USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= 1.03 K(o=2.3,f=-0.85!) USER MOD Set 1.2: A 26 THR OG1 : rot 143:sc= 1.27 USER MOD Set 2.1: A 17 MET CE :methyl 172:sc= -0.158 (180deg=-0.42) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.14) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 79:sc= 0.668 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.361 (180deg=-0.333) USER MOD Single : A 12 GLN : amide:sc= 0.319 K(o=0.32,f=-5.3!) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 1.11 (180deg=-0.223) USER MOD Single : A 21 GLN : amide:sc= 0.188 K(o=0.19,f=-1.6) USER MOD Single : A 28 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 29 GLN : amide:sc= 1.23 K(o=1.2,f=-0.015) USER MOD Single : A 32 SER OG : rot -79:sc= 0.876 USER MOD Single : A 33 GLN : amide:sc= 0.0452 K(o=0.045,f=-3.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -178:sc= -0.217 (180deg=-0.223) USER MOD Single : A 51 SER OG : rot -86:sc= 0.527 USER MOD Single : A 57 SER OG : rot 172:sc= 1.21 USER MOD Single : A 62 THR OG1 : rot -80:sc= 1.27 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0.0831! (180deg=-0.28!) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.651) USER MOD Single : A 67 GLN : amide:sc= 0.134 K(o=0.13,f=-2.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -14.685 -2.927 6.972 1.00 0.00 N ATOM 11 CA TYR A 2 -13.433 -2.873 7.763 1.00 0.00 C ATOM 12 C TYR A 2 -12.218 -2.651 6.849 1.00 0.00 C ATOM 13 O TYR A 2 -11.263 -1.955 7.201 1.00 0.00 O ATOM 14 CB TYR A 2 -13.295 -4.165 8.588 1.00 0.00 C ATOM 15 CG TYR A 2 -11.949 -4.374 9.268 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.509 -3.486 10.270 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.141 -5.474 8.913 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.275 -3.694 10.914 1.00 0.00 C ATOM 19 CE2 TYR A 2 -9.909 -5.689 9.557 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.469 -4.803 10.564 1.00 0.00 C ATOM 21 OH TYR A 2 -8.283 -5.028 11.192 1.00 0.00 O ATOM 0 HA TYR A 2 -13.474 -2.027 8.449 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.072 -4.171 9.352 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.486 -5.015 7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.122 -2.641 10.545 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.470 -6.155 8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.943 -3.006 11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.298 -6.535 9.280 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.866 -5.835 10.824 1.00 0.00 H new ATOM 31 N PHE A 3 -12.301 -3.212 5.640 1.00 0.00 N ATOM 32 CA PHE A 3 -11.357 -3.029 4.561 1.00 0.00 C ATOM 33 C PHE A 3 -10.961 -1.569 4.338 1.00 0.00 C ATOM 34 O PHE A 3 -9.799 -1.339 4.026 1.00 0.00 O ATOM 35 CB PHE A 3 -11.933 -3.616 3.272 1.00 0.00 C ATOM 36 CG PHE A 3 -11.786 -5.106 3.093 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.511 -5.607 2.768 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.899 -5.965 3.117 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.338 -6.966 2.472 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.727 -7.327 2.819 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.451 -7.819 2.489 1.00 0.00 C ATOM 0 H PHE A 3 -13.069 -3.834 5.386 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.446 -3.554 4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.994 -3.369 3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.455 -3.121 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.662 -4.940 2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.878 -5.581 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.358 -7.352 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.574 -7.996 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.327 -8.864 2.246 1.00 0.00 H new ATOM 51 N CYS A 4 -11.881 -0.603 4.456 1.00 0.00 N ATOM 52 CA CYS A 4 -11.575 0.796 4.190 1.00 0.00 C ATOM 53 C CYS A 4 -10.473 1.291 5.124 1.00 0.00 C ATOM 54 O CYS A 4 -9.446 1.767 4.649 1.00 0.00 O ATOM 55 CB CYS A 4 -12.816 1.691 4.319 1.00 0.00 C ATOM 56 SG CYS A 4 -12.485 3.359 3.694 1.00 0.00 S ATOM 0 H CYS A 4 -12.847 -0.773 4.736 