USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 490 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 Single : A 1 GLY N :NH3+ -124:sc= 0.136 (180deg=0) USER MOD Single : A 3 MET CE :methyl 175:sc= 0 (180deg=-0.012) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0475 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 101:sc= 1.15 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.43 USER MOD Single : A 24 SER OG : rot -36:sc= 0.423 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0864 X(o=-0.086,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.9!) USER MOD Single : A 37 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.0033) USER MOD Single : A 38 SER OG : rot -37:sc= 0.17 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -86:sc= 0.631 USER MOD Single : A 43 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.02) USER MOD Single : A 46 THR OG1 : rot -12:sc= 0.018 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.267 3.909 -5.533 1.00 0.00 N ATOM 2 CA GLY A 1 -39.645 5.164 -6.047 1.00 0.00 C ATOM 3 C GLY A 1 -38.266 5.352 -5.407 1.00 0.00 C ATOM 4 O GLY A 1 -37.777 4.473 -4.725 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.515 3.292 -6.332 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.594 3.417 -4.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 -41.127 4.142 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.551 5.117 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.283 6.018 -5.819 1.00 0.00 H new ATOM 10 N PRO A 2 -37.682 6.498 -5.648 1.00 0.00 N ATOM 11 CA PRO A 2 -36.342 6.799 -5.083 1.00 0.00 C ATOM 12 C PRO A 2 -36.444 7.067 -3.579 1.00 0.00 C ATOM 13 O PRO A 2 -36.455 8.201 -3.141 1.00 0.00 O ATOM 14 CB PRO A 2 -35.913 8.058 -5.831 1.00 0.00 C ATOM 15 CG PRO A 2 -37.188 8.708 -6.264 1.00 0.00 C ATOM 16 CD PRO A 2 -38.201 7.609 -6.457 1.00 0.00 C ATOM 0 HA PRO A 2 -35.634 5.978 -5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -35.332 8.719 -5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -35.285 7.813 -6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -37.531 9.421 -5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -37.042 9.264 -7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -39.192 7.917 -6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -38.291 7.330 -7.507 1.00 0.00 H new ATOM 24 N MET A 3 -36.518 6.031 -2.786 1.00 0.00 N ATOM 25 CA MET A 3 -36.618 6.224 -1.310 1.00 0.00 C ATOM 26 C MET A 3 -35.891 5.094 -0.578 1.00 0.00 C ATOM 27 O MET A 3 -36.442 4.452 0.296 1.00 0.00 O ATOM 28 CB MET A 3 -38.116 6.184 -1.007 1.00 0.00 C ATOM 29 CG MET A 3 -38.370 6.749 0.393 1.00 0.00 C ATOM 30 SD MET A 3 -39.960 7.613 0.419 1.00 0.00 S ATOM 31 CE MET A 3 -41.017 6.144 0.423 1.00 0.00 C ATOM 0 H MET A 3 -36.514 5.060 -3.097 1.00 0.00 H new ATOM 0 HA MET A 3 -36.161 7.158 -0.983 1.00 0.00 H new ATOM 0 HB2 MET A 3 -38.663 6.764 -1.750 1.00 0.00 H new ATOM 0 HB3 MET A 3 -38.483 5.160 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 3 -38.370 5.943 1.127 1.00 0.00 H new ATOM 0 HG3 MET A 3 -37.568 7.433 0.671 1.00 0.00 H new ATOM 0 HE1 MET A 3 -42.059 6.446 0.528 1.00 0.00 H new ATOM 0 HE2 MET A 3 -40.889 5.601 -0.513 1.00 0.00 H new ATOM 0 HE3 MET A 3 -40.740 5.499 1.257 1.00 0.00 H new ATOM 41 N SER A 4 -34.657 4.845 -0.928 1.00 0.00 N ATOM 42 CA SER A 4 -33.892 3.756 -0.253 1.00 0.00 C ATOM 43 C SER A 4 -32.407 4.124 -0.174 1.00 0.00 C ATOM 44 O SER A 4 -31.599 3.656 -0.951 1.00 0.00 O ATOM 45 CB SER A 4 -34.093 2.526 -1.135 1.00 0.00 C ATOM 46 OG SER A 4 -35.460 2.139 -1.096 1.00 0.00 O ATOM 0 H SER A 4 -34.145 5.349 -1.652 1.00 0.00 H new ATOM 0 HA SER A 4 -34.231 3.584 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 4 -33.795 2.746 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 4 -33.461 1.708 -0.788 1.00 0.00 H new ATOM 0 HG SER A 4 -35.593 1.350 -1.663 1.00 0.00 H new ATOM 52 N THR A 5 -32.043 4.961 0.762 1.00 0.00 N ATOM 53 CA THR A 5 -30.610 5.360 0.893 1.00 0.00 C ATOM 54 C THR A 5 -29.783 4.187 1.425 1.00 0.00 C ATOM 55 O THR A 5 -28.621 4.037 1.101 1.00 0.00 O ATOM 56 CB THR A 5 -30.607 6.519 1.892 1.00 0.00 C ATOM 57 OG1 THR A 5 -31.656 7.422 1.570 1.00 0.00 O ATOM 58 CG2 THR A 5 -29.264 7.248 1.826 1.00 0.00 C ATOM 0 H THR A 5 -32.675 5.385 1.441 1.00 0.00 H new ATOM 0 HA THR A 5 -30.173 5.649 -0.063 1.00 0.00 H new ATOM 0 HB THR A 5 -30.758 6.132 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 5 -31.657 8.164 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 5 -29.263 8.073 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 5 -28.461 6.554 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.110 7.637 0.819 1.00 0.00 H new ATOM 66 N THR A 6 -30.375 3.354 2.239 1.00 0.00 N ATOM 67 CA THR A 6 -29.628 2.184 2.791 1.00 0.00 C ATOM 68 C THR A 6 -28.988 1.376 1.656 1.00 0.00 C ATOM 69 O THR A 6 -27.993 0.705 1.845 1.00 0.00 O ATOM 70 CB THR A 6 -30.681 1.346 3.523 1.00 0.00 C ATOM 71 OG1 THR A 6 -30.064 0.185 4.063 1.00 0.00 O ATOM 72 CG2 THR A 6 -31.784 0.933 2.547 1.00 0.00 C ATOM 0 H THR A 6 -31.344 3.433 2.546 1.00 0.00 H new ATOM 0 HA THR A 6 -28.819 2.489 3.455 1.00 0.00 H new ATOM 0 HB THR A 6 -31.119 1.936 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 6 -30.735 -0.353 4.533 1.00 0.00 H new ATOM 0 HG21 THR A 6 -32.530 0.337 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 6 -32.256 1.824 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 6 -31.352 0.343 1.739 1.00 0.00 H new ATOM 80 N GLU A 7 -29.556 1.438 0.481 1.00 0.00 N ATOM 81 CA GLU A 7 -28.986 0.674 -0.668 1.00 0.00 C ATOM 82 C GLU A 7 -27.573 1.170 -0.988 1.00 0.00 C ATOM 83 O GLU A 7 -26.637 0.399 -1.064 1.00 0.00 O ATOM 84 CB GLU A 7 -29.929 0.950 -1.839 1.00 0.00 C ATOM 85 CG GLU A 7 -29.566 0.039 -3.014 1.00 0.00 C ATOM 86 CD GLU A 7 -30.808 -0.207 -3.871 1.00 0.00 C ATOM 87 OE1 GLU A 7 -31.599 -1.058 -3.502 1.00 0.00 O ATOM 88 OE2 GLU A 7 -30.947 0.460 -4.883 1.00 0.00 O ATOM 0 H GLU A 7 -30.390 1.985 0.267 1.00 0.00 H new ATOM 0 HA GLU A 7 -28.906 -0.392 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -30.962 0.777 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -29.856 1.995 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -28.781 0.498 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -29.172 -0.908 -2.645 1.00 0.00 H new ATOM 95 N VAL A 8 -27.413 2.453 -1.179 1.00 0.00 N ATOM 96 CA VAL A 8 -26.061 2.999 -1.496 1.00 0.00 C ATOM 97 C VAL A 8 -25.150 2.914 -0.266 1.00 0.00 C ATOM 98 O VAL A 8 -23.942 2.862 -0.382 1.00 0.00 O ATOM 99 CB VAL A 8 -26.298 4.457 -1.906 1.00 0.00 C ATOM 100 CG1 VAL A 8 -26.990 5.215 -0.770 1.00 0.00 C ATOM 101 CG2 VAL A 8 -24.955 5.124 -2.218 1.00 0.00 C ATOM 0 H VAL A 8 -28.160 3.146 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 8 -25.566 2.437 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 8 -26.934 4.480 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -27.154 6.250 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -27.948 4.745 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -26.361 5.191 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -25.123 6.161 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -24.320 5.094 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -24.466 4.592 -3.034 1.00 0.00 H new