 182 CG ARG A 12 0.517 8.774 -4.292 1.00 0.85 C ATOM 183 CD ARG A 12 1.460 9.405 -5.311 1.00 1.00 C ATOM 184 NE ARG A 12 1.435 10.876 -5.296 1.00 1.77 N ATOM 185 CZ ARG A 12 2.485 11.668 -5.566 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.713 11.154 -5.694 1.00 2.51 N ATOM 187 NH2 ARG A 12 2.316 12.981 -5.655 1.00 3.48 N ATOM 0 H ARG A 12 -0.790 9.045 -1.946 1.00 0.43 H new ATOM 0 HA ARG A 12 -2.914 8.994 -3.733 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.197 9.106 -5.518 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.981 10.292 -4.246 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.852 9.028 -3.286 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.566 7.689 -4.380 1.00 0.85 H new ATOM 0 HD2 ARG A 12 2.476 9.064 -5.115 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.193 9.054 -6.308 1.00 1.00 H new ATOM 0 HE ARG A 12 0.552 11.329 -5.062 1.00 1.77 H new ATOM 0 HH11 ARG A 12 3.860 10.150 -5.586 1.00 2.51 H new ATOM 0 HH12 ARG A 12 4.503 11.766 -5.899 1.00 2.51 H new ATOM 0 HH21 ARG A 12 1.390 13.386 -5.518 1.00 3.48 H new ATOM 0 HH22 ARG A 12 3.112 13.585 -5.860 1.00 3.48 H new ATOM 201 N ALA A 13 -1.367 6.136 -3.483 1.00 0.50 N ATOM 202 CA ALA A 13 -1.439 4.730 -3.841 1.00 0.59 C ATOM 203 C ALA A 13 -2.790 4.148 -3.445 1.00 0.55 C ATOM 204 O ALA A 13 -3.458 3.510 -4.248 1.00 0.65 O ATOM 205 CB ALA A 13 -0.308 3.962 -3.189 1.00 0.70 C ATOM 0 H ALA A 13 -0.695 6.347 -2.745 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.335 4.639 -4.922 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.375 2.910 -3.466 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.647 4.366 -3.525 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.381 4.057 -2.106 1.00 0.70 H new ATOM 211 N LEU A 14 -3.199 4.402 -2.218 1.00 0.47 N ATOM 212 CA LEU A 14 -4.491 3.931 -1.731 1.00 0.48 C ATOM 213 C LEU A 14 -5.650 4.634 -2.449 1.00 0.53 C ATOM 214 O LEU A 14 -6.714 4.061 -2.641 1.00 0.70 O ATOM 215 CB LEU A 14 -4.615 4.058 -0.197 1.00 0.48 C ATOM 216 CG LEU A 14 -3.956 2.953 0.671 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.569 1.598 0.388 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.451 2.893 0.492 1.00 0.92 C ATOM 0 H LEU A 14 -2.658 4.932 -1.535 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.552 2.869 -1.967 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.186 5.016 0.097 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.675 4.093 0.053 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.151 3.220 1.709 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -4.088 0.844 1.010 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.635 1.627 0.612 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.426 1.346 -0.663 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -2.041 2.103 1.122 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.217 2.683 -0.552 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.012 3.849 0.777 1.00 0.92 H new ATOM 230 N VAL A 15 -5.463 5.889 -2.774 1.00 0.49 N ATOM 231 CA VAL A 15 -6.423 6.617 -3.590 1.00 0.60 C ATOM 232 C VAL A 15 -6.529 6.021 -5.025 1.00 0.66 C ATOM 233 O VAL A 15 -7.593 6.021 -5.628 1.00 0.87 O ATOM 234 CB VAL A 15 -6.134 8.158 -3.603 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.021 8.899 -4.590 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.346 8.736 -2.211 1.00 0.84 C ATOM 0 H VAL A 15 -4.652 6.437 -2.487 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.401 6.491 -3.125 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.098 8.290 -3.915 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -6.785 9.963 -4.564 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -6.848 8.514 -5.595 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.067 8.753 -4.320 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.144 9.807 -2.227 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.377 8.566 -1.900 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.670 8.249 -1.508 1.00 0.84 H new ATOM 246 N GLU A 16 -5.430 5.447 -5.519 1.00 0.64 N ATOM 247 CA GLU A 16 -5.359 4.925 -6.887 1.00 0.77 C ATOM 248 C GLU A 16 -6.264 3.696 -7.095 1.00 0.70 C ATOM 249 O GLU A 16 -7.189 3.733 -7.915 1.00 0.81 O ATOM 250 CB GLU A 16 -3.888 4.583 -7.230 1.00 0.95 C ATOM 251 CG GLU A 16 -3.655 3.904 -8.577 1.00 1.63 C ATOM 252 CD GLU A 16 -4.040 4.745 -9.763 1.00 1.66 C ATOM 253 OE1 GLU A 16 -5.240 4.848 -10.072 1.00 2.10 O ATOM 254 OE2 GLU A 16 -3.171 5.360 -10.375 1.00 1.92 O ATOM 0 H GLU A 16 -4.568 5.331 -4.986 1.00 0.64 H new ATOM 0 HA GLU A 16 -5.726 5.699 -7.561 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.306 5.504 -7.205 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.494 3.936 -6.446 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.601 3.638 -8.660 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -4.222 2.973 -8.606 1.00 1.63 H new ATOM 261 N SER A 17 -6.091 2.688 -6.288 1.00 0.58 N ATOM 262 CA SER A 17 -6.815 1.443 -6.464 1.00 0.61 C ATOM 263 C SER A 17 -8.246 1.488 -5.889 1.00 0.69 C ATOM 264 O SER A 17 -9.022 0.536 -6.017 1.00 0.82 O ATOM 265 CB SER A 17 -5.956 0.303 -5.931 1.00 0.57 C ATOM 266 OG SER A 17 -5.279 0.720 -4.758 1.00 1.00 O ATOM 0 H SER A 17 -5.452 2.696 -5.493 1.00 0.58 H new ATOM 0 HA SER A 17 -6.985 1.268 -7.526 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.580 -0.564 -5.713 1.00 0.57 H new ATOM 0 HB3 SER A 17 -5.235 -0.006 -6.688 1.00 0.57 H new ATOM 0 HG SER A 17 -5.874 0.625 -3.985 1.00 1.00 H new ATOM 272 N ALA A 18 -8.593 2.611 -5.282 1.00 0.78 N ATOM 273 CA ALA A 18 -9.930 2.836 -4.770 1.00 0.97 C ATOM 274 C ALA A 18 -10.593 3.930 -5.587 1.00 1.13 C ATOM 275 O ALA A 18 -11.770 4.245 -5.398 1.00 1.49 O ATOM 276 CB ALA A 18 -9.889 3.227 -3.299 1.00 1.11 C ATOM 0 H ALA A 18 -7.954 3.391 -5.131 1.00 0.78 H new ATOM 0 HA ALA A 18 -10.505 1.914 -4.854 1.00 0.97 H new ATOM 0 HB1 ALA A 18 -10.904 3.391 -2.938 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -9.423 2.428 -2.723 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -9.310 4.143 -3.182 1.00 1.11 H new ATOM 282 N GLY A 19 -9.841 4.441 -6.569 1.00 1.13 N ATOM 283 CA GLY A 19 -10.268 5.565 -7.400 1.00 1.48 C ATOM 284 C GLY A 19 -11.366 5.212 -8.369 1.00 1.60 C ATOM 285 O GLY A 19 -11.827 6.051 -9.136 1.00 2.02 O ATOM 0 H GLY A 19 -8.916 4.083 -6.808 1.00 1.13 H new ATOM 0 HA2 GLY A 19 -10.610 6.374 -6.755 1.00 1.48 H new ATOM 0 HA3 GLY A 19 -9.410 5.942 -7.957 1.00 1.48 H new ATOM 289 N GLU A 20 -11.792 3.976 -8.324 1.00 2.22 N ATOM 290 CA GLU A 20 -12.889 3.502 -9.139 1.00 3.33 C ATOM 291 C GLU A 20 -14.206 3.805 -8.427 1.00 3.66 C ATOM 292 O GLU A 20 -15.304 3.521 -8.937 1.00 4.35 O ATOM 293 CB GLU A 20 -12.750 2.004 -9.378 1.00 4.13 C ATOM 294 CG GLU A 20 -11.458 1.591 -10.062 1.00 5.10 C ATOM 295 CD GLU A 20 -11.197 2.349 -11.335 1.00 5.65 C ATOM 296 OE1 GLU A 20 -11.881 2.076 -12.343 1.00 5.97 O ATOM 297 OE2 GLU A 20 -10.333 3.248 -11.357 1.00 6.03 O ATOM 0 H GLU A 20 -11.387 3.263 -7.718 1.00 2.22 H new ATOM 0 HA GLU A 20 -12.875 4.008 -10.104 1.00 3.33 H new ATOM 0 HB2 GLU A 20 -12.820 1.488 -8.420 1.00 4.13 H new ATOM 0 HB3 GLU A 20 -13.591 1.666 -9.984 1.00 4.13 H new ATOM 0 HG2 GLU A 20 -10.625 1.746 -9.376 1.00 5.10 H new ATOM 0 HG3 GLU A 20 -11.495 0.524 -10.282 1.00 5.10 H new ATOM 304 N THR A 21 -14.058 4.400 -7.254 1.00 3.56 N ATOM 305 CA THR A 21 -15.134 4.773 -6.377 1.00 4.12 C ATOM 306 C THR A 21 -15.806 3.514 -5.814 1.00 3.91 C ATOM 307 O THR A 21 -17.004 3.250 -6.001 1.00 4.42 O ATOM 308 CB THR A 21 -16.118 5.745 -7.086 1.00 4.95 C ATOM 309 OG1 THR A 21 -15.327 6.787 -7.710 1.00 5.36 O ATOM 310 CG2 THR A 21 -17.068 6.403 -6.086 1.00 5.71 C ATOM 0 H THR A 21 -13.141 4.643 -6.880 1.00 3.56 H new ATOM 0 HA THR A 21 -14.741 5.327 -5.525 1.00 4.12 H new ATOM 0 HB THR A 21 -16.711 5.187 -7.810 1.00 4.95 H new ATOM 0 HG1 THR A 21 -15.920 7.418 -8.169 1.00 5.36 H new ATOM 0 HG21 THR A 21 -17.743 7.077 -6.614 1.00 5.71 H new ATOM 0 HG22 THR A 21 -17.649 5.634 -5.576 1.00 5.71 H new ATOM 0 HG23 THR A 21 -16.491 6.968 -5.354 1.00 5.71 H new ATOM 318 N ASP A 22 -14.979 2.710 -5.171 1.00 3.55 N ATOM 319 CA ASP A 22 -15.421 1.484 -4.533 1.00 3.80 C ATOM 320 C ASP A 22 -15.683 1.743 -3.079 1.00 3.75 C ATOM 321 O ASP A 22 -14.864 2.390 -2.414 1.00 4.22 O ATOM 322 CB ASP A 22 -14.379 0.353 -4.647 1.00 4.39 C ATOM 323 CG ASP A 22 -14.200 -0.199 -6.042 1.00 4.93 C ATOM 324 OD1 ASP A 22 -15.091 -0.938 -6.526 1.00 5.42 O ATOM 325 OD2 ASP A 22 -13.189 0.143 -6.703 1.00 5.23 O ATOM 0 H ASP A 22 -13.979 