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.227 0.859 3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.645 1.250 3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.122 1.745 5.364 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.554 4.088 3.816 1.00 0.00 H new ATOM 61 N GLU A 5 -10.681 1.173 6.440 1.00 0.00 N ATOM 62 CA GLU A 5 -9.711 1.622 7.435 1.00 0.00 C ATOM 63 C GLU A 5 -8.418 0.837 7.237 1.00 0.00 C ATOM 64 O GLU A 5 -7.356 1.437 7.100 1.00 0.00 O ATOM 65 CB GLU A 5 -10.284 1.465 8.854 1.00 0.00 C ATOM 66 CG GLU A 5 -9.574 2.355 9.889 1.00 0.00 C ATOM 67 CD GLU A 5 -8.082 2.063 10.077 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.718 0.935 10.484 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.255 2.989 9.904 1.00 0.00 O ATOM 0 H GLU A 5 -11.525 0.764 6.841 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.494 2.683 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.346 1.709 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.200 0.422 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.690 3.397 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.075 2.240 10.850 1.00 0.00 H new ATOM 76 N SER A 6 -8.528 -0.492 7.131 1.00 0.00 N ATOM 77 CA SER A 6 -7.394 -1.375 6.905 1.00 0.00 C ATOM 78 C SER A 6 -6.541 -0.864 5.740 1.00 0.00 C ATOM 79 O SER A 6 -5.345 -0.647 5.899 1.00 0.00 O ATOM 80 CB SER A 6 -7.886 -2.796 6.618 1.00 0.00 C ATOM 81 OG SER A 6 -8.709 -3.304 7.647 1.00 0.00 O ATOM 0 H SER A 6 -9.419 -0.983 7.201 1.00 0.00 H new ATOM 0 HA SER A 6 -6.777 -1.389 7.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.439 -2.802 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.027 -3.454 6.486 1.00 0.00 H new ATOM 0 HG SER A 6 -9.610 -2.928 7.561 1.00 0.00 H new ATOM 87 N CYS A 7 -7.157 -0.649 4.578 1.00 0.00 N ATOM 88 CA CYS A 7 -6.522 -0.147 3.374 1.00 0.00 C ATOM 89 C CYS A 7 -5.890 1.218 3.618 1.00 0.00 C ATOM 90 O CYS A 7 -4.732 1.417 3.257 1.00 0.00 O ATOM 91 CB CYS A 7 -7.569 -0.083 2.262 1.00 0.00 C ATOM 92 SG CYS A 7 -6.973 0.598 0.697 1.00 0.00 S ATOM 0 H CYS A 7 -8.153 -0.829 4.451 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.718 -0.819 3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.950 -1.088 2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.409 0.519 2.608 1.00 0.00 H new ATOM 97 N ARG A 8 -6.625 2.146 4.237 1.00 0.00 N ATOM 98 CA ARG A 8 -6.133 3.485 4.528 1.00 0.00 C ATOM 99 C ARG A 8 -4.846 3.383 5.338 1.00 0.00 C ATOM 100 O ARG A 8 -3.849 3.985 4.955 1.00 0.00 O ATOM 101 CB ARG A 8 -7.219 4.296 5.259 1.00 0.00 C ATOM 102 CG ARG A 8 -6.912 5.796 5.234 1.00 0.00 C ATOM 103 CD ARG A 8 -7.825 6.564 6.199 1.00 0.00 C ATOM 104 NE ARG A 8 -7.708 8.020 6.015 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.666 8.793 6.357 1.00 0.00 C ATOM 106 NH1 ARG A 8 -5.617 8.265 6.982 1.00 0.00 N ATOM 107 NH2 ARG A 8 -6.663 10.088 6.054 1.00 0.00 N ATOM 0 H ARG A 8 -7.582 1.983 4.550 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.905 4.013 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.187 4.114 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.295 3.956 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.869 5.961 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.042 6.180 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.860 6.259 6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.569 6.305 7.226 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.503 8.491 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.603 7.269 7.203 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.827 8.856 7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.455 10.498 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.868 10.671 6.316 1.00 0.00 H new ATOM 121 N LYS A 9 -4.856 2.623 6.434 1.00 0.00 N ATOM 122 CA LYS A 9 -3.705 2.396 7.297 1.00 0.00 C ATOM 123 C LYS A 9 -2.561 1.737 6.525 1.00 0.00 C ATOM 124 O LYS A 9 -1.419 2.168 6.667 1.00 0.00 O ATOM 125 CB LYS A 9 -4.178 1.561 8.499 1.00 0.00 C ATOM 126 CG LYS A 9 -3.071 1.326 9.535 1.00 0.00 C ATOM 127 CD LYS A 9 -3.570 0.581 10.786 1.00 0.00 C ATOM 128 CE LYS A 9 -4.142 