ATOM 111 N ARG A 9 -25.719 2.898 0.911 1.00 0.00 N ATOM 112 CA ARG A 9 -24.881 2.816 2.144 1.00 0.00 C ATOM 113 C ARG A 9 -24.292 1.411 2.290 1.00 0.00 C ATOM 114 O ARG A 9 -23.103 1.242 2.478 1.00 0.00 O ATOM 115 CB ARG A 9 -25.839 3.120 3.300 1.00 0.00 C ATOM 116 CG ARG A 9 -25.580 4.534 3.827 1.00 0.00 C ATOM 117 CD ARG A 9 -26.625 5.494 3.257 1.00 0.00 C ATOM 118 NE ARG A 9 -26.559 6.699 4.131 1.00 0.00 N ATOM 119 CZ ARG A 9 -27.490 6.910 5.020 1.00 0.00 C ATOM 120 NH1 ARG A 9 -27.784 5.985 5.891 1.00 0.00 N ATOM 121 NH2 ARG A 9 -28.127 8.050 5.038 1.00 0.00 N ATOM 0 H ARG A 9 -26.725 2.938 1.072 1.00 0.00 H new ATOM 0 HA ARG A 9 -24.042 3.511 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -26.872 3.031 2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -25.701 2.393 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -25.622 4.540 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -24.579 4.861 3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -26.405 5.746 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -27.620 5.049 3.273 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.787 7.358 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -27.286 5.095 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -28.512 6.151 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -27.896 8.774 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -28.855 8.216 5.733 1.00 0.00 H new ATOM 135 N GLU A 10 -25.116 0.400 2.203 1.00 0.00 N ATOM 136 CA GLU A 10 -24.605 -0.995 2.337 1.00 0.00 C ATOM 137 C GLU A 10 -23.813 -1.390 1.087 1.00 0.00 C ATOM 138 O GLU A 10 -22.747 -1.969 1.173 1.00 0.00 O ATOM 139 CB GLU A 10 -25.855 -1.866 2.476 1.00 0.00 C ATOM 140 CG GLU A 10 -26.103 -2.173 3.954 1.00 0.00 C ATOM 141 CD GLU A 10 -27.486 -2.807 4.119 1.00 0.00 C ATOM 142 OE1 GLU A 10 -28.464 -2.118 3.882 1.00 0.00 O ATOM 143 OE2 GLU A 10 -27.543 -3.971 4.480 1.00 0.00 O ATOM 0 H GLU A 10 -26.120 0.480 2.045 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.934 -1.108 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.718 -1.353 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.729 -2.793 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.335 -2.848 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.038 -1.258 4.542 1.00 0.00 H new ATOM 150 N ARG A 11 -24.326 -1.079 -0.074 1.00 0.00 N ATOM 151 CA ARG A 11 -23.603 -1.435 -1.331 1.00 0.00 C ATOM 152 C ARG A 11 -22.240 -0.740 -1.370 1.00 0.00 C ATOM 153 O ARG A 11 -21.269 -1.284 -1.861 1.00 0.00 O ATOM 154 CB ARG A 11 -24.497 -0.928 -2.464 1.00 0.00 C ATOM 155 CG ARG A 11 -24.084 -1.595 -3.780 1.00 0.00 C ATOM 156 CD ARG A 11 -25.327 -2.108 -4.509 1.00 0.00 C ATOM 157 NE ARG A 11 -25.648 -1.053 -5.511 1.00 0.00 N ATOM 158 CZ ARG A 11 -26.157 -1.384 -6.665 1.00 0.00 C ATOM 159 NH1 ARG A 11 -27.364 -1.880 -6.729 1.00 0.00 N ATOM 160 NH2 ARG A 11 -25.463 -1.219 -7.757 1.00 0.00 N ATOM 0 H ARG A 11 -25.214 -0.594 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 11 -23.417 -2.506 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -25.541 -1.150 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -24.412 0.155 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -23.550 -0.882 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -23.400 -2.420 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -25.134 -3.066 -4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -26.155 -2.261 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 11 -25.470 -0.072 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -27.908 -2.008 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -27.762 -2.139 -7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -24.521 -0.831 -7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -25.862 -1.478 -8.659 1.00 0.00 H new ATOM 174 N ARG A 12 -22.159 0.458 -0.855 1.00 0.00 N ATOM 175 CA ARG A 12 -20.858 1.189 -0.861 1.00 0.00 C ATOM 176 C ARG A 12 -19.920 0.603 0.198 1.00 0.00 C ATOM 177 O ARG A 12 -18.714 0.617 0.046 1.00 0.00 O ATOM 178 CB ARG A 12 -21.211 2.638 -0.525 1.00 0.00 C ATOM 179 CG ARG A 12 -19.941 3.491 -0.540 1.00 0.00 C ATOM 180 CD ARG A 12 -19.470 3.683 -1.984 1.00 0.00 C ATOM 181 NE ARG A 12 -18.488 4.800 -1.923 1.00 0.00 N ATOM 182 CZ ARG A 12 -17.286 4.586 -1.462 1.00 0.00 C ATOM 183 NH1 ARG A 12 -16.576 3.595 -1.928 1.00 0.00 N ATOM 184 NH2 ARG A 12 -16.794 5.364 -0.538 1.00 0.00 N ATOM 0 H ARG A 12 -22.937 0.962 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 12 -20.345 1.110 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -21.930 3.025 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -21.685 2.690 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -20.135 4.459 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -19.160 3.009 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -19.011 2.774 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -20.304 3.926 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.754 5.732 -2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.961 2.988 -2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.636 3.427 -1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.349 6.140 -0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.855 5.197 -0.178 1.00 0.00 H new ATOM 198 N ARG A 13 -20.464 0.087 1.268 1.00 0.00 N ATOM 199 CA ARG A 13 -19.603 -0.501 2.337 1.00 0.00 C ATOM 200 C ARG A 13 -18.939 -1.786 1.834 1.00 0.00 C ATOM 201 O ARG A 13 -17.829 -2.110 2.205 1.00 0.00 O ATOM 202 CB ARG A 13 -20.556 -0.809 3.494 1.00 0.00 C ATOM 203 CG ARG A 13 -19.868 -0.492 4.825 1.00 0.00 C ATOM 204 CD ARG A 13 -20.449 0.798 5.412 1.00 0.00 C ATOM 205 NE ARG A 13 -19.486 1.865 5.023 1.00 0.00 N ATOM 206 CZ ARG A 13 -19.815 2.743 4.116 1.00 0.00 C ATOM 207 NH1 ARG A 13 -20.858 3.506 4.294 1.00 0.00 N ATOM 208 NH2 ARG A 13 -19.101 2.859 3.030 1.00 0.00 N ATOM 0 H ARG A 13 -21.467 0.047 1.449 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.803 0.175 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.467 -0.219 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.851 -1.858 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -20.009 -1.317 5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.794 -0.383 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -21.444 1.000 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -20.547 0.730 6.495 1.00 0.00 H new ATOM 0 HE ARG A 13 -18.568 1.909 5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -21.417 3.416 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -21.115 4.192 3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.285 2.263 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.359 3.546 2.321 1.00 0.00 H new ATOM 222 N SER A 14 -19.615 -2.518 0.987 1.00 0.00 N ATOM 223 CA SER A 14 -19.030 -3.786 0.453 1.00 0.00 C ATOM 224 C SER A 14 -17.715 -3.499 -0.275 1.00 0.00 C ATOM 225 O SER A 14 -16.837 -4.337 -0.332 1.00 0.00 O ATOM 226 CB SER A 14 -20.063 -4.348 -0.525 1.00 0.00 C ATOM 227 OG SER A 14 -21.256 -3.574 -0.466 1.00 0.00 O ATOM 0 H SER A 14 -20.548 -2.293 0.641 1.00 0.00 H new ATOM 0 HA SER A 14 -18.811 -4.492 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.661 -4.337 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.281 -5.388 -0.280 1.00 0.00 H new ATOM 0 HG SER A 14 -21.283 -2.956 -1.226 1.00 0.00 H new ATOM 233 N TYR A 15 -17.580 -2.325 -0.843 1.00 0.00 N ATOM 234 CA TYR A 15 -16.326 -1.975 -1.584 1.00 0.00 C ATOM 235 C TYR A 15 -15.084 -2.469 -0.825 1.00 0.00 C ATOM 236 O TYR A 15 -14.063 -2.763 -1.416 1.00 0.00 O ATOM 237 CB TYR A 15 -16.348 -0.441 -1.696 1.00 0.00 C ATOM 238 CG TYR A 15 -15.599 0.194 -0.543 1.00 0.00 C ATOM 239 CD1 TYR A 15 -16.099 0.096 0.761 1.00 0.00 C ATOM 240 CD2 TYR A 15 -14.405 0.885 -0.783 1.00 0.00 C ATOM 241 CE1 TYR A 15 -15.404 0.687 1.824 1.00 0.00 C ATOM 242 CE2 TYR A 15 -13.710 1.475 0.279 1.00 0.00 C ATOM 243 CZ TYR A 15 -14.211 1.376 1.583 1.00 0.00 C ATOM 244 OH TYR A 15 -13.526 1.958 2.630 1.00 0.00 O ATOM 0 H TYR A 15 -18.287 -1.590 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 15 -16.280 -2.449 -2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -15.898 -0.134 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.379 -0.087 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -17.021 -0.435 0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.020 0.963 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -15.790 0.611 2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -12.788 2.006 0.093 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.718 2.395 2.289 1.00 0.00 H new ATOM 254 N LEU A 16 -15.170 -2.573 0.475 1.00 0.00 N ATOM 255 CA LEU A 16 -14.003 -3.059 1.262 1.00 0.00 C ATOM 256 C LEU A 16 -14.465 -4.001 2.366 1.00 0.00 C ATOM 257 O LEU A 16 -13.952 -3.981 3.467 1.00 0.00 O ATOM 258 CB LEU A 16 -13.364 -1.807 1.856 1.00 0.00 C ATOM 259 CG LEU A 16 -12.000 -2.160 2.462 1.00 0.00 C ATOM 260 CD1 LEU A 16 -11.086 -2.741 1.379 1.00 0.00 C ATOM 261 CD2 LEU A 16 -11.361 -0.899 3.043 1.00 0.00 C ATOM 0 H LEU A 16 -15.998 -2.342 1.024 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.298 -3.616 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.244 -1.047 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.014 -1.384 2.622 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.137 -2.899 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.118 -2.990 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.540 -3.641 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.948 -2.006 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.391 -1.148 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.228 -0.161 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.008 -0.487 3.818 1.00 0.00 H new ATOM 273 N THR A 17 -15.424 -4.839 2.081 1.00 0.00 N ATOM 274 CA THR A 17 -15.900 -5.793 3.122 1.00 0.00 C ATOM 275 C THR A 17 -14.707 -6.578 3.686 1.00 0.00 C ATOM 276 O THR A 17 -14.570 -6.714 4.885 1.00 0.00 O ATOM 277 CB THR A 17 -16.887 -6.735 2.421 1.00 0.00 C ATOM 278 OG1 THR A 17 -17.367 -6.130 1.229 1.00 0.00 O ATOM 279 CG2 THR A 17 -18.063 -7.028 3.353 1.00 0.00 C ATOM 0 H THR A 17 -15.896 -4.904 1.179 1.00 0.00 H new ATOM 0 HA THR A 17 -16.379 -5.280 3.956 1.00 0.00 H new ATOM 0 HB THR A 17 -16.378 -7.666 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 17 -17.996 -6.736 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 17 -18.764 -7.697 2.855 1.00 0.00 H new ATOM 0 HG22 THR A 17 -17.696 -7.500 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 17 -18.568 -6.096 3.605 1.00 0.00 H new ATOM 287 N PRO A 18 -13.863 -7.053 2.798 1.00 0.00 N ATOM 288 CA PRO A 18 -12.667 -7.802 3.215 1.00 0.00 C ATOM 289 C PRO A 18 -11.519 -6.822 3.421 1.00 0.00 C ATOM 290 O PRO A 18 -10.797 -6.494 2.499 1.00 0.00 O ATOM 291 CB PRO A 18 -12.391 -8.714 2.028 1.00 0.00 C ATOM 292 CG PRO A 18 -12.999 -8.027 0.838 1.00 0.00 C ATOM 293 CD PRO A 18 -13.936 -6.949 1.340 1.00 0.00 C ATOM 0 HA PRO A 18 -12.789 -8.357 4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.320 -8.863 1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.833 -9.699 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.220 -7.592 0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.541 -8.744 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.627 -5.962 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.953 -7.108 0.981 1.00 0.00 H new ATOM 301 N VAL A 19 -11.356 -6.333 4.616 1.00 0.00 N ATOM 302 CA VAL A 19 -10.266 -5.351 4.869 1.00 0.00 C ATOM 303 C VAL A 19 -8.897 -6.026 4.815 1.00 0.00 C ATOM 304 O VAL A 19 -7.871 -5.375 4.855 1.00 0.00 O ATOM 305 CB VAL A 19 -10.540 -4.798 6.266 1.00 0.00 C ATOM 306 CG1 VAL A 19 -9.493 -3.738 6.613 1.00 0.00 C ATOM 307 CG2 VAL A 19 -11.934 -4.166 6.304 1.00 0.00 C ATOM 0 H VAL A 19 -11.928 -6.569 5.427 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.250 -4.565 4.114 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.489 -5.611 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.690 -3.345 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.500 -4.186 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.542 -2.927 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.128 -3.772 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.986 -3.355 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.682 -4.920 6.060 1.00 0.00 H new ATOM 317 N ARG A 20 -8.877 -7.322 4.722 1.00 0.00 N ATOM 318 CA ARG A 20 -7.580 -8.064 4.657 1.00 0.00 C ATOM 319 C ARG A 20 -6.637 -7.411 3.637 1.00 0.00 C ATOM 320 O ARG A 20 -5.430 -7.465 3.770 1.00 0.00 O ATOM 321 CB ARG A 20 -7.954 -9.479 4.206 1.00 0.00 C ATOM 322 CG ARG A 20 -8.890 -9.403 2.995 1.00 0.00 C ATOM 323 CD ARG A 20 -8.848 -10.728 2.230 1.00 0.00 C ATOM 324 NE ARG A 20 -9.468 -10.431 0.908 1.00 0.00 N ATOM 325 CZ ARG A 20 -9.488 -11.345 -0.023 1.00 0.00 C ATOM 326 NH1 ARG A 20 -9.827 -12.570 0.272 1.00 0.00 N ATOM 327 NH2 ARG A 20 -9.170 -11.033 -1.250 1.00 0.00 N ATOM 0 H ARG A 20 -9.709 -7.910 4.687 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.060 -8.061 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.055 -10.039 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.441 -10.015 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.908 -9.192 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.590 -8.584 2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.824 -11.085 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.399 -11.506 2.758 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.877 -9.513 0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.076 -12.813 1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.843 -13.284 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.906 -10.075 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.185 -11.747 -1.978 1.00 0.00 H new ATOM 341 N ASP A 21 -7.181 -6.785 2.625 1.00 0.00 N ATOM 342 CA ASP A 21 -6.317 -6.123 1.605 1.00 0.00 C ATOM 343 C ASP A 21 -5.772 -4.816 2.164 1.00 0.00 C ATOM 344 O ASP A 21 -4.674 -4.396 1.856 1.00 0.00 O ATOM 345 CB ASP A 21 -7.230 -5.864 0.407 1.00 0.00 C ATOM 346 CG ASP A 21 -6.381 -5.699 -0.855 1.00 0.00 C ATOM 347 OD1 ASP A 21 -5.696 -6.643 -1.214 1.00 0.00 O ATOM 348 OD2 ASP A 21 -6.430 -4.630 -1.443 1.00 0.00 O ATOM 0 H ASP A 21 -8.185 -6.704 2.462 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.459 -6.735 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.928 -6.692 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.826 -4.967 0.577 1.00 0.00 H new ATOM 353 N GLU A 22 -6.540 -4.184 2.991 1.00 0.00 N ATOM 354 CA GLU A 22 -6.103 -2.904 3.603 1.00 0.00 C ATOM 355 C GLU A 22 -4.982 -3.170 4.607 1.00 0.00 C ATOM 356 O GLU A 22 -4.106 -2.352 4.809 1.00 0.00 O ATOM 357 CB GLU A 22 -7.342 -2.353 4.310 1.00 0.00 C ATOM 358 CG GLU A 22 -7.202 -0.839 4.487 1.00 0.00 C ATOM 359 CD GLU A 22 -6.750 -0.529 5.916 1.00 0.00 C ATOM 360 OE1 GLU A 22 -5.955 -1.290 6.443 1.00 0.00 O ATOM 361 OE2 GLU A 22 -7.208 0.462 6.459 1.00 0.00 O ATOM 0 H GLU A 22 -7.467 -4.501 3.276 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.716 -2.200 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.236 -2.580 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.463 -2.833 5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.479 -0.444 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.154 -0.349 4.281 1.00 0.00 H new ATOM 368 N GLU A 23 -5.002 -4.316 5.235 1.00 0.00 N ATOM 369 CA GLU A 23 -3.937 -4.648 6.225 1.00 0.00 C ATOM 370 C GLU A 23 -2.634 -4.983 5.496 1.00 0.00 C ATOM 371 O GLU A 23 -1.569 -4.527 5.863 1.00 0.00 O ATOM 372 CB GLU A 23 -4.460 -5.869 6.981 1.00 0.00 C ATOM 373 CG GLU A 23 -5.653 -5.463 7.847 1.00 0.00 C ATOM 374 CD GLU A 23 -6.075 -6.644 8.724 1.00 0.00 C ATOM 375 OE1 GLU A 23 -6.381 -7.688 8.170 1.00 0.00 O ATOM 376 OE2 GLU A 23 -6.084 -6.486 9.933 1.00 0.00 O ATOM 0 H GLU A 23 -5.711 -5.037 5.104 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.723 -3.818 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.757 -6.646 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.671 -6.289 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.389 -4.609 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.484 -5.151 7.215 1.00 0.00 H new ATOM 383 N SER A 24 -2.713 -5.778 4.461 1.00 0.00 N ATOM 384 CA SER A 24 -1.480 -6.142 3.702 1.00 0.00 C ATOM 385 C SER A 24 -0.863 -4.889 3.073 1.00 0.00 C ATOM 386 O SER A 24 0.340 -4.779 2.941 1.00 0.00 O ATOM 387 CB SER A 24 -1.951 -7.110 2.617 1.00 0.00 C ATOM 388 OG SER A 24 -2.807 -6.423 1.714 1.00 0.00 O ATOM 0 H SER A 24 -3.577 -6.190 4.109 1.00 0.00 H new ATOM 0 HA SER A 24 -0.718 -6.589 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.094 -7.520 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.478 -7.951 3.068 1.00 0.00 H new ATOM 0 HG SER A 24 -3.348 -5.772 2.208 1.00 0.00 H new ATOM 394 N GLU A 25 -1.679 -3.945 2.688 1.00 0.00 N ATOM 395 CA GLU A 25 -1.143 -2.697 2.070 1.00 0.00 C ATOM 396 C GLU A 25 -0.379 -1.881 3.116 1.00 0.00 C ATOM 397 O GLU A 25 0.728 -1.435 2.881 1.00 0.00 O ATOM 398 CB GLU A 25 -2.376 -1.929 1.587 1.00 0.00 C ATOM 399 CG GLU A 25 -2.617 -2.231 0.106 1.00 0.00 C ATOM 400 CD GLU A 25 -4.117 -2.164 -0.190 1.00 0.00 C ATOM 401 OE1 GLU A 25 -4.783 -1.338 0.409 1.00 0.00 O ATOM 402 OE2 GLU A 25 -4.573 -2.943 -1.011 1.00 0.00 O ATOM 0 H GLU A 25 -2.695 -3.984 2.775 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.449 -2.904 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.249 -2.215 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.231 -0.858 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.080 -1.513 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.230 -3.219 -0.142 1.00 0.00 H new ATOM 409 N SER A 26 -0.961 -1.683 4.269 1.00 0.00 N ATOM 410 CA SER A 26 -0.268 -0.898 5.332 1.00 0.00 C ATOM 411 C SER A 26 0.905 -1.703 5.898 1.00 0.00 C ATOM 412 O SER A 26 1.942 -1.160 6.224 1.00 0.00 O ATOM 413 CB SER A 26 -1.327 -0.664 6.410 1.00 0.00 C ATOM 414 OG SER A 26 -0.789 0.176 7.422 1.00 0.00 O ATOM 0 H SER A 26 -1.886 -2.031 4.521 1.00 0.00 H new ATOM 0 HA SER A 26 0.140 0.040 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.213 -0.204 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.641 -1.615 6.840 1.00 0.00 H new ATOM 0 HG SER A 26 -1.466 0.329 8.114 1.00 0.00 H new ATOM 420 N GLN A 27 0.747 -2.995 6.013 1.00 0.00 N ATOM 421 CA GLN A 27 1.853 -3.839 6.554 1.00 0.00 C ATOM 422 C GLN A 27 3.001 -3.911 5.545 1.00 0.00 C ATOM 423 O GLN A 27 4.160 -3.929 5.909 1.00 0.00 O ATOM 424 CB GLN A 27 1.233 -5.222 6.762 1.00 0.00 C ATOM 425 CG GLN A 27 2.136 -6.054 7.674 1.00 0.00 C ATOM 426 CD GLN A 27 1.276 -6.993 8.523 1.00 0.00 C ATOM 427 OE1 GLN A 27 1.507 -7.142 9.707 1.00 0.00 O ATOM 428 NE2 GLN A 27 0.288 -7.638 7.965 1.00 0.00 N ATOM 0 H GLN A 27 -0.100 -3.502 5.756 1.00 0.00 H new ATOM 0 HA GLN A 27 2.266 -3.436 7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.242 -5.125 7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.106 -5.723 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.842 -6.631 7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.723 -5.399 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.094 -7.513 6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.290 -8.267 8.522 1.00 0.00 H new ATOM 437 N ARG A 28 2.686 -3.949 4.277 1.00 0.00 N ATOM 438 CA ARG A 28 3.758 -4.017 3.241 1.00 0.00 C ATOM 439 C ARG A 28 4.525 -2.693 3.190 1.00 0.00 C ATOM 440 O ARG A 28 5.733 -2.669 3.063 1.00 0.00 O ATOM 441 CB ARG A 28 3.023 -4.262 1.921 1.00 0.00 C ATOM 442 CG ARG A 28 4.041 -4.440 0.794 1.00 0.00 C ATOM 443 CD ARG A 28 3.470 -5.385 -0.267 1.00 0.00 C ATOM 444 NE ARG A 28 2.586 -4.529 -1.106 1.00 0.00 N ATOM 445 CZ ARG A 28 1.333 -4.853 -1.273 1.00 0.00 C ATOM 446 NH1 ARG A 28 0.483 -4.703 -0.294 1.00 0.00 N ATOM 447 NH2 ARG A 28 0.930 -5.328 -2.419 1.00 0.00 N ATOM 0 H ARG A 28 1.733 -3.936 3.914 1.00 0.00 H new ATOM 0 HA ARG A 28 4.486 -4.800 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.395 -5.150 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.363 -3.424 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.277 -3.474 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.972 -4.843 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.264 -5.836 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.911 -6.201 0.191 1.00 0.00 H new ATOM 0 HE ARG A 28 2.960 -3.690 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.798 -4.332 0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.496 -4.956 -0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.594 -5.446 -3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.049 -5.581 -2.550 1.00 0.00 H new ATOM 461 N LYS A 29 3.829 -1.591 3.290 1.00 0.00 N ATOM 462 CA LYS A 29 4.516 -0.266 3.251 1.00 0.00 C ATOM 463 C LYS A 29 5.486 -0.142 4.429 1.00 0.00 C ATOM 464 O LYS A 29 6.604 0.310 4.279 1.00 0.00 O ATOM 465 CB LYS A 29 3.395 0.768 3.367 1.00 0.00 C ATOM 466 CG LYS A 29 3.889 2.123 2.853 1.00 0.00 C ATOM 467 CD LYS A 29 4.183 3.046 4.038 1.00 0.00 C ATOM 468 CE LYS A 29 5.360 3.961 3.693 1.00 0.00 C ATOM 469 NZ LYS A 29 5.672 4.680 4.961 1.00 0.00 N ATOM 0 H LYS A 29 2.815 -1.551 3.397 1.00 0.00 H new ATOM 0 HA LYS A 29 5.100 -0.130 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.527 0.444 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.075 0.857 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.788 1.989 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.137 2.574 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.302 3.643 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.416 2.455 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.218 3.386 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.098 4.659 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.470 5.328 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.839 