2.890 -5.076 1.00 3.55 H new ATOM 0 HA ASP A 22 -16.328 1.164 -5.046 1.00 3.80 H new ATOM 0 HB2 ASP A 22 -13.418 0.725 -4.292 1.00 4.39 H new ATOM 0 HB3 ASP A 22 -14.671 -0.461 -3.983 1.00 4.39 H new ATOM 330 N GLY A 23 -16.844 1.296 -2.619 1.00 3.52 N ATOM 331 CA GLY A 23 -17.261 1.342 -1.217 1.00 3.84 C ATOM 332 C GLY A 23 -17.126 2.691 -0.559 1.00 3.68 C ATOM 333 O GLY A 23 -17.964 3.575 -0.724 1.00 3.96 O ATOM 0 H GLY A 23 -17.547 0.877 -3.228 1.00 3.52 H new ATOM 0 HA2 GLY A 23 -18.302 1.025 -1.152 1.00 3.84 H new ATOM 0 HA3 GLY A 23 -16.672 0.619 -0.654 1.00 3.84 H new ATOM 337 N THR A 24 -16.067 2.835 0.158 1.00 3.64 N ATOM 338 CA THR A 24 -15.750 4.028 0.886 1.00 3.82 C ATOM 339 C THR A 24 -14.380 4.541 0.421 1.00 3.09 C ATOM 340 O THR A 24 -13.328 3.930 0.673 1.00 3.70 O ATOM 341 CB THR A 24 -15.795 3.768 2.437 1.00 5.01 C ATOM 342 OG1 THR A 24 -15.334 4.917 3.165 1.00 5.50 O ATOM 343 CG2 THR A 24 -14.997 2.529 2.850 1.00 5.84 C ATOM 0 H THR A 24 -15.367 2.101 0.262 1.00 3.64 H new ATOM 0 HA THR A 24 -16.495 4.797 0.683 1.00 3.82 H new ATOM 0 HB THR A 24 -16.839 3.581 2.688 1.00 5.01 H new ATOM 0 HG1 THR A 24 -15.373 4.732 4.127 1.00 5.50 H new ATOM 0 HG21 THR A 24 -15.063 2.397 3.930 1.00 5.84 H new ATOM 0 HG22 THR A 24 -15.406 1.650 2.352 1.00 5.84 H new ATOM 0 HG23 THR A 24 -13.953 2.656 2.563 1.00 5.84 H new ATOM 351 N ASP A 25 -14.409 5.600 -0.361 1.00 2.19 N ATOM 352 CA ASP A 25 -13.195 6.177 -0.899 1.00 1.95 C ATOM 353 C ASP A 25 -12.452 6.927 0.204 1.00 1.67 C ATOM 354 O ASP A 25 -12.838 8.042 0.612 1.00 2.10 O ATOM 355 CB ASP A 25 -13.497 7.079 -2.103 1.00 2.07 C ATOM 356 CG ASP A 25 -12.253 7.662 -2.758 1.00 2.73 C ATOM 357 OD1 ASP A 25 -11.720 8.674 -2.272 1.00 3.29 O ATOM 358 OD2 ASP A 25 -11.755 7.072 -3.723 1.00 3.15 O ATOM 0 H ASP A 25 -15.265 6.081 -0.639 1.00 2.19 H new ATOM 0 HA ASP A 25 -12.550 5.377 -1.263 1.00 1.95 H new ATOM 0 HB2 ASP A 25 -14.053 6.506 -2.845 1.00 2.07 H new ATOM 0 HB3 ASP A 25 -14.144 7.895 -1.781 1.00 2.07 H new ATOM 363 N LEU A 26 -11.440 6.258 0.718 1.00 1.31 N ATOM 364 CA LEU A 26 -10.586 6.707 1.812 1.00 1.13 C ATOM 365 C LEU A 26 -10.095 8.161 1.660 1.00 1.22 C ATOM 366 O LEU A 26 -10.072 8.915 2.633 1.00 1.82 O ATOM 367 CB LEU A 26 -9.443 5.681 1.999 1.00 1.09 C ATOM 368 CG LEU A 26 -8.618 5.296 0.744 1.00 0.75 C ATOM 369 CD1 LEU A 26 -7.487 6.276 0.467 1.00 1.61 C ATOM 370 CD2 LEU A 26 -8.100 3.875 0.850 1.00 1.49 C ATOM 0 H LEU A 26 -11.173 5.337 0.369 1.00 1.31 H new ATOM 0 HA LEU A 26 -11.179 6.742 2.726 1.00 1.13 H new ATOM 0 HB2 LEU A 26 -8.755 6.076 2.746 1.00 1.09 H new ATOM 0 HB3 LEU A 26 -9.873 4.769 2.412 1.00 1.09 H new ATOM 0 HG LEU A 26 -9.294 5.351 -0.109 1.00 0.75 H new ATOM 0 HD11 LEU A 26 -6.941 5.960 -0.422 1.00 1.61 H new ATOM 0 HD12 LEU A 26 -7.900 7.272 0.304 1.00 1.61 H new ATOM 0 HD13 LEU A 26 -6.809 6.299 1.320 1.00 1.61 H new ATOM 0 HD21 LEU A 26 -7.525 3.630 -0.043 1.00 1.49 H new ATOM 0 HD22 LEU A 26 -7.462 3.785 1.729 1.00 1.49 H new ATOM 0 HD23 LEU A 26 -8.941 3.187 0.940 1.00 1.49 H new ATOM 382 N SER A 27 -9.696 8.519 0.437 1.00 1.09 N ATOM 383 CA SER A 27 -9.311 9.897 0.025 1.00 1.16 C ATOM 384 C SER A 27 -8.413 10.668 1.023 1.00 1.19 C ATOM 385 O SER A 27 -8.449 11.892 1.078 1.00 1.88 O ATOM 386 CB SER A 27 -10.565 10.710 -0.359 1.00 1.49 C ATOM 387 OG SER A 27 -11.612 10.575 0.596 1.00 1.72 O ATOM 0 H SER A 27 -9.625 7.847 -0.327 1.00 1.09 H new ATOM 0 HA SER A 27 -8.673 9.768 -0.849 1.00 1.16 H new ATOM 0 HB2 SER A 27 -10.297 11.762 -0.455 1.00 1.49 H new ATOM 0 HB3 SER A 27 -10.923 10.382 -1.335 1.00 1.49 H new ATOM 0 HG SER A 27 -12.011 9.683 0.520 1.00 1.72 H new ATOM 393 N GLY A 28 -7.570 9.970 1.747 1.00 0.90 N ATOM 394 CA GLY A 28 -6.726 10.653 2.698 1.00 1.11 C ATOM 395 C GLY A 28 -6.735 10.005 4.053 1.00 0.86 C ATOM 396 O GLY A 28 -5.706 9.937 4.712 1.00 1.32 O ATOM 0 H GLY A 28 -7.451 8.958 1.700 1.00 0.90 H new ATOM 0 HA2 GLY A 28 -5.704 10.678 2.319 1.00 1.11 H new ATOM 0 HA3 GLY A 28 -7.056 11.688 2.793 1.00 1.11 H new ATOM 400 N ASP A 29 -7.876 9.521 4.478 1.00 0.68 N ATOM 401 CA ASP A 29 -7.948 8.849 5.762 1.00 0.75 C ATOM 402 C ASP A 29 -8.088 7.375 5.527 1.00 0.61 C ATOM 403 O ASP A 29 -9.119 6.905 5.065 1.00 0.71 O ATOM 404 CB ASP A 29 -9.075 9.373 6.636 1.00 1.18 C ATOM 405 CG ASP A 29 -9.022 8.762 8.019 1.00 1.63 C ATOM 406 OD1 ASP A 29 -7.998 8.896 8.713 1.00 2.14 O ATOM 407 OD2 ASP A 29 -10.010 8.070 8.408 1.00 2.17 O ATOM 0 H ASP A 29 -8.757 9.575 3.967 1.00 0.68 H new ATOM 0 HA ASP A 29 -7.028 9.054 6.309 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -9.006 10.458 6.712 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -10.035 9.146 6.172 1.00 1.18 H new ATOM 412 N PHE A 30 -7.030 6.664 5.800 1.00 0.48 N ATOM 413 CA PHE A 30 -6.934 5.256 5.465 1.00 0.41 C ATOM 414 C PHE A 30 -5.825 4.561 6.291 1.00 0.34 C ATOM 415 O PHE A 30 -5.857 3.362 6.492 1.00 0.34 O ATOM 416 CB PHE A 30 -6.580 5.150 3.955 1.00 0.47 C ATOM 417 CG PHE A 30 -5.204 5.700 3.619 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.996 7.058 3.470 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.123 4.859 3.505 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.741 7.555 3.208 1.00 0.71 C ATOM 421 CE2 PHE A 30 -2.869 5.351 3.249 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.677 6.698 3.101 1.00 0.60 C ATOM 0 H PHE A 30 -6.202 7.039 6.263 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.882 4.766 5.688 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.630 4.105 3.650 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.330 5.688 3.375 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.830 7.738 3.561 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.263 3.794 3.619 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.594 8.618 3.087 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.031 4.674 3.164 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.689 7.085 2.900 1.00 0.60 H new ATOM 432 N LEU A 31 -4.879 5.361 6.773 1.00 0.36 N ATOM 433 CA LEU A 31 -3.611 4.911 7.352 1.00 0.36 C ATOM 434 C LEU A 31 -3.722 3.800 8.422 1.00 0.35 C ATOM 435 O LEU A 31 -3.038 2.773 8.314 1.00 0.37 O ATOM 436 CB LEU A 31 -2.809 6.127 7.828 1.00 0.44 C ATOM 437 CG LEU A 31 -1.401 5.883 8.367 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.512 5.263 7.300 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.807 7.193 8.847 1.00 0.64 C ATOM 0 H LEU A 31 -4.974 6.377 6.773 1.00 0.36 H new ATOM 0 HA LEU A 31 -3.066 4.408 6.553 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.733 6.825 6.995 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -3.385 6.624 8.608 1.00 0.44 H new ATOM 0 HG LEU A 31 -1.463 5.186 9.202 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.485 5.099 7.708 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.935 4.310 6.982 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.448 5.935 6.444 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.198 7.018 9.231 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.760 7.897 8.016 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -1.431 7.607 9.639 1.00 0.64 H new ATOM 451 N ASP A 32 -4.564 3.983 9.428 1.00 0.38 N ATOM 452 CA ASP A 32 -4.705 2.952 10.483 1.00 0.45 C ATOM 453 C ASP A 32 -5.943 2.094 10.252 1.00 0.41 C ATOM 454 O ASP A 32 -6.297 1.237 11.077 1.00 0.47 O ATOM 455 CB ASP A 32 -4.754 3.558 11.909 1.00 0.64 C ATOM 456 CG ASP A 32 -6.090 4.198 12.287 1.00 1.55 C ATOM 457 OD1 ASP A 32 -6.306 5.400 11.983 1.00 2.06 O ATOM 458 OD2 ASP A 32 -6.954 3.508 12.860 1.00 2.29 O ATOM 0 H ASP A 32 -5.152 4.808 9.549 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.813 2.329 10.416 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -4.526 2.773 12.630 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -3.969 4.309 11.997 1.00 0.64 H new ATOM 463 N LEU A 33 -6.562 2.268 9.122 1.00 0.41 N ATOM 464 CA LEU A 33 -7.772 1.552 8.808 1.00 0.45 C ATOM 465 C LEU A 33 -7.415 0.185 8.241 1.00 0.44 C ATOM 466 O LEU A 33 -6.429 0.047 7.528 1.00 0.56 O ATOM 467 CB LEU A 33 -8.673 2.355 7.831 1.00 0.51 C ATOM 468 CG LEU A 33 -9.378 3.639 8.375 1.00 0.85 C ATOM 469 CD1 LEU A 33 -8.398 4.719 8.824 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.326 4.203 7.333 1.00 1.61 C ATOM 0 H LEU A 33 -6.247 2.907 8.392 1.00 0.41 H new ATOM 0 HA LEU A 33 -8.349 1.416 9.723 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.063 2.645 6.976 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.445 1.682 7.458 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.937 