1.493 11.886 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.529 1.943 11.643 1.00 0.00 N ATOM 0 H LYS A 9 -5.693 2.135 6.752 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.301 3.340 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.016 2.066 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.547 0.599 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.265 0.754 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.650 2.286 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.338 -0.132 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.745 0.004 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.106 0.962 12.837 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.501 2.369 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.945 2.283 12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.527 2.714 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.093 1.149 11.279 1.00 0.00 H new ATOM 143 N ILE A 10 -2.856 0.701 5.737 1.00 0.00 N ATOM 144 CA ILE A 10 -1.877 -0.053 4.961 1.00 0.00 C ATOM 145 C ILE A 10 -1.156 0.888 3.993 1.00 0.00 C ATOM 146 O ILE A 10 0.072 0.918 4.011 1.00 0.00 O ATOM 147 CB ILE A 10 -2.544 -1.290 4.309 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.816 -2.349 5.405 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.680 -1.941 3.215 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.864 -3.389 4.996 1.00 0.00 C ATOM 0 H ILE A 10 -3.809 0.356 5.620 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.099 -0.464 5.605 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.464 -0.942 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.884 -2.859 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.149 -1.845 6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.206 -2.801 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.488 -1.216 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.733 -2.267 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.007 -4.101 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.808 -2.889 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.523 -3.918 4.106 1.00 0.00 H new ATOM 162 N ILE A 11 -1.886 1.662 3.181 1.00 0.00 N ATOM 163 CA ILE A 11 -1.277 2.642 2.288 1.00 0.00 C ATOM 164 C ILE A 11 -0.513 3.680 3.112 1.00 0.00 C ATOM 165 O ILE A 11 0.645 3.920 2.801 1.00 0.00 O ATOM 166 CB ILE A 11 -2.325 3.279 1.342 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.915 2.302 0.291 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.761 4.508 0.610 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.921 1.588 -0.631 1.00 0.00 C ATOM 0 H ILE A 11 -2.904 1.624 3.128 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.561 2.139 1.638 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.137 3.575 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.491 1.543 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.616 2.858 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.527 4.926 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.458 5.259 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.898 4.212 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.464 0.936 -1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.359 2.327 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.233 0.992 -0.032 1.00 0.00 H new ATOM 181 N GLN A 12 -1.114 4.279 4.147 1.00 0.00 N ATOM 182 CA GLN A 12 -0.483 5.365 4.899 1.00 0.00 C ATOM 183 C GLN A 12 0.878 4.959 5.444 1.00 0.00 C ATOM 184 O GLN A 12 1.826 5.717 5.284 1.00 0.00 O ATOM 185 CB GLN A 12 -1.375 5.839 6.054 1.00 0.00 C ATOM 186 CG GLN A 12 -2.553 6.690 5.570 1.00 0.00 C ATOM 187 CD GLN A 12 -2.301 8.197 5.673 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.969 8.867 6.461 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.424 8.780 4.872 1.00 0.00 N ATOM 0 H GLN A 12 -2.043 4.026 4.483 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.345 6.187 4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.754 4.973 6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.777 6.418 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.772 6.436 