5.223 5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.924 3.991 5.698 1.00 0.00 H new ATOM 483 N ALA A 30 5.066 -0.543 5.599 1.00 0.00 N ATOM 484 CA ALA A 30 5.963 -0.453 6.789 1.00 0.00 C ATOM 485 C ALA A 30 7.086 -1.487 6.678 1.00 0.00 C ATOM 486 O ALA A 30 8.200 -1.257 7.108 1.00 0.00 O ATOM 487 CB ALA A 30 5.067 -0.761 7.988 1.00 0.00 C ATOM 0 H ALA A 30 4.140 -0.929 5.783 1.00 0.00 H new ATOM 0 HA ALA A 30 6.436 0.525 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.656 -0.714 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.261 -0.029 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.644 -1.760 7.879 1.00 0.00 H new ATOM 493 N ARG A 31 6.801 -2.624 6.102 1.00 0.00 N ATOM 494 CA ARG A 31 7.851 -3.675 5.959 1.00 0.00 C ATOM 495 C ARG A 31 8.878 -3.253 4.906 1.00 0.00 C ATOM 496 O ARG A 31 10.066 -3.458 5.066 1.00 0.00 O ATOM 497 CB ARG A 31 7.101 -4.927 5.504 1.00 0.00 C ATOM 498 CG ARG A 31 7.999 -6.153 5.678 1.00 0.00 C ATOM 499 CD ARG A 31 7.437 -7.320 4.863 1.00 0.00 C ATOM 500 NE ARG A 31 8.632 -8.090 4.419 1.00 0.00 N ATOM 501 CZ ARG A 31 8.915 -9.233 4.981 1.00 0.00 C ATOM 502 NH1 ARG A 31 9.355 -9.266 6.210 1.00 0.00 N ATOM 503 NH2 ARG A 31 8.762 -10.344 4.314 1.00 0.00 N ATOM 0 H ARG A 31 5.886 -2.871 5.724 1.00 0.00 H new ATOM 0 HA ARG A 31 8.397 -3.843 6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.187 -5.047 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.804 -4.826 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.013 -5.923 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.058 -6.427 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.771 -7.938 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.858 -6.964 4.011 1.00 0.00 H new ATOM 0 HE ARG A 31 9.228 -7.724 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.478 -8.398 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.576 -10.160 6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.421 -10.319 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.983 -11.237 4.754 1.00 0.00 H new ATOM 517 N SER A 32 8.429 -2.664 3.829 1.00 0.00 N ATOM 518 CA SER A 32 9.379 -2.226 2.764 1.00 0.00 C ATOM 519 C SER A 32 10.343 -1.175 3.319 1.00 0.00 C ATOM 520 O SER A 32 11.542 -1.259 3.133 1.00 0.00 O ATOM 521 CB SER A 32 8.500 -1.623 1.669 1.00 0.00 C ATOM 522 OG SER A 32 8.255 -2.605 0.670 1.00 0.00 O ATOM 0 H SER A 32 7.446 -2.467 3.641 1.00 0.00 H new ATOM 0 HA SER A 32 9.987 -3.049 2.388 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.558 -1.276 2.093 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.991 -0.755 1.229 1.00 0.00 H new ATOM 0 HG SER A 32 7.690 -2.222 -0.033 1.00 0.00 H new ATOM 528 N ARG A 33 9.829 -0.186 4.001 1.00 0.00 N ATOM 529 CA ARG A 33 10.715 0.871 4.571 1.00 0.00 C ATOM 530 C ARG A 33 11.669 0.256 5.600 1.00 0.00 C ATOM 531 O ARG A 33 12.844 0.566 5.632 1.00 0.00 O ATOM 532 CB ARG A 33 9.769 1.866 5.244 1.00 0.00 C ATOM 533 CG ARG A 33 9.543 3.064 4.319 1.00 0.00 C ATOM 534 CD ARG A 33 10.795 3.945 4.304 1.00 0.00 C ATOM 535 NE ARG A 33 10.296 5.327 4.545 1.00 0.00 N ATOM 536 CZ ARG A 33 10.825 6.056 5.489 1.00 0.00 C ATOM 537 NH1 ARG A 33 12.121 6.202 5.554 1.00 0.00 N ATOM 538 NH2 ARG A 33 10.059 6.641 6.370 1.00 0.00 N ATOM 0 H ARG A 33 8.834 -0.064 4.188 1.00 0.00 H new ATOM 0 HA ARG A 33 11.330 1.350 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.818 1.384 5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.190 2.200 6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.316 2.719 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.684 3.642 4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.501 3.640 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.316 3.874 3.349 1.00 0.00 H new ATOM 0 HE ARG A 33 9.541 5.704 3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.721 5.746 4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.534 6.772 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.046 6.528 6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.473 7.211 7.108 1.00 0.00 H new ATOM 552 N GLN A 34 11.169 -0.613 6.438 1.00 0.00 N ATOM 553 CA GLN A 34 12.045 -1.251 7.465 1.00 0.00 C ATOM 554 C GLN A 34 13.137 -2.080 6.783 1.00 0.00 C ATOM 555 O GLN A 34 14.284 -2.064 7.185 1.00 0.00 O ATOM 556 CB GLN A 34 11.115 -2.153 8.277 1.00 0.00 C ATOM 557 CG GLN A 34 11.621 -2.244 9.719 1.00 0.00 C ATOM 558 CD GLN A 34 12.577 -3.430 9.853 1.00 0.00 C ATOM 559 OE1 GLN A 34 12.556 -4.339 9.047 1.00 0.00 O ATOM 560 NE2 GLN A 34 13.423 -3.461 10.847 1.00 0.00 N ATOM 0 H GLN A 34 10.193 -0.909 6.456 1.00 0.00 H new ATOM 0 HA GLN A 34 12.548 -0.516 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.100 -1.755 8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.075 -3.147 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.130 -1.321 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.781 -2.362 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.442 -2.699 11.525 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.065 -4.247 10.946 1.00 0.00 H new ATOM 569 N ALA A 35 12.787 -2.802 5.753 1.00 0.00 N ATOM 570 CA ALA A 35 13.802 -3.632 5.041 1.00 0.00 C ATOM 571 C ALA A 35 14.797 -2.731 4.304 1.00 0.00 C ATOM 572 O ALA A 35 15.973 -3.026 4.220 1.00 0.00 O ATOM 573 CB ALA A 35 13.002 -4.475 4.046 1.00 0.00 C ATOM 0 H ALA A 35 11.842 -2.853 5.373 1.00 0.00 H new ATOM 0 HA ALA A 35 14.381 -4.253 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.681 -5.114 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.286 -5.094 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.468 -3.818 3.359 1.00 0.00 H new ATOM 579 N ARG A 36 14.332 -1.632 3.770 1.00 0.00 N ATOM 580 CA ARG A 36 15.249 -0.710 3.038 1.00 0.00 C ATOM 581 C ARG A 36 16.246 -0.076 4.012 1.00 0.00 C ATOM 582 O ARG A 36 17.405 0.110 3.694 1.00 0.00 O ATOM 583 CB ARG A 36 14.338 0.359 2.432 1.00 0.00 C ATOM 584 CG ARG A 36 15.088 1.100 1.323 1.00 0.00 C ATOM 585 CD ARG A 36 14.084 1.659 0.311 1.00 0.00 C ATOM 586 NE ARG A 36 14.685 2.937 -0.160 1.00 0.00 N ATOM 587 CZ ARG A 36 13.925 3.868 -0.666 1.00 0.00 C ATOM 588 NH1 ARG A 36 13.251 4.660 0.123 1.00 0.00 N ATOM 589 NH2 ARG A 36 13.837 4.007 -1.961 1.00 0.00 N ATOM 0 H ARG A 36 13.357 -1.333 3.809 1.00 0.00 H new ATOM 0 HA ARG A 36 15.832 -1.227 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.436 -0.102 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.021 1.061 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.680 1.910 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.783 0.424 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.930 0.966 -0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.110 1.827 0.772 1.00 0.00 H new ATOM 0 HE ARG A 36 15.692 3.084 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.319 4.550 1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.656 5.388 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.363 3.387 -2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.242 4.735 -2.357 1.00 0.00 H new ATOM 603 N GLN A 37 15.804 0.255 5.196 1.00 0.00 N ATOM 604 CA GLN A 37 16.727 0.876 6.193 1.00 0.00 C ATOM 605 C GLN A 37 17.690 -0.180 6.745 1.00 0.00 C ATOM 606 O GLN A 37 18.822 0.113 7.077 1.00 0.00 O ATOM 607 CB GLN A 37 15.818 1.409 7.305 1.00 0.00 