3.331 9.259 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -8.952 5.583 9.191 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -7.766 4.328 9.621 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -7.775 5.018 7.981 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.809 5.097 7.727 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -9.767 4.459 6.433 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -11.084 3.458 7.089 1.00 1.61 H new ATOM 482 N ARG A 34 -8.194 -0.818 8.576 1.00 0.45 N ATOM 483 CA ARG A 34 -7.908 -2.174 8.144 1.00 0.50 C ATOM 484 C ARG A 34 -8.317 -2.251 6.682 1.00 0.45 C ATOM 485 O ARG A 34 -9.394 -1.775 6.335 1.00 0.54 O ATOM 486 CB ARG A 34 -8.713 -3.176 9.019 1.00 0.71 C ATOM 487 CG ARG A 34 -8.036 -4.537 9.272 1.00 1.08 C ATOM 488 CD ARG A 34 -7.916 -5.410 8.032 1.00 1.18 C ATOM 489 NE ARG A 34 -7.056 -6.586 8.267 1.00 1.90 N ATOM 490 CZ ARG A 34 -7.024 -7.681 7.494 1.00 2.49 C ATOM 491 NH1 ARG A 34 -8.121 -8.056 6.846 1.00 2.61 N ATOM 492 NH2 ARG A 34 -5.963 -8.494 7.518 1.00 3.35 N ATOM 0 H ARG A 34 -9.033 -0.724 9.148 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.854 -2.430 8.253 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -8.916 -2.707 9.982 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -9.677 -3.354 8.542 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -7.040 -4.365 9.680 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -8.603 -5.077 10.030 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -8.908 -5.741 7.724 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -7.508 -4.820 7.211 1.00 1.18 H new ATOM 0 HE ARG A 34 -6.439 -6.564 9.079 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -8.979 -7.512 6.939 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -8.105 -8.888 6.256 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -5.172 -8.283 8.127 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -5.944 -9.326 6.928 1.00 3.35 H new ATOM 506 N PHE A 35 -7.460 -2.819 5.839 1.00 0.40 N ATOM 507 CA PHE A 35 -7.677 -2.849 4.378 1.00 0.40 C ATOM 508 C PHE A 35 -9.087 -3.226 3.939 1.00 0.46 C ATOM 509 O PHE A 35 -9.698 -2.508 3.171 1.00 0.49 O ATOM 510 CB PHE A 35 -6.656 -3.717 3.663 1.00 0.39 C ATOM 511 CG PHE A 35 -5.297 -3.121 3.599 1.00 0.35 C ATOM 512 CD1 PHE A 35 -5.062 -1.988 2.865 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.253 -3.690 4.308 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.809 -1.428 2.829 1.00 0.49 C ATOM 515 CE2 PHE A 35 -2.998 -3.135 4.280 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.768 -2.026 3.422 1.00 0.48 C ATOM 0 H PHE A 35 -6.596 -3.272 6.138 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.539 -1.810 4.079 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.596 -4.681 4.169 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.005 -3.910 2.649 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.869 -1.532 2.310 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.428 -4.582 4.891 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.661 -0.490 2.314 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.204 -3.532 4.895 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.763 -1.669 3.250 1.00 0.48 H new ATOM 526 N GLU A 36 -9.596 -4.322 4.418 1.00 0.58 N ATOM 527 CA GLU A 36 -10.959 -4.776 4.068 1.00 0.74 C ATOM 528 C GLU A 36 -12.024 -3.700 4.349 1.00 0.75 C ATOM 529 O GLU A 36 -13.026 -3.602 3.648 1.00 0.84 O ATOM 530 CB GLU A 36 -11.290 -6.038 4.834 1.00 0.92 C ATOM 531 CG GLU A 36 -11.374 -5.820 6.322 1.00 1.14 C ATOM 532 CD GLU A 36 -11.541 -7.080 7.059 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.605 -7.674 6.952 1.00 1.93 O ATOM 534 OE2 GLU A 36 -10.632 -7.493 7.777 1.00 2.26 O ATOM 0 H GLU A 36 -9.102 -4.941 5.061 1.00 0.58 H new ATOM 0 HA GLU A 36 -10.972 -4.975 2.996 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -12.240 -6.434 4.476 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -10.531 -6.792 4.625 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -10.470 -5.317 6.665 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -12.211 -5.158 6.544 1.00 1.14 H new ATOM 541 N ASP A 37 -11.750 -2.852 5.320 1.00 0.70 N ATOM 542 CA ASP A 37 -12.686 -1.845 5.756 1.00 0.77 C ATOM 543 C ASP A 37 -12.565 -0.596 4.883 1.00 0.71 C ATOM 544 O ASP A 37 -13.416 0.290 4.914 1.00 0.80 O ATOM 545 CB ASP A 37 -12.462 -1.548 7.242 1.00 0.85 C ATOM 546 CG ASP A 37 -13.444 -0.569 7.828 1.00 1.48 C ATOM 547 OD1 ASP A 37 -14.679 -0.730 7.626 1.00 1.64 O ATOM 548 OD2 ASP A 37 -13.008 0.372 8.517 1.00 2.27 O ATOM 0 H ASP A 37 -10.866 -2.845 5.829 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.707 -2.210 5.643 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -12.519 -2.482 7.801 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -11.453 -1.158 7.375 1.00 0.85 H new ATOM 553 N ILE A 38 -11.512 -0.540 4.090 1.00 0.62 N ATOM 554 CA ILE A 38 -11.365 0.511 3.096 1.00 0.65 C ATOM 555 C ILE A 38 -11.638 -0.052 1.702 1.00 0.69 C ATOM 556 O ILE A 38 -11.336 0.575 0.689 1.00 0.75 O ATOM 557 CB ILE A 38 -9.986 1.264 3.135 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.799 0.290 2.994 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.870 2.091 4.399 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.429 0.940 2.988 1.00 0.56 C ATOM 0 H ILE A 38 -10.743 -1.210 4.113 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.106 1.270 3.349 1.00 0.65 H new ATOM 0 HB ILE A 38 -9.949 1.938 2.279 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.839 -0.428 3.813 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -8.920 -0.274 2.069 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.909 2.606 4.410 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.675 2.825 4.429 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.942 1.438 5.269 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.662 0.172 2.885 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.360 1.636 2.152 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.278 1.480 3.923 1.00 0.56 H new ATOM 572 N GLY A 39 -12.286 -1.221 1.674 1.00 0.72 N ATOM 573 CA GLY A 39 -12.662 -1.868 0.423 1.00 0.81 C ATOM 574 C GLY A 39 -11.531 -2.656 -0.206 1.00 0.67 C ATOM 575 O GLY A 39 -11.597 -3.029 -1.375 1.00 0.72 O ATOM 0 H GLY A 39 -12.560 -1.737 2.510 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -13.504 -2.536 0.606 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.004 -1.110 -0.282 1.00 0.81 H new ATOM 579 N TYR A 40 -10.492 -2.894 0.553 1.00 0.57 N ATOM 580 CA TYR A 40 -9.344 -3.609 0.069 1.00 0.54 C ATOM 581 C TYR A 40 -9.348 -5.047 0.539 1.00 0.64 C ATOM 582 O TYR A 40 -8.993 -5.348 1.665 1.00 0.79 O ATOM 583 CB TYR A 40 -8.067 -2.885 0.493 1.00 0.55 C ATOM 584 CG TYR A 40 -7.750 -1.682 -0.346 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.658 -0.643 -0.502 1.00 0.71 C ATOM 586 CD2 TYR A 40 -6.567 -1.615 -1.029 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.378 0.425 -1.312 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.290 -0.560 -1.846 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.191 0.454 -1.985 1.00 0.89 C ATOM 590 OH TYR A 40 -6.907 1.481 -2.828 1.00 1.12 O ATOM 0 H TYR A 40 -10.420 -2.596 1.526 1.00 0.57 H new ATOM 0 HA TYR A 40 -9.384 -3.634 -1.020 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.163 -2.576 1.534 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -7.231 -3.582 0.443 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.601 -0.678 0.024 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -5.843 -2.409 -0.919 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -9.087 1.233 -1.417 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.355 -0.527 -2.385 1.00 0.82 H new ATOM 0 HH TYR A 40 -7.126 2.331 -2.393 1.00 1.12 H new ATOM 600 N ASP A 41 -9.727 -5.923 -0.336 1.00 0.68 N ATOM 601 CA ASP A 41 -9.816 -7.346 -0.022 1.00 0.90 C ATOM 602 C ASP A 41 -8.474 -7.964 -0.256 1.00 1.04 C ATOM 603 O ASP A 41 -7.877 -8.586 0.638 1.00 1.93 O ATOM 604 CB ASP A 41 -10.807 -8.061 -0.969 1.00 1.00 C ATOM 605 CG ASP A 41 -12.185 -7.457 -1.021 1.00 1.48 C ATOM 606 OD1 ASP A 41 -12.396 -6.497 -1.799 1.00 2.20 O ATOM 607 OD2 ASP A 41 -13.096 -7.958 -0.345 1.00 2.00 O ATOM 0 H ASP A 41 -9.988 -5.690 -1.294 1.00 0.68 H new ATOM 0 HA ASP A 41 -10.149 -7.450 1.011 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -10.389 -8.061 -1.975 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -10.895 -9.103 -0.660 1.00 1.00 