4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.438 6.437 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.874 8.218 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.297 9.792 4.904 1.00 0.00 H new ATOM 198 N LYS A 13 1.003 3.793 6.094 1.00 0.00 N ATOM 199 CA LYS A 13 2.313 3.410 6.612 1.00 0.00 C ATOM 200 C LYS A 13 3.290 3.087 5.479 1.00 0.00 C ATOM 201 O LYS A 13 4.490 3.203 5.688 1.00 0.00 O ATOM 202 CB LYS A 13 2.238 2.344 7.720 1.00 0.00 C ATOM 203 CG LYS A 13 3.523 2.234 8.580 1.00 0.00 C ATOM 204 CD LYS A 13 4.109 3.595 9.010 1.00 0.00 C ATOM 205 CE LYS A 13 5.209 3.518 10.076 1.00 0.00 C ATOM 206 NZ LYS A 13 5.843 4.844 10.275 1.00 0.00 N ATOM 0 H LYS A 13 0.248 3.129 6.266 1.00 0.00 H new ATOM 0 HA LYS A 13 2.730 4.279 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.395 2.572 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.035 1.375 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.302 1.647 9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.279 1.686 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.512 4.095 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.300 4.219 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.786 3.167 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.963 2.791 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.394 4.837 11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.474 5.051 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.106 5.576 10.333 1.00 0.00 H new ATOM 220 N LEU A 14 2.817 2.625 4.319 1.00 0.00 N ATOM 221 CA LEU A 14 3.678 2.331 3.174 1.00 0.00 C ATOM 222 C LEU A 14 4.257 3.650 2.666 1.00 0.00 C ATOM 223 O LEU A 14 5.459 3.765 2.485 1.00 0.00 O ATOM 224 CB LEU A 14 2.849 1.644 2.075 1.00 0.00 C ATOM 225 CG LEU A 14 3.640 0.818 1.048 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.629 0.378 -0.019 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.869 1.480 0.426 1.00 0.00 C ATOM 0 H LEU A 14 1.828 2.445 4.148 1.00 0.00 H new ATOM 0 HA LEU A 14 4.489 1.661 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.120 0.990 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.287 2.410 1.540 1.00 0.00 H new ATOM 0 HG LEU A 14 4.092 -0.019 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.137 -0.216 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.847 -0.221 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.184 1.258 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.335 0.792 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.568 2.388 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.582 1.733 1.211 1.00 0.00 H new ATOM 239 N GLU A 15 3.380 4.627 2.452 1.00 0.00 N ATOM 240 CA GLU A 15 3.628 5.981 1.983 1.00 0.00 C ATOM 241 C GLU A 15 4.642 6.664 2.905 1.00 0.00 C ATOM 242 O GLU A 15 5.672 7.141 2.440 1.00 0.00 O ATOM 243 CB GLU A 15 2.219 6.622 1.927 1.00 0.00 C ATOM 244 CG GLU A 15 2.050 8.085 1.507 1.00 0.00 C ATOM 245 CD GLU A 15 0.562 8.512 1.510 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.206 8.149 2.439 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.162 9.254 0.579 1.00 0.00 O ATOM 0 H GLU A 15 2.386 4.473 2.619 1.00 0.00 H new ATOM 0 HA GLU A 15 4.091 6.060 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.618 6.020 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.778 6.518 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.614 8.726 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.468 8.228 0.511 1.00 0.00 H new ATOM 254 N ASP A 16 4.382 6.636 4.211 1.00 0.00 N ATOM 255 CA ASP A 16 5.269 7.103 5.281 1.00 0.00 C ATOM 256 C ASP A 16 6.640 6.440 5.184 1.00 0.00 C ATOM 257 O ASP A 16 7.656 7.129 5.220 1.00 0.00 O ATOM 258 CB ASP A 16 4.555 6.779 6.611 1.00 0.00 C ATOM 259 CG ASP A 16 5.379 6.677 7.903 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.415 5.976 7.959 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.782 6.938 8.976 1.00 0.00 O ATOM 0 H ASP A 16 3.502 6.268 4.573 1.00 0.00 H new ATOM 0 HA ASP A 16 5.457 8.174 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.793 7.543 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.033 5.831 6.480 1.00 0.00 H new ATOM 