C ATOM 608 CG GLN A 37 15.954 2.930 7.395 1.00 0.00 C ATOM 609 CD GLN A 37 15.336 3.574 6.152 1.00 0.00 C ATOM 610 OE1 GLN A 37 15.989 4.324 5.454 1.00 0.00 O ATOM 611 NE2 GLN A 37 14.095 3.310 5.844 1.00 0.00 N ATOM 0 H GLN A 37 14.845 0.123 5.517 1.00 0.00 H new ATOM 0 HA GLN A 37 17.336 1.667 5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.782 1.138 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.087 0.953 8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.457 3.297 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.005 3.207 7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.547 2.680 6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.674 3.733 5.017 1.00 0.00 H new ATOM 620 N SER A 38 17.247 -1.405 6.844 1.00 0.00 N ATOM 621 CA SER A 38 18.136 -2.481 7.373 1.00 0.00 C ATOM 622 C SER A 38 19.227 -2.814 6.351 1.00 0.00 C ATOM 623 O SER A 38 20.368 -3.045 6.702 1.00 0.00 O ATOM 624 CB SER A 38 17.219 -3.684 7.588 1.00 0.00 C ATOM 625 OG SER A 38 16.726 -4.130 6.331 1.00 0.00 O ATOM 0 H SER A 38 16.309 -1.707 6.582 1.00 0.00 H new ATOM 0 HA SER A 38 18.641 -2.185 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.764 -4.487 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.390 -3.412 8.241 1.00 0.00 H new ATOM 0 HG SER A 38 16.556 -3.357 5.753 1.00 0.00 H new ATOM 631 N ARG A 39 18.883 -2.840 5.092 1.00 0.00 N ATOM 632 CA ARG A 39 19.900 -3.158 4.045 1.00 0.00 C ATOM 633 C ARG A 39 20.912 -2.015 3.931 1.00 0.00 C ATOM 634 O ARG A 39 22.090 -2.234 3.725 1.00 0.00 O ATOM 635 CB ARG A 39 19.104 -3.301 2.747 1.00 0.00 C ATOM 636 CG ARG A 39 18.857 -4.784 2.461 1.00 0.00 C ATOM 637 CD ARG A 39 17.519 -4.949 1.736 1.00 0.00 C ATOM 638 NE ARG A 39 17.837 -4.747 0.295 1.00 0.00 N ATOM 639 CZ ARG A 39 17.019 -4.071 -0.465 1.00 0.00 C ATOM 640 NH1 ARG A 39 15.848 -4.562 -0.763 1.00 0.00 N ATOM 641 NH2 ARG A 39 17.373 -2.902 -0.926 1.00 0.00 N ATOM 0 H ARG A 39 17.943 -2.655 4.742 1.00 0.00 H new ATOM 0 HA ARG A 39 20.464 -4.062 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.154 -2.773 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 39 19.650 -2.846 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.665 -5.187 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 39 18.849 -5.349 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 39 17.093 -5.937 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.788 -4.220 2.085 1.00 0.00 H new ATOM 0 HE ARG A 39 18.694 -5.137 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.571 -5.475 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.209 -4.033 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.288 -2.517 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.734 -2.373 -1.520 1.00 0.00 H new ATOM 655 N ARG A 40 20.462 -0.795 4.065 1.00 0.00 N ATOM 656 CA ARG A 40 21.397 0.362 3.966 1.00 0.00 C ATOM 657 C ARG A 40 22.322 0.396 5.187 1.00 0.00 C ATOM 658 O ARG A 40 23.489 0.724 5.085 1.00 0.00 O ATOM 659 CB ARG A 40 20.500 1.604 3.935 1.00 0.00 C ATOM 660 CG ARG A 40 20.884 2.486 2.744 1.00 0.00 C ATOM 661 CD ARG A 40 20.832 3.959 3.158 1.00 0.00 C ATOM 662 NE ARG A 40 22.008 4.588 2.495 1.00 0.00 N ATOM 663 CZ ARG A 40 22.049 5.881 2.330 1.00 0.00 C ATOM 664 NH1 ARG A 40 21.546 6.420 1.252 1.00 0.00 N ATOM 665 NH2 ARG A 40 22.593 6.639 3.243 1.00 0.00 N ATOM 0 H ARG A 40 19.487 -0.551 4.239 1.00 0.00 H new ATOM 0 HA ARG A 40 22.034 0.303 3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 40 19.454 1.308 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 40 20.605 2.164 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 40 21.885 2.230 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.203 2.307 1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.901 4.426 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 40 20.886 4.067 4.241 1.00 0.00 H new ATOM 0 HE ARG A 40 22.781 4.008 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 40 21.120 5.829 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.579 7.431 1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 40 22.986 6.220 4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 40 22.625 7.650 3.114 1.00 0.00 H new ATOM 679 N SER A 41 21.809 0.057 6.339 1.00 0.00 N ATOM 680 CA SER A 41 22.657 0.066 7.568 1.00 0.00 C ATOM 681 C SER A 41 23.797 -0.944 7.426 1.00 0.00 C ATOM 682 O SER A 41 24.959 -0.598 7.500 1.00 0.00 O ATOM 683 CB SER A 41 21.719 -0.349 8.699 1.00 0.00 C ATOM 684 OG SER A 41 21.313 0.806 9.420 1.00 0.00 O ATOM 0 H SER A 41 20.840 -0.226 6.483 1.00 0.00 H new ATOM 0 HA SER A 41 23.111 1.040 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 41 20.848 -0.864 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.222 -1.050 9.365 1.00 0.00 H new ATOM 0 HG SER A 41 20.709 0.543 10.146 1.00 0.00 H new ATOM 690 N THR A 42 23.470 -2.192 7.213 1.00 0.00 N ATOM 691 CA THR A 42 24.533 -3.228 7.054 1.00 0.00 C ATOM 692 C THR A 42 25.449 -2.852 5.889 1.00 0.00 C ATOM 693 O THR A 42 26.612 -3.202 5.859 1.00 0.00 O ATOM 694 CB THR A 42 23.782 -4.527 6.751 1.00 0.00 C ATOM 695 OG1 THR A 42 22.741 -4.265 5.822 1.00 0.00 O ATOM 696 CG2 THR A 42 23.187 -5.088 8.044 1.00 0.00 C ATOM 0 H THR A 42 22.513 -2.538 7.142 1.00 0.00 H new ATOM 0 HA THR A 42 25.160 -3.323 7.941 1.00 0.00 H new ATOM 0 HB THR A 42 24.472 -5.256 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 42 21.938 -3.976 6.304 1.00 0.00 H new ATOM 0 HG21 THR A 42 22.652 -6.013 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 42 23.988 -5.290 8.755 1.00 0.00 H new ATOM 0 HG23 THR A 42 22.496 -4.361 8.472 1.00 0.00 H new ATOM 704 N GLN A 43 24.924 -2.130 4.930 1.00 0.00 N ATOM 705 CA GLN A 43 25.741 -1.709 3.751 1.00 0.00 C ATOM 706 C GLN A 43 26.237 -2.937 2.977 1.00 0.00 C ATOM 707 O GLN A 43 25.676 -3.307 1.964 1.00 0.00 O ATOM 708 CB GLN A 43 26.920 -0.910 4.324 1.00 0.00 C ATOM 709 CG GLN A 43 26.803 0.555 3.898 1.00 0.00 C ATOM 710 CD GLN A 43 27.329 0.714 2.470 1.00 0.00 C ATOM 711 OE1 GLN A 43 26.644 1.236 1.613 1.00 0.00 O ATOM 712 NE2 GLN A 43 28.525 0.286 2.177 1.00 0.00 N ATOM 0 H GLN A 43 23.955 -1.812 4.914 1.00 0.00 H new ATOM 0 HA GLN A 43 25.160 -1.110 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 43 26.928 -0.983 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.862 -1.328 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 43 25.764 0.879 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 43 27.371 1.189 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 43 29.100 -0.152 2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 43 28.886 0.389 1.228 1.00 0.00 H new ATOM 721 N GLY A 44 27.282 -3.570 3.441 1.00 0.00 N ATOM 722 CA GLY A 44 27.807 -4.769 2.728 1.00 0.00 C ATOM 723 C GLY A 44 28.664 -5.598 3.686 1.00 0.00 C ATOM 724 O GLY A 44 28.329 -6.717 4.016 1.00 0.00 O ATOM 0 H GLY A 44 27.794 -3.308 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 44 26.981 -5.371 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 44 28.399 -4.462 1.866 1.00 0.00 H new ATOM 728 N VAL A 45 29.773 -5.053 4.127 1.00 0.00 N ATOM 729 CA VAL A 45 30.682 -5.791 5.071 1.00 0.00 C ATOM 730 C VAL A 45 31.361 -6.983 4.379 1.00 0.00 C ATOM 731 O VAL A 45 32.280 -7.568 4.915 1.00 0.00 O ATOM 732 CB VAL A 45 29.796 -6.280 6.224 1.00 0.00 C ATOM 733 CG1 VAL