H new ATOM 612 N SER A 42 -7.963 -7.677 -1.440 1.00 0.72 N ATOM 613 CA SER A 42 -6.774 -8.288 -1.988 1.00 0.68 C ATOM 614 C SER A 42 -6.609 -7.761 -3.409 1.00 0.54 C ATOM 615 O SER A 42 -5.524 -7.399 -3.842 1.00 0.51 O ATOM 616 CB SER A 42 -6.995 -9.810 -2.011 1.00 0.82 C ATOM 617 OG SER A 42 -8.327 -10.103 -2.600 1.00 0.86 O ATOM 0 H SER A 42 -8.382 -6.988 -2.065 1.00 0.72 H new ATOM 0 HA SER A 42 -5.885 -8.059 -1.400 1.00 0.68 H new ATOM 0 HB2 SER A 42 -6.212 -10.294 -2.595 1.00 0.82 H new ATOM 0 HB3 SER A 42 -6.935 -10.213 -1.000 1.00 0.82 H new ATOM 622 N LEU A 43 -7.736 -7.679 -4.092 1.00 0.52 N ATOM 623 CA LEU A 43 -7.838 -7.144 -5.448 1.00 0.48 C ATOM 624 C LEU A 43 -7.306 -5.714 -5.469 1.00 0.39 C ATOM 625 O LEU A 43 -6.383 -5.395 -6.197 1.00 0.37 O ATOM 626 CB LEU A 43 -9.319 -7.190 -5.846 1.00 0.64 C ATOM 627 CG LEU A 43 -9.744 -6.944 -7.318 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.235 -7.165 -7.449 1.00 1.64 C ATOM 629 CD2 LEU A 43 -9.409 -5.542 -7.806 1.00 1.57 C ATOM 0 H LEU A 43 -8.631 -7.989 -3.714 1.00 0.52 H new ATOM 0 HA LEU A 43 -7.248 -7.728 -6.154 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.699 -8.171 -5.560 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.841 -6.455 -5.233 1.00 0.64 H new ATOM 0 HG LEU A 43 -9.184 -7.647 -7.935 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.539 -6.993 -8.482 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -11.477 -8.189 -7.165 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -11.764 -6.472 -6.795 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -9.730 -5.431 -8.842 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -9.924 -4.808 -7.186 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -8.333 -5.381 -7.741 1.00 1.57 H new ATOM 641 N ALA A 44 -7.896 -4.862 -4.667 1.00 0.41 N ATOM 642 CA ALA A 44 -7.451 -3.492 -4.595 1.00 0.39 C ATOM 643 C ALA A 44 -6.024 -3.403 -4.040 1.00 0.34 C ATOM 644 O ALA A 44 -5.249 -2.572 -4.462 1.00 0.35 O ATOM 645 CB ALA A 44 -8.422 -2.660 -3.787 1.00 0.49 C ATOM 0 H ALA A 44 -8.681 -5.091 -4.058 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.427 -3.084 -5.605 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.070 -1.629 -3.744 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.405 -2.688 -4.258 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.492 -3.062 -2.776 1.00 0.49 H new ATOM 651 N LEU A 45 -5.682 -4.325 -3.143 1.00 0.37 N ATOM 652 CA LEU A 45 -4.359 -4.355 -2.507 1.00 0.42 C ATOM 653 C LEU A 45 -3.238 -4.571 -3.494 1.00 0.39 C ATOM 654 O LEU A 45 -2.220 -3.881 -3.454 1.00 0.43 O ATOM 655 CB LEU A 45 -4.295 -5.424 -1.425 1.00 0.54 C ATOM 656 CG LEU A 45 -4.542 -4.961 -0.008 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.556 -6.143 0.917 1.00 0.75 C ATOM 658 CD2 LEU A 45 -3.421 -4.057 0.402 1.00 0.94 C ATOM 0 H LEU A 45 -6.307 -5.070 -2.835 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.220 -3.371 -2.058 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.026 -6.197 -1.664 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -3.311 -5.892 -1.465 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.499 -4.441 0.043 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -4.734 -5.804 1.938 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.349 -6.829 0.619 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -3.595 -6.655 0.867 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.585 -3.714 1.424 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.477 -4.600 0.349 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -3.383 -3.198 -0.267 1.00 0.94 H new ATOM 670 N MET A 46 -3.426 -5.517 -4.373 1.00 0.36 N ATOM 671 CA MET A 46 -2.426 -5.844 -5.372 1.00 0.41 C ATOM 672 C MET A 46 -2.233 -4.691 -6.346 1.00 0.39 C ATOM 673 O MET A 46 -1.133 -4.461 -6.828 1.00 0.49 O ATOM 674 CB MET A 46 -2.807 -7.144 -6.091 1.00 0.43 C ATOM 675 CG MET A 46 -4.059 -7.086 -6.916 1.00 0.34 C ATOM 676 SD MET A 46 -3.831 -6.446 -8.602 1.00 0.73 S ATOM 677 CE MET A 46 -2.723 -7.680 -9.291 1.00 1.38 C ATOM 0 H MET A 46 -4.271 -6.086 -4.423 1.00 0.36 H new ATOM 0 HA MET A 46 -1.469 -6.004 -4.876 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.980 -7.436 -6.738 1.00 0.43 H new ATOM 0 HB3 MET A 46 -2.921 -7.931 -5.345 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.484 -8.088 -6.977 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.788 -6.461 -6.401 1.00 0.34 H new ATOM 0 HE1 MET A 46 -3.094 -7.999 -10.265 1.00 1.38 H new ATOM 0 HE2 MET A 46 -1.727 -7.252 -9.405 1.00 1.38 H new ATOM 0 HE3 MET A 46 -2.674 -8.539 -8.622 1.00 1.38 H new ATOM 687 N GLU A 47 -3.303 -3.940 -6.576 1.00 0.31 N ATOM 688 CA GLU A 47 -3.285 -2.817 -7.485 1.00 0.37 C ATOM 689 C GLU A 47 -2.403 -1.713 -6.851 1.00 0.34 C ATOM 690 O GLU A 47 -1.542 -1.121 -7.521 1.00 0.38 O ATOM 691 CB GLU A 47 -4.741 -2.351 -7.703 1.00 0.44 C ATOM 692 CG GLU A 47 -5.092 -1.805 -9.094 1.00 0.62 C ATOM 693 CD GLU A 47 -4.298 -0.600 -9.540 1.00 0.99 C ATOM 694 OE1 GLU A 47 -4.583 0.520 -9.051 1.00 1.45 O ATOM 695 OE2 GLU A 47 -3.336 -0.757 -10.303 1.00 1.76 O ATOM 0 H GLU A 47 -4.208 -4.099 -6.132 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.867 -3.074 -8.458 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.402 -3.191 -7.491 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.964 -1.577 -6.968 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -4.950 -2.602 -9.824 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -6.151 -1.546 -9.107 1.00 0.62 H new ATOM 702 N THR A 48 -2.582 -1.510 -5.540 1.00 0.32 N ATOM 703 CA THR A 48 -1.785 -0.566 -4.758 1.00 0.33 C ATOM 704 C THR A 48 -0.311 -0.999 -4.789 1.00 0.32 C ATOM 705 O THR A 48 0.580 -0.227 -5.198 1.00 0.35 O ATOM 706 CB THR A 48 -2.224 -0.622 -3.279 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.630 -0.592 -3.179 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.644 0.540 -2.491 1.00 0.41 C ATOM 0 H THR A 48 -3.289 -2.000 -4.992 1.00 0.32 H new ATOM 0 HA THR A 48 -1.919 0.432 -5.175 1.00 0.33 H new ATOM 0 HB THR A 48 -1.848 -1.556 -2.861 1.00 0.38 H new ATOM 0 HG1 THR A 48 -3.987 0.081 -3.795 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.970 0.474 -1.453 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.556 0.501 -2.533 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.990 1.480 -2.921 1.00 0.41 H new ATOM 716 N ALA A 49 -0.078 -2.237 -4.342 1.00 0.32 N ATOM 717 CA ALA A 49 1.250 -2.801 -4.208 1.00 0.33 C ATOM 718 C ALA A 49 2.012 -2.735 -5.511 1.00 0.30 C ATOM 719 O ALA A 49 3.051 -2.085 -5.571 1.00 0.29 O ATOM 720 CB ALA A 49 1.174 -4.237 -3.707 1.00 0.40 C ATOM 0 H ALA A 49 -0.822 -2.876 -4.062 1.00 0.32 H new ATOM 0 HA ALA A 49 1.791 -2.203 -3.475 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.181 -4.643 -3.613 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.682 -4.258 -2.735 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.604 -4.840 -4.415 1.00 0.40 H new ATOM 726 N ALA A 50 1.445 -3.320 -6.568 1.00 0.31 N ATOM 727 CA ALA A 50 2.100 -3.384 -7.875 1.00 0.35 C ATOM 728 C ALA A 50 2.449 -2.002 -8.412 1.00 0.33 C ATOM 729 O ALA A 50 3.465 -1.841 -9.094 1.00 0.37 O ATOM 730 CB ALA A 50 1.249 -4.143 -8.878 1.00 0.44 C ATOM 0 H ALA A 50 0.525 -3.760 -6.543 1.00 0.31 H new ATOM 0 HA ALA A 50 3.035 -3.926 -7.731 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.761 -4.174 -9.840 1.00 0.44 H new ATOM 0 HB2 ALA A 50 1.085 -5.160 -8.521 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.289 -3.641 -8.994 1.00 0.44 H new ATOM 736 N ARG A 51 1.636 -1.003 -8.073 1.00 0.31 N ATOM 737 CA ARG A 51 1.883 0.363 -8.513 1.00 0.36 C ATOM 738 C ARG A 51 3.194 0.861 -7.904 1.00 0.30 C ATOM 739 O ARG A 51 4.117 1.267 -8.616 1.00 0.34 O ATOM 740 CB ARG A 51 0.725 1.305 -8.100 1.00 0.46 C ATOM 741 CG ARG A 51 0.895 2.731 -8.606 1.00 0.91 C ATOM 742 CD ARG A 51 0.743 2.800 -10.113 1.00 1.03 C ATOM 743 NE ARG A 51 -0.635 3.114 -10.535 1.00 1.65 N ATOM 744 CZ ARG A 51 -1.206 2.727 -11.690 1.00 2.23 C ATOM 745 NH1 ARG A 51 -0.673 1.743 -12.409 1.00 2.58 N ATOM 746 NH2 ARG A 51 -2.344 3.294 -12.079 1.00 3.05 N ATOM 0 H ARG A 51 0.803 -1.117 -7.496 1.00 0.31 H new ATOM 0 HA ARG A 51 1.950 0.368 -9.601 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.214 0.902 -8.480 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.649 1.320 -7.013 1.00 0.46 H new ATOM 0 HG2 ARG A 51 0.156 3.378 -8.133 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.877 3.107 -8.319 1.00 0.91 H new ATOM 0 HD2 ARG A 51 1.420 3.557 -10.508 