266 N MET A 17 6.670 5.112 5.051 1.00 0.00 N ATOM 267 CA MET A 17 7.913 4.365 5.073 1.00 0.00 C ATOM 268 C MET A 17 8.751 4.601 3.828 1.00 0.00 C ATOM 269 O MET A 17 9.961 4.762 3.965 1.00 0.00 O ATOM 270 CB MET A 17 7.647 2.862 5.212 1.00 0.00 C ATOM 271 CG MET A 17 7.368 2.458 6.663 1.00 0.00 C ATOM 272 SD MET A 17 6.897 0.718 6.957 1.00 0.00 S ATOM 273 CE MET A 17 7.400 -0.127 5.428 1.00 0.00 C ATOM 0 H MET A 17 5.838 4.536 4.927 1.00 0.00 H new ATOM 0 HA MET A 17 8.470 4.726 5.938 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.796 2.586 4.589 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.508 2.306 4.840 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.259 2.673 7.253 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.571 3.095 7.046 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.291 -1.204 5.555 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.770 0.207 4.604 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.441 0.109 5.207 1.00 0.00 H new ATOM 283 N VAL A 18 8.181 4.401 2.634 1.00 0.00 N ATOM 284 CA VAL A 18 8.945 4.570 1.405 1.00 0.00 C ATOM 285 C VAL A 18 9.426 6.027 1.282 1.00 0.00 C ATOM 286 O VAL A 18 10.499 6.275 0.737 1.00 0.00 O ATOM 287 CB VAL A 18 8.170 4.022 0.194 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.125 4.978 -0.376 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.117 3.471 -0.872 1.00 0.00 C ATOM 0 H VAL A 18 7.208 4.126 2.499 1.00 0.00 H new ATOM 0 HA VAL A 18 9.853 3.968 1.435 1.00 0.00 H new ATOM 0 HB VAL A 18 7.581 3.187 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.628 4.510 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.388 5.211 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.612 5.897 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.537 3.092 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.779 4.266 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.711 2.662 -0.447 1.00 0.00 H new ATOM 299 N GLY A 19 8.628 6.975 1.792 1.00 0.00 N ATOM 300 CA GLY A 19 8.888 8.399 1.720 1.00 0.00 C ATOM 301 C GLY A 19 8.513 8.967 0.343 1.00 0.00 C ATOM 302 O GLY A 19 7.761 8.342 -0.411 1.00 0.00 O ATOM 0 H GLY A 19 7.760 6.754 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.320 8.914 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.943 8.589 1.919 1.00 0.00 H new ATOM 306 N PRO A 20 8.939 10.203 0.027 1.00 0.00 N ATOM 307 CA PRO A 20 8.629 10.842 -1.233 1.00 0.00 C ATOM 308 C PRO A 20 9.451 10.222 -2.363 1.00 0.00 C ATOM 309 O PRO A 20 10.449 9.541 -2.152 1.00 0.00 O ATOM 310 CB PRO A 20 8.971 12.321 -1.026 1.00 0.00 C ATOM 311 CG PRO A 20 10.169 12.249 -0.084 1.00 0.00 C ATOM 312 CD PRO A 20 9.835 11.044 0.795 1.00 0.00 C ATOM 0 HA PRO A 20 7.585 10.716 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.221 12.816 -1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.140 12.873 -0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.103 12.107 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.277 13.161 0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.740 10.500 1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.365 11.362 1.725 1.00 0.00 H new ATOM 320 N GLN A 21 9.009 10.548 -3.571 1.00 0.00 N ATOM 321 CA GLN A 21 9.517 10.148 -4.885 1.00 0.00 C ATOM 322 C GLN A 21 10.198 8.761 -4.899 1.00 0.00 C ATOM 323 O GLN A 21 11.369 8.662 -5.268 1.00 0.00 O ATOM 324 CB GLN A 21 10.422 11.264 -5.453 1.00 0.00 C ATOM 325 CG GLN A 21 9.813 12.678 -5.402 1.00 0.00 C ATOM 326 CD GLN A 21 8.348 12.710 -5.827 1.00 0.00 C ATOM 327 OE1 GLN A 21 7.451 12.672 -4.991 1.00 0.00 O ATOM 328 NE2 GLN A 21 8.066 12.736 -7.120 1.00 0.00 N ATOM 0 H GLN A 21 8.201 11.163 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 21 8.657 10.024 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.361 11.268 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.663 11.025 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.900 13.069 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.388 13.339 -6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.820 12.768 -7.806 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.094 12.725 -7.430 1.00 0.00 H new ATOM 337 N PRO A 22 9.484 7.679 -4.533 1.00 0.00 N ATOM 338 CA PRO A 22 10.048 6.339 -4.526 1.00 0.00 C ATOM 339 C PRO A 22 10.115 5.774 -5.959 1.00 0.00 C ATOM 340 O PRO A 22 9.722 6.425 -6.929 1.00 0.00 O ATOM 341 CB PRO A 22 9.104 5.558 -3.621 1.00 0.00 C ATOM 342 CG PRO A 22 7.748 6.140 -3.990 1.00 0.00 C ATOM 343 CD PRO A 22 8.076 7.625 -4.151 1.00 0.00 C ATOM 0 HA PRO A 22 11.075 6.294 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.152 4.486 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.337 5.705 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.354 5.707 -4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.004 5.968 -3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.446 8.085 -4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.901 8.168 -3.222 1.00 0.00 H new ATOM 351 N ASN A 23 10.494 4.502 -6.094 1.00 0.00 N ATOM 352 CA ASN A 23 10.599 3.791 -7.366 1.00 0.00 C ATOM 353 C ASN A 23 10.035 2.384 -7.173 1.00 0.00 C ATOM 354 O ASN A 23 10.032 1.848 -6.068 1.00 0.00 O ATOM 355 CB ASN A 23 12.052 3.739 -7.870 1.00 0.00 C ATOM 356 CG ASN A 23 12.935 2.881 -6.974 1.00 0.00 C ATOM 357 OD1 ASN A 23 13.136 3.210 -5.814 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.464 1.765 -7.454 1.00 0.00 N ATOM 0 H ASN A 23 10.744 3.921 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 23 10.027 4.323 -8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.070 3.342 -8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.456 4.750 -7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.042 1.176 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.293 1.495 -8.423 1.00 0.00 H new ATOM 365 N GLU A 24 9.571 1.802 -8.278 1.00 0.00 N ATOM 366 CA GLU A 24 8.853 0.533 -8.405 1.00 0.00 C ATOM 367 C GLU A 24 9.360 -0.619 -7.526 1.00 0.00 C ATOM 368 O GLU A 24 8.536 -1.309 -6.919 1.00 0.00 O ATOM 369 CB GLU A 24 8.937 0.178 -9.901 1.00 0.00 C ATOM 370 CG GLU A 24 8.210 -1.096 -10.356 1.00 0.00 C ATOM 371 CD GLU A 24 6.743 -0.847 -10.701 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.461 -0.152 -11.699 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.841 -1.420 -10.052 1.00 0.00 O ATOM 0 H GLU A 24 9.699 2.245 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 24 7.834 0.666 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.539 1.017 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.989 0.081 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.719 -1.508 -11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.271 -1.846 -9.567 1.00 0.00 H new ATOM 380 N ASP A 25 10.678 -0.801 -7.392 1.00 0.00 N ATOM 381 CA ASP A 25 11.202 -1.868 -6.537 1.00 0.00 C ATOM 382 C ASP A 25 10.995 -1.492 -5.079 1.00 0.00 C ATOM 383 O ASP A 25 10.324 -2.216 -4.349 1.00 0.00 O ATOM 384 CB ASP A 25 12.680 -2.176 -6.776 1.00 0.00 C ATOM 385 CG ASP A 25 13.094 -3.247 -5.758 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.705 -4.414 -5.970 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.713 -2.870 -4.738 1.00 0.00 O ATOM 0 H ASP A 25 11.389 -0.235 -7.855 1.00 0.00 H new ATOM 0 HA ASP A 25 10.650 -2.772 -6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.839 -2.532 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.284 -1.277 -6.655 1.00 0.00 H new ATOM 392 N THR A 26 11.503 -0.329 -4.672 1.00 0.00 N ATOM 393 CA THR A 26 11.465 0.144 -3.300 1.00 0.00 C ATOM 394 C THR A 26 10.022 0.161 -2.796 1.00 0.00 C ATOM 395 O THR A 26 9.775 -0.230 -1.660 1.00 0.00 O ATOM 396 CB THR A 26 12.134 1.525 -3.224 1.00 0.00 C ATOM 397 OG1 THR A 26 13.374 1.463 -3.896 1.00 0.00 O ATOM 398 CG2 THR A 26 12.455 1.933 -1.785 1.00 0.00 C ATOM 0 H THR A 26 11.963 0.322 -5.308 1.00 0.00 H new ATOM 0 HA THR A 26 12.021 -0.529 -2.648 1.00 0.00 H new ATOM 0 HB THR A 26 11.441 2.242 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.533 2.307 -4.367 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.927 2.916 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.534 1.971 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.134 1.204 -1.343 1.00 0.00 H new ATOM 406 N VAL A 27 9.049 0.537 -3.632 1.00 0.00 N