A 45 30.680 -6.763 7.376 1.00 0.00 C ATOM 734 CG2 VAL A 45 28.904 -5.136 6.717 1.00 0.00 C ATOM 0 H VAL A 45 30.093 -4.119 3.872 1.00 0.00 H new ATOM 0 HA VAL A 45 31.481 -5.139 5.424 1.00 0.00 H new ATOM 0 HB VAL A 45 29.170 -7.099 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 45 30.051 -7.111 8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 45 31.312 -7.581 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 45 31.307 -5.941 7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 45 28.277 -5.490 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 45 29.528 -4.313 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 45 28.271 -4.790 5.900 1.00 0.00 H new ATOM 744 N THR A 46 30.920 -7.348 3.199 1.00 0.00 N ATOM 745 CA THR A 46 31.540 -8.502 2.472 1.00 0.00 C ATOM 746 C THR A 46 31.685 -9.714 3.400 1.00 0.00 C ATOM 747 O THR A 46 32.559 -10.540 3.224 1.00 0.00 O ATOM 748 CB THR A 46 32.921 -8.012 2.011 1.00 0.00 C ATOM 749 OG1 THR A 46 33.802 -7.958 3.123 1.00 0.00 O ATOM 750 CG2 THR A 46 32.800 -6.621 1.385 1.00 0.00 C ATOM 0 H THR A 46 30.152 -6.893 2.705 1.00 0.00 H new ATOM 0 HA THR A 46 30.923 -8.820 1.631 1.00 0.00 H new ATOM 0 HB THR A 46 33.315 -8.705 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 46 33.289 -8.054 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 46 33.784 -6.281 1.061 1.00 0.00 H new ATOM 0 HG22 THR A 46 32.130 -6.666 0.526 1.00 0.00 H new ATOM 0 HG23 THR A 46 32.400 -5.924 2.121 1.00 0.00 H new ATOM 758 N LEU A 47 30.835 -9.823 4.385 1.00 0.00 N ATOM 759 CA LEU A 47 30.923 -10.980 5.323 1.00 0.00 C ATOM 760 C LEU A 47 29.518 -11.479 5.678 1.00 0.00 C ATOM 761 O LEU A 47 29.214 -12.649 5.549 1.00 0.00 O ATOM 762 CB LEU A 47 31.628 -10.429 6.565 1.00 0.00 C ATOM 763 CG LEU A 47 33.037 -11.021 6.661 1.00 0.00 C ATOM 764 CD1 LEU A 47 33.988 -10.230 5.760 1.00 0.00 C ATOM 765 CD2 LEU A 47 33.523 -10.940 8.109 1.00 0.00 C ATOM 0 H LEU A 47 30.084 -9.162 4.581 1.00 0.00 H new ATOM 0 HA LEU A 47 31.460 -11.824 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 47 31.682 -9.342 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 47 31.057 -10.677 7.460 1.00 0.00 H new ATOM 0 HG LEU A 47 33.016 -12.062 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 47 34.990 -10.652 5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 47 33.642 -10.285 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 47 34.010 -9.188 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 47 34.526 -11.361 8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 47 33.543 -9.898 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 47 32.847 -11.503 8.752 1.00 0.00 H new ATOM 777 N THR A 48 28.662 -10.598 6.123 1.00 0.00 N ATOM 778 CA THR A 48 27.276 -11.018 6.486 1.00 0.00 C ATOM 779 C THR A 48 26.475 -11.360 5.225 1.00 0.00 C ATOM 780 O THR A 48 25.526 -12.119 5.269 1.00 0.00 O ATOM 781 CB THR A 48 26.665 -9.810 7.203 1.00 0.00 C ATOM 782 OG1 THR A 48 25.334 -10.118 7.592 1.00 0.00 O ATOM 783 CG2 THR A 48 26.658 -8.598 6.269 1.00 0.00 C ATOM 0 H THR A 48 28.862 -9.606 6.251 1.00 0.00 H new ATOM 0 HA THR A 48 27.269 -11.908 7.115 1.00 0.00 H new ATOM 0 HB THR A 48 27.260 -9.576 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.941 -9.347 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 48 26.222 -7.743 6.786 1.00 0.00 H new ATOM 0 HG22 THR A 48 27.680 -8.361 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 48 26.067 -8.826 5.382 1.00 0.00 H new ATOM 791 N ASP A 49 26.849 -10.804 4.103 1.00 0.00 N ATOM 792 CA ASP A 49 26.107 -11.096 2.839 1.00 0.00 C ATOM 793 C ASP A 49 26.196 -12.588 2.504 1.00 0.00 C ATOM 794 O ASP A 49 25.273 -13.166 1.962 1.00 0.00 O ATOM 795 CB ASP A 49 26.804 -10.259 1.763 1.00 0.00 C ATOM 796 CG ASP A 49 28.282 -10.649 1.679 1.00 0.00 C ATOM 797 OD1 ASP A 49 29.047 -10.178 2.505 1.00 0.00 O ATOM 798 OD2 ASP A 49 28.624 -11.413 0.792 1.00 0.00 O ATOM 0 H ASP A 49 27.635 -10.161 4.006 1.00 0.00 H new ATOM 0 HA ASP A 49 25.047 -10.853 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 49 26.322 -10.416 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 49 26.711 -9.199 1.997 1.00 0.00 H new ATOM 803 N LEU A 50 27.297 -13.214 2.824 1.00 0.00 N ATOM 804 CA LEU A 50 27.443 -14.669 2.525 1.00 0.00 C ATOM 805 C LEU A 50 26.548 -15.492 3.453 1.00 0.00 C ATOM 806 O LEU A 50 25.942 -16.465 3.045 1.00 0.00 O ATOM 807 CB LEU A 50 28.917 -14.983 2.784 1.00 0.00 C ATOM 808 CG LEU A 50 29.723 -14.750 1.506 1.00 0.00 C ATOM 809 CD1 LEU A 50 31.216 -14.730 1.839 1.00 0.00 C ATOM 810 CD2 LEU A 50 29.439 -15.877 0.511 1.00 0.00 C ATOM 0 H LEU A 50 28.101 -12.782 3.279 1.00 0.00 H new ATOM 0 HA LEU A 50 27.149 -14.911 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.298 -14.352 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.027 -16.017 3.112 1.00 0.00 H new ATOM 0 HG LEU A 50 29.436 -13.795 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 31.790 -14.564 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.420 -13.927 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.503 -15.685 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 50 30.014 -15.711 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.725 -16.832 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 50 28.376 -15.892 0.272 1.00 0.00 H new ATOM 822 N GLN A 51 26.460 -15.110 4.700 1.00 0.00 N ATOM 823 CA GLN A 51 25.603 -15.869 5.658 1.00 0.00 C ATOM 824 C GLN A 51 24.123 -15.624 5.352 1.00 0.00 C ATOM 825 O GLN A 51 23.303 -16.515 5.453 1.00 0.00 O ATOM 826 CB GLN A 51 25.964 -15.317 7.038 1.00 0.00 C ATOM 827 CG GLN A 51 25.972 -16.456 8.063 1.00 0.00 C ATOM 828 CD GLN A 51 25.065 -16.095 9.241 1.00 0.00 C ATOM 829 OE1 GLN A 51 25.291 -15.110 9.917 1.00 0.00 O ATOM 830 NE2 GLN A 51 24.041 -16.854 9.517 1.00 0.00 N ATOM 0 H GLN A 51 26.945 -14.305 5.097 1.00 0.00 H new ATOM 0 HA GLN A 51 25.767 -16.945 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 51 26.943 -14.838 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.245 -14.553 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 51 25.629 -17.380 7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 51 26.988 -16.634 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.851 -17.680 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.430 -16.621 10.300 1.00 0.00 H new ATOM 839 N GLU A 52 23.776 -14.420 4.979 1.00 0.00 N ATOM 840 CA GLU A 52 22.348 -14.115 4.667 1.00 0.00 C ATOM 841 C GLU A 52 21.870 -14.970 3.490 1.00 0.00 C ATOM 842 O GLU A 52 20.843 -15.614 3.556 1.00 0.00 O ATOM 843 CB GLU A 52 22.330 -12.632 4.294 1.00 0.00 C ATOM 844 CG GLU A 52 21.948 -11.801 5.521 1.00 0.00 C ATOM 845 CD GLU A 52 21.169 -10.562 5.077 1.00 0.00 C ATOM 846 OE1 GLU A 52 21.652 -9.866 4.199 1.00 0.00 O ATOM 847 OE2 GLU A 52 20.103 -10.331 5.623 1.00 0.00 O ATOM 0 H GLU A 52 24.419 -13.635 4.877 1.00 0.00 H new ATOM 0 HA GLU A 52 21.687 -14.331 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.309 -12.327 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.618 -12.458 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.343 -12.398 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.844 -11.504 6.065 1.00 0.00 H new ATOM 854 N ALA A 53 22.611 -14.979 2.413 1.00 0.00 N ATOM 855 CA ALA A 53 22.201 -15.792 1.230 