1.00 1.03 H new ATOM 0 HD3 ARG A 51 1.043 1.847 -10.548 1.00 1.03 H new ATOM 0 HE ARG A 51 -1.203 3.672 -9.897 1.00 1.65 H new ATOM 0 HH11 ARG A 51 0.174 1.276 -12.086 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -1.112 1.455 -13.284 1.00 2.58 H new ATOM 0 HH21 ARG A 51 -2.777 4.016 -11.503 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -2.784 3.007 -12.953 1.00 3.05 H new ATOM 760 N LEU A 52 3.280 0.793 -6.590 1.00 0.25 N ATOM 761 CA LEU A 52 4.460 1.252 -5.876 1.00 0.24 C ATOM 762 C LEU A 52 5.674 0.377 -6.159 1.00 0.22 C ATOM 763 O LEU A 52 6.786 0.894 -6.350 1.00 0.26 O ATOM 764 CB LEU A 52 4.184 1.372 -4.381 1.00 0.28 C ATOM 765 CG LEU A 52 3.120 2.410 -3.995 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.918 2.430 -2.498 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.510 3.797 -4.492 1.00 0.41 C ATOM 0 H LEU A 52 2.543 0.422 -5.990 1.00 0.25 H new ATOM 0 HA LEU A 52 4.700 2.248 -6.248 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.871 0.398 -4.006 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.116 1.624 -3.875 1.00 0.28 H new ATOM 0 HG LEU A 52 2.182 2.125 -4.471 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.161 3.171 -2.243 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.591 1.446 -2.162 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.857 2.687 -2.008 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.741 4.515 -4.207 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.462 4.088 -4.048 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.606 3.781 -5.578 1.00 0.41 H new ATOM 779 N GLU A 53 5.454 -0.938 -6.218 1.00 0.20 N ATOM 780 CA GLU A 53 6.515 -1.893 -6.498 1.00 0.25 C ATOM 781 C GLU A 53 7.194 -1.597 -7.826 1.00 0.29 C ATOM 782 O GLU A 53 8.408 -1.389 -7.872 1.00 0.32 O ATOM 783 CB GLU A 53 6.001 -3.333 -6.510 1.00 0.28 C ATOM 784 CG GLU A 53 5.535 -3.856 -5.170 1.00 0.30 C ATOM 785 CD GLU A 53 5.125 -5.306 -5.249 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.975 -6.174 -5.432 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.916 -5.589 -5.152 1.00 0.55 O ATOM 0 H GLU A 53 4.539 -1.364 -6.073 1.00 0.20 H new ATOM 0 HA GLU A 53 7.240 -1.787 -5.691 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.175 -3.402 -7.217 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.794 -3.983 -6.881 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.334 -3.743 -4.437 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.694 -3.259 -4.819 1.00 0.30 H new ATOM 794 N SER A 54 6.402 -1.527 -8.883 1.00 0.35 N ATOM 795 CA SER A 54 6.922 -1.313 -10.230 1.00 0.46 C ATOM 796 C SER A 54 7.604 0.050 -10.373 1.00 0.42 C ATOM 797 O SER A 54 8.633 0.170 -11.048 1.00 0.46 O ATOM 798 CB SER A 54 5.796 -1.426 -11.247 1.00 0.61 C ATOM 799 OG SER A 54 5.090 -2.651 -11.104 1.00 1.51 O ATOM 0 H SER A 54 5.387 -1.616 -8.836 1.00 0.35 H new ATOM 0 HA SER A 54 7.671 -2.083 -10.415 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.107 -0.591 -11.124 1.00 0.61 H new ATOM 0 HB3 SER A 54 6.205 -1.356 -12.255 1.00 0.61 H new ATOM 0 HG SER A 54 4.332 -2.523 -10.496 1.00 1.51 H new ATOM 805 N ARG A 55 7.056 1.056 -9.696 1.00 0.40 N ATOM 806 CA ARG A 55 7.544 2.416 -9.811 1.00 0.45 C ATOM 807 C ARG A 55 8.987 2.552 -9.302 1.00 0.43 C ATOM 808 O ARG A 55 9.806 3.248 -9.918 1.00 0.49 O ATOM 809 CB ARG A 55 6.597 3.405 -9.095 1.00 0.54 C ATOM 810 CG ARG A 55 6.986 4.867 -9.267 1.00 0.70 C ATOM 811 CD ARG A 55 5.986 5.830 -8.621 1.00 1.09 C ATOM 812 NE ARG A 55 6.418 7.227 -8.807 1.00 1.64 N ATOM 813 CZ ARG A 55 5.617 8.320 -8.830 1.00 2.34 C ATOM 814 NH1 ARG A 55 4.301 8.226 -8.592 1.00 2.65 N ATOM 815 NH2 ARG A 55 6.147 9.510 -9.071 1.00 3.15 N ATOM 0 H ARG A 55 6.267 0.947 -9.058 1.00 0.40 H new ATOM 0 HA ARG A 55 7.556 2.670 -10.871 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.585 3.262 -9.473 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.576 3.168 -8.031 1.00 0.54 H new ATOM 0 HG2 ARG A 55 7.972 5.029 -8.831 1.00 0.70 H new ATOM 0 HG3 ARG A 55 7.066 5.094 -10.330 1.00 0.70 H new ATOM 0 HD2 ARG A 55 4.999 5.687 -9.061 1.00 1.09 H new ATOM 0 HD3 ARG A 55 5.896 5.610 -7.557 1.00 1.09 H new ATOM 0 HE ARG A 55 7.418 7.387 -8.931 1.00 1.64 H new ATOM 0 HH11 ARG A 55 3.883 7.318 -8.388 1.00 2.65 H new ATOM 0 HH12 ARG A 55 3.718 9.062 -8.615 1.00 2.65 H new ATOM 0 HH21 ARG A 55 7.150 9.598 -9.237 1.00 3.15 H new ATOM 0 HH22 ARG A 55 5.552 10.339 -9.090 1.00 3.15 H new ATOM 829 N TYR A 56 9.317 1.878 -8.208 1.00 0.40 N ATOM 830 CA TYR A 56 10.674 1.991 -7.671 1.00 0.48 C ATOM 831 C TYR A 56 11.521 0.766 -7.973 1.00 0.49 C ATOM 832 O TYR A 56 12.725 0.793 -7.810 1.00 0.63 O ATOM 833 CB TYR A 56 10.678 2.288 -6.175 1.00 0.57 C ATOM 834 CG TYR A 56 9.873 3.512 -5.800 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.405 4.789 -5.937 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.583 3.387 -5.304 1.00 0.58 C ATOM 837 CE1 TYR A 56 9.677 5.902 -5.589 1.00 0.94 C ATOM 838 CE2 TYR A 56 7.847 4.496 -4.953 1.00 0.69 C ATOM 839 CZ TYR A 56 8.400 5.762 -5.127 1.00 0.87 C ATOM 840 OH TYR A 56 7.661 6.856 -4.743 1.00 1.01 O ATOM 0 H TYR A 56 8.690 1.265 -7.687 1.00 0.40 H new ATOM 0 HA TYR A 56 11.127 2.840 -8.183 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.282 1.425 -5.640 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.707 2.424 -5.843 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.407 4.909 -6.323 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.150 2.404 -5.192 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.114 6.885 -5.681 1.00 0.94 H new ATOM 0 HE2 TYR A 56 6.852 4.385 -4.547 1.00 0.69 H new ATOM 0 HH TYR A 56 6.775 6.563 -4.443 1.00 1.01 H new ATOM 850 N GLY A 57 10.894 -0.295 -8.412 1.00 0.42 N ATOM 851 CA GLY A 57 11.626 -1.503 -8.735 1.00 0.47 C ATOM 852 C GLY A 57 11.855 -2.373 -7.515 1.00 0.48 C ATOM 853 O GLY A 57 12.914 -2.984 -7.356 1.00 0.64 O ATOM 0 H GLY A 57 9.886 -0.352 -8.555 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.076 -2.070 -9.486 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.587 -1.237 -9.176 1.00 0.47 H new ATOM 857 N VAL A 58 10.873 -2.417 -6.653 1.00 0.37 N ATOM 858 CA VAL A 58 10.944 -3.223 -5.447 1.00 0.39 C ATOM 859 C VAL A 58 9.957 -4.372 -5.527 1.00 0.37 C ATOM 860 O VAL A 58 9.207 -4.470 -6.507 1.00 0.39 O ATOM 861 CB VAL A 58 10.725 -2.402 -4.142 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.830 -1.378 -3.966 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.361 -1.713 -4.140 1.00 0.50 C ATOM 0 H VAL A 58 10.001 -1.899 -6.760 1.00 0.37 H new ATOM 0 HA VAL A 58 11.959 -3.615 -5.392 1.00 0.39 H new ATOM 0 HB VAL A 58 10.752 -3.098 -3.304 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.660 -0.814 -3.049 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.792 -1.887 -3.906 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.833 -0.696 -4.816 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.240 -1.149 -3.215 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.295 -1.035 -4.991 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.574 -2.464 -4.212 1.00 0.50 H new ATOM 873 N SER A 59 9.931 -5.223 -4.527 1.00 0.42 N ATOM 874 CA SER A 59 9.032 -6.341 -4.538 1.00 0.50 C ATOM 875 C SER A 59 8.487 -6.678 -3.147 1.00 0.48 C ATOM 876 O SER A 59 9.229 -6.781 -2.161 1.00 0.61 O ATOM 877 CB SER A 59 9.697 -7.549 -5.210 1.00 0.68 C ATOM 878 OG SER A 59 11.006 -7.772 -4.695 1.00 1.55 O ATOM 0 H SER A 59 10.523 -5.158 -3.699 1.00 0.42 H new ATOM 0 HA SER A 59 8.161 -6.059 -5.129 1.00 0.50 H new ATOM 0 HB2 SER A 59 9.086 -8.438 -5.053 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.750 -7.385 -6.286 1.00 0.68 H new ATOM 0 HG SER A 59 11.405 -8.549 -5.140 1.00 1.55 H new ATOM 884 N ILE A 60 7.196 -6.776 -3.071 1.00 0.42 N ATOM 885 CA ILE A 60 6.507 -7.175 -1.875 1.00 0.43 C ATOM 886 C ILE A 60 6.110 -8.622 -2.036 1.00 0.48 C ATOM 887 O ILE A 60 5.475 -8.973 -3.047 1.00 0.51 O ATOM 888 CB ILE A 60 5.219 -6.341 -1.664 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.554 -4.859 -1.539 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.433 -6.823 -0.436 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.340 -3.976 -1.485 1.00 0.50 C ATOM 0 H ILE A 60 6.574 -6.577 -3.855 1.00 0.42 H new ATOM 0 HA ILE A 60 7.163 -7.023 -1.018 1.00 0.43 H new ATOM 0 HB ILE A 60 4.585 -6.482 -2.540 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.148 -4.703 -0.639 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.173 -4.561 -2.385 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.535 -6.216 -0.317 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.150 -7.867 -0.572 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.055 -6.729 0.454 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.651 -2.935 -1.396 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.756 -4.104 -2.397 1.00 0.50 H new ATOM 0 HD13 ILE A 60 3.731 -4.248 -0.623 1.00 0.50 H new ATOM 903 N PRO A 61 6.527 -9.501 -1.114 1.00 0.55 N ATOM 904 CA PRO A 61 6.108 -10.900 -1.125 1.00 0.61 C ATOM 905 C PRO A 61 4.589 -10.987 -1.172 1.00 0.52 C ATOM 906 O PRO A 61 3.896 -10.311 -0.398 1.00 0.43 O ATOM 907 CB PRO A 61 6.630 -11.435 0.209 1.00 0.69 C ATOM 908 CG PRO A 61 7.813 -10.584 0.506 1.00 0.75 C ATOM 909 CD PRO A 61 7.462 -9.215 -0.006 1.00 0.63 C ATOM 0 HA PRO A 61 6.482 -11.457 -1.984 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.876 -11.356 0.992 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.905 -12.487 0.136 1.00 0.69 H new ATOM 0 HG2 PRO A 61 8.021 -10.561 1.576 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.707 -10.969 0.015 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.996 -8.603 0.766 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.344 -8.676 -0.352 1.00 0.63 H new ATOM 917 N ASP A 62 4.080 -11.787 -2.089 1.00 0.58 N ATOM 918 CA ASP A 62 2.636 -11.954 -2.305 1.00 0.57 C ATOM 919 C ASP A 62 1.905 -12.366 -1.034 1.00 0.48 C ATOM 920 O ASP A 62 0.770 -11.953 -0.803 1.00 0.49 O ATOM 921 CB ASP A 62 2.329 -12.923 -3.481 1.00 0.74 C ATOM 922 CG ASP A 62 2.849 -14.346 -3.299 1.00 1.16 C ATOM 923 OD1 ASP A 62 4.088 -14.567 -3.442 1.00 1.38 O ATOM 924 OD2 ASP A 62 2.047 -15.265 -3.044 1.00 1.91 O ATOM 0 H ASP A 62 4.654 -12.350 -2.717 1.00 0.58 H new ATOM 0 HA ASP A 62 2.253 -10.974 -2.588 1.00 0.57 H new ATOM 0 HB2 ASP A 62 1.249 -12.963 -3.626 1.00 0.74 H new ATOM 0 HB3 ASP A 62 2.758 -12.510 -4.394 1.00 0.74 H new ATOM 929 N ASP A 63 2.581 -13.099 -0.170 1.00 0.51 N ATOM 930 CA ASP A 63 1.991 -13.521 1.099 1.00 0.55 C ATOM 931 C ASP A 63 1.912 -12.360 2.068 1.00 0.45 C ATOM 932 O ASP A 63 1.036 -12.311 2.923 1.00 0.48 O ATOM 933 CB ASP A 63 2.772 -14.658 1.762 1.00 0.80 C ATOM 934 CG ASP A 63 2.740 -15.955 1.005 1.00 1.25 C ATOM 935 OD1 ASP A 63 1.663 -16.594 0.936 1.00 1.88 O ATOM 936 OD2 ASP A 63 3.761 -16.336 0.407 1.00 1.94 O ATOM 0 H ASP A 63 3.539 -13.418 -0.318 1.00 0.51 H new ATOM 0 HA ASP A 63 0.991 -13.884 0.861 1.00 0.55 H new ATOM 0 HB2 ASP A 63 3.810 -14.347 1.883 1.00 0.80 H new ATOM 0 HB3 ASP A 63 2.370 -14.824 2.761 1.00 0.80 H new ATOM 941 N VAL A 64 2.780 -11.381 1.898 1.00 0.43 N ATOM 942 CA VAL A 64 2.823 -10.265 2.815 1.00 0.43 C ATOM 943 C VAL A 64 1.679 -9.281 2.540 1.00 0.34 C ATOM 944 O VAL A 64 1.227 -8.587 3.438 1.00 0.37 O ATOM 945 CB VAL A 64 4.214 -9.552 2.857 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.212 -8.373 3.818 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.288 -10.533 3.280 1.00 0.70 C ATOM 0 H VAL A 64 3.459 -11.338 1.138 1.00 0.43 H new ATOM 0 HA VAL A 64 2.678 -10.678 3.813 1.00 0.43 H new ATOM 0 HB VAL A 64 4.420 -9.179 1.854 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.196 -7.903 3.820 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.464 -7.647 3.501 1.00 0.66 H new ATOM 0 HG13 VAL A 64 3.975 -8.723 4.823 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.253 -10.027 3.306 1.00 0.70 H new ATOM 0 HG22 VAL A 64 5.055 -10.922 4.271 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.330 -11.357 2.567 1.00 0.70 H new ATOM 957 N ALA A 65 1.154 -9.286 1.318 1.00 0.32 N ATOM 958 CA ALA A 65 -0.034 -8.473 1.003 1.00 0.34 C ATOM 959 C ALA A 65 -1.261 -8.992 1.792 1.00 0.37 C ATOM 960 O ALA A 65 -2.256 -8.303 1.960 1.00 0.46 O ATOM 961 CB ALA A 65 -0.304 -8.411 -0.500 1.00 0.42 C ATOM 0 H ALA A 65 1.519 -9.831 0.537 1.00 0.32 H new ATOM 0 HA ALA A 65 0.163 -7.448 1.318 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -1.188 -7.802 -0.686 1.00 0.42 H new ATOM 0 HB2 ALA A 65 0.554 -7.969 -1.006 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -0.471 -9.418 -0.882 1.00 0.42 H new ATOM 967 N GLY A 66 -1.160 -10.222 2.285 1.00 0.39 N ATOM 968 CA GLY A 66 -2.195 -10.779 3.123 1.00 0.50 C ATOM 969 C GLY A 66 -1.823 -10.671 4.592 1.00 0.52 C ATOM 970 O GLY A 66 -2.620 -10.974 5.480 1.00 0.73 O ATOM 0 H GLY A 66 -0.370 -10.845 2.114 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -3.134 -10.256 2.943 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.357 -11.825 2.861 1.00 0.50 H new ATOM 974 N ARG A 67 -0.612 -10.225 4.837 1.00 0.42 N ATOM 975 CA ARG A 67 -0.082 -10.072 6.184 1.00 0.50 C ATOM 976 C ARG A 67 -0.158 -8.627 6.647 1.00 0.49 C ATOM 977 O ARG A 67 -0.025 -8.336 7.826 1.00 0.60 O ATOM 978 CB ARG A 67 1.358 -10.584 6.257 1.00 0.56 C ATOM 979 CG ARG A 67 1.480 -12.093 6.172 1.00 1.09 C ATOM 980 CD ARG A 67 2.933 -12.522 6.129 1.00 1.24 C ATOM 981 NE ARG A 67 3.718 -11.954 7.232 1.00 2.11 N ATOM 982 CZ ARG A 67 5.053 -11.791 7.215 1.00 2.57 C ATOM 983 NH1 ARG A 67 5.778 -12.281 6.215 1.00 2.21 N ATOM 984 NH2 ARG A 67 5.648 -11.164 8.206 1.00 3.62 N ATOM 0 H ARG A 67 0.043 -9.954 4.104 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.699 -10.670 6.855 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.933 -10.137 5.446 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.806 -10.245 7.191 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.988 -12.550 7.031 1.00 1.09 H new ATOM 0 HG3 ARG A 67 0.965 -12.453 5.281 1.00 1.09 H new ATOM 0 HD2 ARG A 67 2.989 -13.610 6.170 1.00 1.24 H new ATOM 0 HD3 ARG A 67 3.371 -12.215 5.179 1.00 1.24 H new ATOM 0 HE ARG A 67 3.216 -11.662 8.070 1.00 2.11 H new ATOM 0 HH11 ARG A 67 5.323 -12.784 5.454 1.00 2.21 H new ATOM 0 HH12 ARG A 67 6.790 -12.154 6.209 1.00 2.21 H new ATOM 0 HH21 ARG A 67 5.097 -10.803 8.985 1.00 3.62 H new ATOM 0 HH22 ARG A 67 6.660 -11.039 8.196 1.00 3.62 H new ATOM 998 N VAL A 68 -0.337 -7.729 5.721 1.00 0.44 N ATOM 999 CA VAL A 68 -0.473 -6.332 6.052 1.00 0.44 C ATOM 1000 C VAL A 68 -1.906 -6.029 6.482 1.00 0.52 C ATOM 1001 O VAL A 68 -2.855 -6.262 5.744 1.00 0.94 O ATOM 1002 CB VAL A 68 -0.001 -5.409 4.892 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.504 -5.526 4.729 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.691 -5.755 3.575 1.00 0.57 C ATOM 0 H VAL A 68 -0.393 -7.937 4.724 1.00 0.44 H new ATOM 0 HA VAL A 68 0.184 -6.117 6.894 1.00 0.44 H new ATOM 0 HB VAL A 68 -0.270 -4.384 5.148 1.00 0.46 H new ATOM 0 HG11 VAL A 68 1.833 -4.879 3.916 1.00 0.50 H new ATOM 0 HG12 VAL A 68 1.995 -5.224 5.654 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.766 -6.559 4.499 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -0.334 -5.088 2.791 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.464 -6.786 3.305 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.769 -5.638 3.687 1.00 0.57 H new ATOM 1014 N ASP A 69 -2.048 -5.568 7.704 1.00 0.40 N ATOM 1015 CA ASP A 69 -3.371 -5.311 8.279 1.00 0.57 C ATOM 1016 C ASP A 69 -3.832 -3.899 7.964 1.00 0.40 C ATOM 1017 O ASP A 69 -5.011 -3.658 7.672 1.00 0.48 O ATOM 1018 CB ASP A 69 -3.314 -5.502 9.803 1.00 0.94 C ATOM 1019 CG ASP A 69 -4.669 -5.401 10.473 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -5.491 -6.340 10.373 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -4.948 -4.348 11.082 1.00 2.46 O ATOM 0 H ASP A 69 -1.269 -5.360 8.329 1.00 0.40 H new ATOM 0 HA ASP A 69 -4.081 -6.014 7.842 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -2.880 -6.477 10.024 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -2.648 -4.752 10.231 1.00 0.94 H new ATOM 1026 N THR A 70 -2.900 -2.981 7.972 1.00 0.35 N ATOM 1027 CA THR A 70 -3.188 -1.587 7.736 1.00 0.30 C ATOM 1028 C THR A 70 -2.191 -1.019 6.735 1.00 0.26 C ATOM 1029 O THR A 70 -1.104 -1.602 6.539 1.00 0.26 O ATOM 1030 CB THR A 70 -3.064 -0.788 9.051 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.784 -1.068 9.669 1.00 0.54 O ATOM 1032 CG2 THR A 70 -4.192 -1.126 10.012 1.00 0.52 C ATOM 0 H THR A 70 -1.914 -3.179 8.143 1.00 0.35 H new ATOM 0 HA THR A 70 -4.203 -1.505 7.347 1.00 0.30 H new ATOM 0 HB THR A 70 -3.134 0.274 8.815 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.705 -0.559 10.503 1.00 0.54 H new ATOM 0 HG21 THR A 70 -4.076 -0.547 10.928 1.00 0.52 H new ATOM 0 HG22 THR A 70 -5.149 -0.885 9.549 1.00 0.52 H new ATOM 0 HG23 THR A 70 -4.162 -2.189 10.249 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.544 0.090 6.049 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.627 