1.00 0.00 C ATOM 856 C ALA A 53 22.175 -17.278 1.595 1.00 0.00 C ATOM 857 O ALA A 53 21.317 -18.020 1.157 1.00 0.00 O ATOM 858 CB ALA A 53 23.269 -15.519 0.169 1.00 0.00 C ATOM 0 H ALA A 53 23.481 -14.459 2.301 1.00 0.00 H new ATOM 0 HA ALA A 53 21.203 -15.533 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 53 23.037 -16.083 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 53 23.288 -14.454 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 53 24.244 -15.825 0.547 1.00 0.00 H new ATOM 864 N GLU A 54 23.109 -17.718 2.396 1.00 0.00 N ATOM 865 CA GLU A 54 23.140 -19.158 2.791 1.00 0.00 C ATOM 866 C GLU A 54 21.873 -19.519 3.571 1.00 0.00 C ATOM 867 O GLU A 54 21.389 -20.631 3.507 1.00 0.00 O ATOM 868 CB GLU A 54 24.377 -19.301 3.679 1.00 0.00 C ATOM 869 CG GLU A 54 24.591 -20.777 4.022 1.00 0.00 C ATOM 870 CD GLU A 54 26.030 -20.988 4.496 1.00 0.00 C ATOM 871 OE1 GLU A 54 26.447 -20.275 5.394 1.00 0.00 O ATOM 872 OE2 GLU A 54 26.691 -21.858 3.954 1.00 0.00 O ATOM 0 H GLU A 54 23.852 -17.143 2.794 1.00 0.00 H new ATOM 0 HA GLU A 54 23.181 -19.822 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 54 25.254 -18.905 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.252 -18.719 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.892 -21.086 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.390 -21.397 3.148 1.00 0.00 H new ATOM 879 N LYS A 55 21.335 -18.585 4.310 1.00 0.00 N ATOM 880 CA LYS A 55 20.098 -18.873 5.096 1.00 0.00 C ATOM 881 C LYS A 55 18.897 -19.018 4.157 1.00 0.00 C ATOM 882 O LYS A 55 18.156 -19.978 4.229 1.00 0.00 O ATOM 883 CB LYS A 55 19.919 -17.662 6.013 1.00 0.00 C ATOM 884 CG LYS A 55 18.813 -17.951 7.030 1.00 0.00 C ATOM 885 CD LYS A 55 18.825 -16.878 8.119 1.00 0.00 C ATOM 886 CE LYS A 55 17.398 -16.628 8.608 1.00 0.00 C ATOM 887 NZ LYS A 55 16.927 -15.446 7.834 1.00 0.00 N ATOM 0 H LYS A 55 21.698 -17.636 4.404 1.00 0.00 H new ATOM 0 HA LYS A 55 20.174 -19.803 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 55 20.854 -17.442 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 55 19.665 -16.781 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.843 -17.968 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 55 18.961 -18.936 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.455 -17.196 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.254 -15.955 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.762 -17.495 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.377 -16.432 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.953 -15.213 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.547 -14.634 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.951 -15.664 6.817 1.00 0.00 H new ATOM 901 N THR A 56 18.702 -18.071 3.279 1.00 0.00 N ATOM 902 CA THR A 56 17.548 -18.153 2.334 1.00 0.00 C ATOM 903 C THR A 56 17.814 -19.219 1.268 1.00 0.00 C ATOM 904 O THR A 56 16.922 -19.940 0.862 1.00 0.00 O ATOM 905 CB THR A 56 17.457 -16.766 1.696 1.00 0.00 C ATOM 906 OG1 THR A 56 18.738 -16.385 1.213 1.00 0.00 O ATOM 907 CG2 THR A 56 16.979 -15.753 2.736 1.00 0.00 C ATOM 0 H THR A 56 19.291 -17.245 3.174 1.00 0.00 H new ATOM 0 HA THR A 56 16.621 -18.430 2.837 1.00 0.00 H new ATOM 0 HB THR A 56 16.749 -16.792 0.868 1.00 0.00 H new ATOM 0 HG1 THR A 56 18.682 -15.497 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.915 -14.765 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.996 -16.047 3.105 1.00 0.00 H new ATOM 0 HG23 THR A 56 17.684 -15.724 3.566 1.00 0.00 H new ATOM 915 N ILE A 57 19.034 -19.324 0.813 1.00 0.00 N ATOM 916 CA ILE A 57 19.361 -20.343 -0.227 1.00 0.00 C ATOM 917 C ILE A 57 20.880 -20.510 -0.344 1.00 0.00 C ATOM 918 O ILE A 57 21.585 -19.604 -0.744 1.00 0.00 O ATOM 919 CB ILE A 57 18.770 -19.789 -1.527 1.00 0.00 C ATOM 920 CG1 ILE A 57 19.052 -20.766 -2.672 1.00 0.00 C ATOM 921 CG2 ILE A 57 19.399 -18.431 -1.849 1.00 0.00 C ATOM 922 CD1 ILE A 57 18.168 -20.415 -3.872 1.00 0.00 C ATOM 0 H ILE A 57 19.819 -18.748 1.117 1.00 0.00 H new ATOM 0 HA ILE A 57 18.955 -21.326 0.013 1.00 0.00 H new ATOM 0 HB ILE A 57 17.694 -19.665 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.104 -20.718 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.856 -21.788 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.974 -18.043 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.195 -17.734 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.476 -18.548 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 57 18.368 -21.110 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.119 -20.486 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.386 -19.399 -4.200 1.00 0.00 H new ATOM 934 N GLY A 58 21.387 -21.663 0.004 1.00 0.00 N ATOM 935 CA GLY A 58 22.858 -21.890 -0.085 1.00 0.00 C ATOM 936 C GLY A 58 23.127 -23.253 -0.723 1.00 0.00 C ATOM 937 O GLY A 58 22.437 -23.670 -1.633 1.00 0.00 O ATOM 0 H GLY A 58 20.846 -22.457 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 58 23.323 -21.102 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 58 23.304 -21.848 0.909 1.00 0.00 H new ATOM 941 N ARG A 59 24.126 -23.950 -0.253 1.00 0.00 N ATOM 942 CA ARG A 59 24.443 -25.289 -0.831 1.00 0.00 C ATOM 943 C ARG A 59 24.919 -26.241 0.270 1.00 0.00 C ATOM 944 O ARG A 59 25.842 -27.008 0.084 1.00 0.00 O ATOM 945 CB ARG A 59 25.566 -25.029 -1.837 1.00 0.00 C ATOM 946 CG ARG A 59 24.982 -24.962 -3.251 1.00 0.00 C ATOM 947 CD ARG A 59 25.852 -24.050 -4.119 1.00 0.00 C ATOM 948 NE ARG A 59 24.939 -23.551 -5.186 1.00 0.00 N ATOM 949 CZ ARG A 59 24.682 -22.276 -5.280 1.00 0.00 C ATOM 950 NH1 ARG A 59 25.661 -21.415 -5.345 1.00 0.00 N ATOM 951 NH2 ARG A 59 23.445 -21.860 -5.308 1.00 0.00 N ATOM 0 H ARG A 59 24.737 -23.650 0.507 1.00 0.00 H new ATOM 0 HA ARG A 59 23.575 -25.753 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.074 -24.095 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 59 26.312 -25.821 -1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 59 24.937 -25.961 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 59 23.961 -24.583 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 59 26.266 -23.227 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 59 26.695 -24.595 -4.543 1.00 0.00 H new ATOM 0 HE ARG A 59 24.515 -24.207 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 59 26.628 -21.739 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 59 25.459 -20.418 -5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 59 22.680 -22.532 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 59 23.244 -20.863 -5.382 1.00 0.00 H new ATOM 965 N SER A 60 24.293 -26.195 1.416 1.00 0.00 N ATOM 966 CA SER A 60 24.705 -27.097 2.531 1.00 0.00 C ATOM 967 C SER A 60 23.795 -28.326 2.581 1.00 0.00 C ATOM 968 O SER A 60 22.693 -28.245 2.065 1.00 0.00 O ATOM 969 CB SER A 60 24.544 -26.258 3.798 1.00 0.00 C ATOM 970 OG SER A 60 23.161 -26.095 4.081 1.00 0.00 O ATOM 971 OXT SER A 60 24.216 -29.328 3.137 1.00 0.00 O ATOM 0 H SER A 60 23.514 -25.572 1.628 1.00 0.00 H new ATOM 0 HA SER A 60 25.725 -27.463 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 60 25.044 -26.744 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 60 25.017 -25.285 3.666 1.00 0.00 H new ATOM 0 HG SER A 60 23.055 -25.559 4.894 1.00 0.00 H new TER 977 SER A 60