0.796 5.155 1.00 0.28 C ATOM 1042 C PRO A 71 -0.360 1.198 5.889 1.00 0.27 C ATOM 1043 O PRO A 71 0.710 1.195 5.308 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.418 2.022 4.727 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.828 1.584 4.824 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.883 0.702 6.030 1.00 0.33 C ATOM 0 HA PRO A 71 -1.303 0.186 4.312 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.218 2.874 5.377 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.163 2.328 3.712 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.499 2.437 4.929 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.135 1.045 3.928 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -4.080 1.271 6.938 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.669 -0.048 5.947 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.505 1.541 7.176 1.00 0.29 N ATOM 1055 CA ARG A 72 0.626 1.810 8.068 1.00 0.34 C ATOM 1056 C ARG A 72 1.655 0.664 7.985 1.00 0.32 C ATOM 1057 O ARG A 72 2.856 0.893 7.807 1.00 0.35 O ATOM 1058 CB ARG A 72 0.108 1.984 9.517 1.00 0.42 C ATOM 1059 CG ARG A 72 1.184 2.021 10.604 1.00 0.72 C ATOM 1060 CD ARG A 72 2.156 3.180 10.444 1.00 0.75 C ATOM 1061 NE ARG A 72 1.561 4.492 10.707 1.00 0.84 N ATOM 1062 CZ ARG A 72 2.229 5.654 10.596 1.00 1.44 C ATOM 1063 NH1 ARG A 72 3.457 5.681 10.054 1.00 2.34 N ATOM 1064 NH2 ARG A 72 1.669 6.785 11.008 1.00 1.57 N ATOM 0 H ARG A 72 -1.414 1.640 7.627 1.00 0.29 H new ATOM 0 HA ARG A 72 1.122 2.730 7.759 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.468 2.908 9.569 1.00 0.42 H new ATOM 0 HB3 ARG A 72 -0.579 1.167 9.739 1.00 0.42 H new ATOM 0 HG2 ARG A 72 0.703 2.090 11.580 1.00 0.72 H new ATOM 0 HG3 ARG A 72 1.740 1.084 10.588 1.00 0.72 H new ATOM 0 HD2 ARG A 72 2.998 3.031 11.120 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.555 3.169 9.430 1.00 0.75 H new ATOM 0 HE ARG A 72 0.582 4.527 10.991 1.00 0.84 H new ATOM 0 HH11 ARG A 72 3.888 4.817 9.724 1.00 2.34 H new ATOM 0 HH12 ARG A 72 3.959 6.565 9.972 1.00 2.34 H new ATOM 0 HH21 ARG A 72 0.731 6.773 11.409 1.00 1.57 H new ATOM 0 HH22 ARG A 72 2.176 7.666 10.923 1.00 1.57 H new ATOM 1078 N GLU A 73 1.164 -0.555 8.084 1.00 0.30 N ATOM 1079 CA GLU A 73 2.000 -1.742 8.027 1.00 0.31 C ATOM 1080 C GLU A 73 2.602 -1.912 6.611 1.00 0.30 C ATOM 1081 O GLU A 73 3.808 -2.126 6.450 1.00 0.33 O ATOM 1082 CB GLU A 73 1.157 -2.972 8.387 1.00 0.36 C ATOM 1083 CG GLU A 73 1.959 -4.228 8.654 1.00 0.42 C ATOM 1084 CD GLU A 73 2.805 -4.096 9.894 1.00 1.08 C ATOM 1085 OE1 GLU A 73 2.313 -4.338 11.002 1.00 1.74 O ATOM 1086 OE2 GLU A 73 3.998 -3.770 9.771 1.00 1.68 O ATOM 0 H GLU A 73 0.171 -0.753 8.207 1.00 0.30 H new ATOM 0 HA GLU A 73 2.818 -1.637 8.739 1.00 0.31 H new ATOM 0 HB2 GLU A 73 0.561 -2.742 9.270 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.458 -3.168 7.574 1.00 0.36 H new ATOM 0 HG2 GLU A 73 1.282 -5.075 8.764 1.00 0.42 H new ATOM 0 HG3 GLU A 73 2.599 -4.440 7.798 1.00 0.42 H new ATOM 1093 N LEU A 74 1.754 -1.755 5.603 1.00 0.28 N ATOM 1094 CA LEU A 74 2.128 -1.966 4.194 1.00 0.31 C ATOM 1095 C LEU A 74 3.167 -0.915 3.735 1.00 0.31 C ATOM 1096 O LEU A 74 4.085 -1.230 2.973 1.00 0.34 O ATOM 1097 CB LEU A 74 0.812 -1.984 3.333 1.00 0.32 C ATOM 1098 CG LEU A 74 0.866 -2.366 1.821 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.343 -1.208 0.957 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.764 -3.580 1.598 1.00 0.50 C ATOM 0 H LEU A 74 0.781 -1.477 5.731 1.00 0.28 H new ATOM 0 HA LEU A 74 2.625 -2.927 4.061 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.120 -2.674 3.816 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.369 -0.990 3.399 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.152 -2.613 1.522 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.365 -1.518 -0.088 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.662 -0.365 1.070 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.344 -0.910 1.268 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.785 -3.827 0.536 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.774 -3.353 1.938 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.374 -4.429 2.160 1.00 0.50 H new ATOM 1112 N LEU A 75 3.028 0.300 4.236 1.00 0.32 N ATOM 1113 CA LEU A 75 3.962 1.399 3.973 1.00 0.34 C ATOM 1114 C LEU A 75 5.379 1.015 4.372 1.00 0.33 C ATOM 1115 O LEU A 75 6.313 1.072 3.564 1.00 0.31 O ATOM 1116 CB LEU A 75 3.540 2.639 4.776 1.00 0.38 C ATOM 1117 CG LEU A 75 4.452 3.869 4.678 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.508 4.391 3.260 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.992 4.956 5.633 1.00 0.52 C ATOM 0 H LEU A 75 2.254 0.562 4.847 1.00 0.32 H new ATOM 0 HA LEU A 75 3.940 1.615 2.905 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.541 2.930 4.452 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.464 2.355 5.826 1.00 0.38 H new ATOM 0 HG LEU A 75 5.459 3.565 4.965 1.00 0.45 H new ATOM 0 HD11 LEU A 75 5.161 5.263 3.219 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.897 3.614 2.602 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.506 4.673 2.936 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.652 5.819 5.547 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.973 5.252 5.383 1.00 0.52 H new ATOM 0 HD23 LEU A 75 4.020 4.578 6.655 1.00 0.52 H new ATOM 1131 N ASP A 76 5.517 0.576 5.608 1.00 0.35 N ATOM 1132 CA ASP A 76 6.818 0.261 6.183 1.00 0.37 C ATOM 1133 C ASP A 76 7.442 -0.932 5.493 1.00 0.34 C ATOM 1134 O ASP A 76 8.666 -1.029 5.375 1.00 0.35 O ATOM 1135 CB ASP A 76 6.688 0.006 7.676 1.00 0.45 C ATOM 1136 CG ASP A 76 8.022 -0.117 8.368 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.738 0.890 8.506 1.00 0.69 O ATOM 1138 OD2 ASP A 76 8.399 -1.240 8.735 1.00 0.59 O ATOM 0 H ASP A 76 4.734 0.427 6.244 1.00 0.35 H new ATOM 0 HA ASP A 76 7.474 1.118 6.031 1.00 0.37 H new ATOM 0 HB2 ASP A 76 6.122 0.819 8.131 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.116 -0.908 7.835 1.00 0.45 H new ATOM 1143 N LEU A 77 6.592 -1.815 4.996 1.00 0.34 N ATOM 1144 CA LEU A 77 7.032 -2.987 4.274 1.00 0.35 C ATOM 1145 C LEU A 77 7.734 -2.537 2.986 1.00 0.34 C ATOM 1146 O LEU A 77 8.839 -3.000 2.675 1.00 0.43 O ATOM 1147 CB LEU A 77 5.814 -3.909 3.977 1.00 0.38 C ATOM 1148 CG LEU A 77 6.087 -5.360 3.496 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.691 -5.428 2.100 1.00 1.15 C ATOM 1150 CD2 LEU A 77 6.972 -6.086 4.494 1.00 1.54 C ATOM 0 H LEU A 77 5.579 -1.736 5.084 1.00 0.34 H new ATOM 0 HA LEU A 77 7.740 -3.562 4.871 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.213 -3.967 4.884 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.202 -3.418 3.220 1.00 0.38 H new ATOM 0 HG LEU A 77 5.118 -5.856 3.436 1.00 0.43 H new ATOM 0 HD11 LEU A 77 6.857 -6.470 1.826 1.00 1.15 H new ATOM 0 HD12 LEU A 77 6.008 -4.969 1.385 1.00 1.15 H new ATOM 0 HD13 LEU A 77 7.641 -4.894 2.088 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.156 -7.102 4.145 1.00 1.54 H new ATOM 0 HD22 LEU A 77 7.921 -5.558 4.590 1.00 1.54 H new ATOM 0 HD23 LEU A 77 6.475 -6.120 5.464 1.00 1.54 H new ATOM 1162 N ILE A 78 7.127 -1.588 2.275 1.00 0.27 N ATOM 1163 CA ILE A 78 7.712 -1.092 1.038 1.00 0.26 C ATOM 1164 C ILE A 78 8.961 -0.308 1.351 1.00 0.28 C ATOM 1165 O ILE A 78 9.940 -0.403 0.646 1.00 0.33 O ATOM 1166 CB ILE A 78 6.733 -0.224 0.194 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.478 -1.033 -0.116 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.405 0.240 -1.112 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.499 -0.360 -1.055 1.00 0.29 C ATOM 0 H ILE A 78 6.241 -1.154 2.533 1.00 0.27 H new ATOM 0 HA ILE A 78 7.951 -1.963 0.428 1.00 0.26 H new ATOM 0 HB ILE A 78 6.460 0.662 0.767 1.00 0.21 H new ATOM 0 HG12 ILE A 78 5.777 -1.987 -0.550 1.00 0.25 H new ATOM 0 HG13 ILE A 78 4.966 -1.255 0.820 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.704 0.845 -1.687 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.288 0.834 -0.876 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.699 -0.630 -1.699 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.640 -1.012 -1.214 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.164 0.581 -0.618 1.00 0.29 H new ATOM 0 HD13 ILE A 78 4.987 -0.163 -2.010 1.00 0.29 H new ATOM 1181 N ASN A 79 8.937 0.409 2.452 1.00 0.28 N ATOM 1182 CA ASN A 79 10.099 1.183 2.890 1.00 0.32 C ATOM 1183 C ASN A 79 11.288 0.283 3.189 1.00 0.34 C ATOM 1184 O ASN A 79 12.435 0.648 2.936 1.00 0.37 O ATOM 1185 CB ASN A 79 9.773 2.061 4.097 1.00 0.37 C ATOM 1186 CG ASN A 79 8.844 3.205 3.757 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.795 3.651 2.627 1.00 1.24 O ATOM 1188 ND2 ASN A 79 8.153 3.725 4.737 1.00 0.69 N ATOM 0 H ASN A 79 8.128 0.479 3.069 1.00 0.28 H new ATOM 0 HA ASN A 79 10.370 1.840 2.063 1.00 0.32 H new ATOM 0 HB2 ASN A 79 9.317 1.447 4.874 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.699 2.462 4.510 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.550 4.529 4.565 1.00 0.69 H new ATOM 0 HD22 ASN A 79 8.217 3.326 5.674 1.00 0.69 H new ATOM 1195 N GLY A 80 11.006 -0.904 3.696 1.00 0.37 N ATOM 1196 CA GLY A 80 12.049 -1.879 3.939 1.00 0.43 C ATOM 1197 C GLY A 80 12.619 -2.401 2.638 1.00 0.42 C ATOM 1198 O GLY A 80 13.808 -2.694 2.538 1.00 0.50 O ATOM 0 H GLY A 80 10.067 -1.213 3.946 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.843 -1.426 4.532 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.648 -2.708 4.523 1.00 0.43 H new ATOM 1202 N ALA A 81 11.768 -2.503 1.637 1.00 0.38 N ATOM 1203 CA ALA A 81 12.178 -2.932 0.314 1.00 0.40 C ATOM 1204 C ALA A 81 12.970 -1.807 -0.359 1.00 0.37 C ATOM 1205 O ALA A 81 13.979 -2.045 -1.022 1.00 0.44 O ATOM 1206 CB ALA A 81 10.953 -3.324 -0.519 1.00 0.42 C ATOM 0 H ALA A 81 10.773 -2.291 1.717 1.00 0.38 H new ATOM 0 HA ALA A 81 12.819 -3.810 0.394 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.274 -3.644 -1.510 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.425 -4.141 -0.027 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.287 -2.466 -0.613 1.00 0.42 H new ATOM 1212 N LEU A 82 12.526 -0.573 -0.118 1.00 0.35 N ATOM 1213 CA LEU A 82 13.154 0.641 -0.648 1.00 0.39 C ATOM 1214 C LEU A 82 14.556 0.837 -0.116 1.00 0.53 C ATOM 1215 O LEU A 82 15.344 1.562 -0.705 1.00 0.67 O ATOM 1216 CB LEU A 82 12.320 1.891 -0.343 1.00 0.39 C ATOM 1217 CG LEU A 82 10.963 2.000 -1.031 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.261 3.268 -0.592 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.124 1.987 -2.537 1.00 0.49 C ATOM 0 H LEU A 82 11.707 -0.384 0.460 1.00 0.35 H new ATOM 0 HA LEU A 82 13.208 0.503 -1.728 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.159 1.937 0.734 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.909 2.767 -0.615 1.00 0.39 H new ATOM 0 HG LEU A 82 10.358 1.140 -0.743 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.293 3.338 -1.088 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.115 3.248 0.488 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.869 4.132 -0.860 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.144 2.066 -3.008 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.743 2.830 -2.844 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.601 1.056 -2.844 1.00 0.49 H new ATOM 1231 N ALA A 83 14.871 0.195 0.995 1.00 0.63 N ATOM 1232 CA ALA A 83 16.210 0.259 1.561 1.00 0.81 C ATOM 1233 C ALA A 83 17.223 -0.350 0.589 1.00 0.84 C ATOM 1234 O ALA A 83 18.367 0.106 0.499 1.00 1.00 O ATOM 1235 CB ALA A 83 16.262 -0.445 2.906 1.00 0.99 C ATOM 0 H ALA A 83 14.216 -0.379 1.526 1.00 0.63 H new ATOM 0 HA ALA A 83 16.469 1.306 1.721 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.273 -0.384 3.310 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.567 0.035 3.595 1.00 0.99 H new ATOM 0 HB3 ALA A 83 15.984 -1.491 2.780 1.00 0.99 H new ATOM 1241 N GLU A 84 16.767 -1.344 -0.177 1.00 0.79 N ATOM 1242 CA GLU A 84 17.592 -2.021 -1.174 1.00 0.94 C ATOM 1243 C GLU A 84 17.532 -1.296 -2.514 1.00 0.95 C ATOM 1244 O GLU A 84 18.263 -1.628 -3.460 1.00 1.34 O ATOM 1245 CB GLU A 84 17.146 -3.473 -1.334 1.00 1.11 C ATOM 1246 CG GLU A 84 17.386 -4.324 -0.101 1.00 1.64 C ATOM 1247 CD GLU A 84 18.855 -4.472 0.209 1.00 1.84 C ATOM 1248 OE1 GLU A 84 19.430 -3.606 0.888 1.00 2.18 O ATOM 1249 OE2 GLU A 84 19.467 -5.469 -0.223 1.00 2.22 O ATOM 0 H GLU A 84 15.813 -1.701 -0.121 1.00 0.79 H new ATOM 0 HA GLU A 84 18.625 -2.008 -0.827 1.00 0.94 H new ATOM 0 HB2 GLU A 84 16.084 -3.493 -1.577 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.675 -3.915 -2.178 1.00 1.11 H new ATOM 0 HG2 GLU A 84 16.879 -3.875 0.753 1.00 1.64 H new ATOM 0 HG3 GLU A 84 16.946 -5.310 -0.250 1.00 1.64 H new ATOM 1256 N ALA A 85 16.680 -0.316 -2.583 1.00 0.92 N ATOM 1257 CA ALA A 85 16.504 0.485 -3.762 1.00 1.13 C ATOM 1258 C ALA A 85 17.098 1.856 -3.496 1.00 1.45 C ATOM 1259 O ALA A 85 17.762 2.059 -2.465 1.00 2.15 O ATOM 1260 CB ALA A 85 15.022 0.593 -4.100 1.00 1.72 C ATOM 0 H ALA A 85 16.076 -0.045 -1.807 1.00 0.92 H new ATOM 0 HA ALA A 85 17.008 0.027 -4.613 1.00 1.13 H new ATOM 0 HB1 ALA A 85 14.896 1.202 -4.995 1.00 1.72 H new ATOM 0 HB2 ALA A 85 14.616 -0.403 -4.279 1.00 1.72 H new ATOM 0 HB3 ALA A 85 14.492 1.057 -3.268 1.00 1.72 H new ATOM 1266 N ALA A 86 16.879 2.779 -4.383 1.00 1.81 N ATOM 1267 CA ALA A 86 17.409 4.108 -4.232 1.00 2.61 C ATOM 1268 C ALA A 86 16.492 5.086 -4.914 1.00 2.71 C ATOM 1269 O ALA A 86 16.814 5.586 -6.004 1.00 3.04 O ATOM 1270 CB ALA A 86 18.819 4.192 -4.804 1.00 3.54 C ATOM 1271 OXT ALA A 86 15.389 5.308 -4.406 1.00 3.10 O ATOM 0 H ALA A 86 16.330 2.637 -5.231 1.00 1.81 H new ATOM 0 HA ALA A 86 17.469 4.356 -3.172 1.00 2.61 H new ATOM 0 HB1 ALA A 86 19.202 5.205 -4.680 1.00 3.54 H new ATOM 0 HB2 ALA A 86 19.468 3.492 -4.277 1.00 3.54 H new ATOM 0 HB3 ALA A 86 18.797 3.939 -5.864 1.00 3.54 H new TER 1277 ALA A 86 HETATM 1278 O23 PSR A 87 -8.522 -12.495 -1.831 1.00 1.31 O HETATM 1279 P24 PSR A 87 -8.630 -11.557 -3.061 1.00 1.02 P HETATM 1280 O26 PSR A 87 -9.970 -11.553 -3.847 1.00 1.20 O HETATM 1281 O27 PSR A 87 -7.496 -11.883 -4.049 1.00 0.86 O HETATM 1282 C28 PSR A 87 -7.357 -11.004 -5.209 1.00 0.77 C HETATM 1283 C29 PSR A 87 -6.033 -11.221 -5.933 1.00 0.82 C HETATM 1284 C30 PSR A 87 -5.908 -10.096 -6.915 1.00 0.94 C HETATM 1285 C31 PSR A 87 -4.879 -11.107 -4.929 1.00 0.94 C HETATM 1286 C32 PSR A 87 -5.996 -12.606 -6.733 1.00 0.97 C HETATM 1287 O33 PSR A 87 -7.038 -12.605 -7.719 1.00 1.07 O HETATM 1288 C34 PSR A 87 -6.231 -13.860 -5.861 1.00 1.04 C HETATM 1289 O35 PSR A 87 -7.264 -14.539 -6.056 1.00 1.12 O HETATM 1290 N36 PSR A 87 -5.313 -14.190 -4.971 1.00 1.17 N HETATM 1291 C37 PSR A 87 -5.384 -15.372 -4.095 1.00 1.38 C HETATM 1292 C38 PSR A 87 -4.394 -15.329 -2.938 1.00 1.65 C HETATM 1293 C39 PSR A 87 -4.833 -14.411 -1.822 1.00 1.64 C HETATM 1294 O40 PSR A 87 -5.984 -14.426 -1.369 1.00 2.45 O HETATM 1295 N41 PSR A 87 -3.891 -13.628 -1.382 1.00 1.40 N HETATM 1296 C42 PSR A 87 -4.037 -12.651 -0.331 1.00 1.54 C HETATM 1297 C43 PSR A 87 -3.831 -11.267 -0.886 1.00 1.34 C HETATM 1298 S1 PSR A 87 -2.475 -11.288 -1.949 1.00 1.78 S HETATM 1299 C1 PSR A 87 -2.610 -9.678 -2.570 1.00 1.60 C HETATM 1300 O1 PSR A 87 -3.316 -8.789 -2.071 1.00 2.22 O HETATM 1301 C2 PSR A 87 -1.785 -9.430 -3.820 1.00 1.64 C HETATM 1302 C3 PSR A 87 -0.343 -9.895 -3.700 1.00 1.78 C HETATM 1303 C4 PSR A 87 0.385 -9.624 -4.993 1.00 1.76 C HETATM 0 HC43 PSR A 87 -0.103 -10.163 -5.805 1.00 1.76 H new HETATM 0 HC42 PSR A 87 0.366 -8.555 -5.204 1.00 1.76 H new HETATM 0 HC41 PSR A 87 1.419 -9.958 -4.905 1.00 1.76 H new HETATM 0 HC32 PSR A 87 0.150 -9.376 -2.878 1.00 1.78 H new HETATM 0 HC31 PSR A 87 -0.312 -10.960 -3.469 1.00 1.78 H new HETATM 0 HC22 PSR A 87 -2.254 -9.940 -4.662 1.00 1.64 H new HETATM 0 HC21 PSR A 87 -1.796 -8.364 -4.047 1.00 1.64 H new HETATM 0 H432 PSR A 87 -4.723 -10.938 -1.419 1.00 1.34 H new HETATM 0 H431 PSR A 87 -3.664 -10.557 -0.076 1.00 1.34 H new HETATM 0 H422 PSR A 87 -5.028 -12.729 0.115 1.00 1.54 H new HETATM 0 H421 PSR A 87 -3.314 -12.846 0.461 1.00 1.54 H new HETATM 0 H411 PSR A 87 -2.972 -13.712 -1.817 1.00 1.40 H new HETATM 0 H382 PSR A 87 -4.262 -16.336 -2.542 1.00 1.65 H new HETATM 0 H381 PSR A 87 -3.423 -15.002 -3.310 1.00 1.65 H new HETATM 0 H372 PSR A 87 -6.394 -15.459 -3.696 1.00 1.38 H new HETATM 0 H371 PSR A 87 -5.198 -16.267 -4.689 1.00 1.38 H new HETATM 0 H361 PSR A 87 -4.497 -13.584 -4.884 1.00 1.17 H new HETATM 0 H331 PSR A 87 -7.641 -13.360 -7.558 1.00 1.07 H new HETATM 0 H321 PSR A 87 -4.992 -12.667 -7.153 1.00 0.97 H new HETATM 0 H313 PSR A 87 -4.888 -10.116 -4.476 1.00 0.94 H new HETATM 0 H312 PSR A 87 -4.997 -11.862 -4.152 1.00 0.94 H new HETATM 0 H311 PSR A 87 -3.931 -11.262 -5.445 1.00 0.94 H new HETATM 0 H303 PSR A 87 -6.746 -10.126 -7.611 1.00 0.94 H new HETATM 0 H302 PSR A 87 -5.913 -9.145 -6.382 1.00 0.94 H new HETATM 0 H301 PSR A 87 -4.974 -10.197 -7.467 1.00 0.94 H new HETATM 0 H282 PSR A 87 -8.181 -11.182 -5.900 1.00 0.77 H new HETATM 0 H281 PSR A 87 -7.429 -9.965 -4.887 1.00 0.77 H new