ATOM 407 CA VAL A 27 7.637 0.461 -3.276 1.00 0.00 C ATOM 408 C VAL A 27 7.244 -1.003 -3.033 1.00 0.00 C ATOM 409 O VAL A 27 6.633 -1.306 -2.009 1.00 0.00 O ATOM 410 CB VAL A 27 6.761 1.134 -4.354 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.277 1.061 -3.969 1.00 0.00 C ATOM 412 CG2 VAL A 27 7.116 2.618 -4.523 1.00 0.00 C ATOM 0 H VAL A 27 9.221 0.900 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 27 7.466 1.010 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 27 6.947 0.598 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.677 1.541 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.977 0.018 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.122 1.573 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.479 3.059 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.961 3.139 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.160 2.711 -4.821 1.00 0.00 H new ATOM 422 N THR A 28 7.580 -1.916 -3.943 1.00 0.00 N ATOM 423 CA THR A 28 7.268 -3.337 -3.837 1.00 0.00 C ATOM 424 C THR A 28 7.861 -3.958 -2.559 1.00 0.00 C ATOM 425 O THR A 28 7.136 -4.642 -1.819 1.00 0.00 O ATOM 426 CB THR A 28 7.723 -4.037 -5.132 1.00 0.00 C ATOM 427 OG1 THR A 28 7.017 -3.476 -6.223 1.00 0.00 O ATOM 428 CG2 THR A 28 7.437 -5.540 -5.114 1.00 0.00 C ATOM 0 H THR A 28 8.089 -1.680 -4.795 1.00 0.00 H new ATOM 0 HA THR A 28 6.192 -3.477 -3.737 1.00 0.00 H new ATOM 0 HB THR A 28 8.800 -3.893 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.531 -2.729 -6.596 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.776 -5.986 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.965 -6.001 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.366 -5.705 -5.001 1.00 0.00 H new ATOM 436 N GLN A 29 9.144 -3.730 -2.256 1.00 0.00 N ATOM 437 CA GLN A 29 9.752 -4.263 -1.039 1.00 0.00 C ATOM 438 C GLN A 29 9.168 -3.562 0.195 1.00 0.00 C ATOM 439 O GLN A 29 8.735 -4.236 1.136 1.00 0.00 O ATOM 440 CB GLN A 29 11.292 -4.241 -1.083 1.00 0.00 C ATOM 441 CG GLN A 29 11.960 -2.924 -1.481 1.00 0.00 C ATOM 442 CD GLN A 29 13.433 -2.899 -1.083 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.748 -2.884 0.104 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.348 -2.889 -2.035 1.00 0.00 N ATOM 0 H GLN A 29 9.777 -3.181 -2.837 1.00 0.00 H new ATOM 0 HA GLN A 29 9.496 -5.320 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.662 -4.524 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.621 -5.011 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.871 -2.781 -2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.440 -2.093 -1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.065 -2.902 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.338 -2.868 -1.791 1.00 0.00 H new ATOM 453 N ALA A 30 9.053 -2.228 0.177 1.00 0.00 N ATOM 454 CA ALA A 30 8.510 -1.468 1.293 1.00 0.00 C ATOM 455 C ALA A 30 7.075 -1.877 1.595 1.00 0.00 C ATOM 456 O ALA A 30 6.705 -1.828 2.758 1.00 0.00 O ATOM 457 CB ALA A 30 8.580 0.044 1.051 1.00 0.00 C ATOM 0 H ALA A 30 9.336 -1.652 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 30 9.133 -1.701 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.164 0.570 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.619 0.342 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.007 0.297 0.159 1.00 0.00 H new ATOM 463 N ALA A 31 6.277 -2.298 0.609 1.00 0.00 N ATOM 464 CA ALA A 31 4.907 -2.774 0.770 1.00 0.00 C ATOM 465 C ALA A 31 4.863 -4.227 1.236 1.00 0.00 C ATOM 466 O ALA A 31 4.129 -4.558 2.163 1.00 0.00 O ATOM 467 CB ALA A 31 4.181 -2.684 -0.577 1.00 0.00 C ATOM 0 H ALA A 31 6.585 -2.316 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 31 4.426 -2.150 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.157 -3.039 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.171 -1.648 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.699 -3.301 -1.311 1.00 0.00 H new ATOM 473 N SER A 32 5.599 -5.144 0.612 1.00 0.00 N ATOM 474 CA SER A 32 5.614 -6.522 1.105 1.00 0.00 C ATOM 475 C SER A 32 6.042 -6.568 2.572 1.00 0.00 C ATOM 476 O SER A 32 5.480 -7.362 3.334 1.00 0.00 O ATOM 477 CB SER A 32 6.408 -7.428 0.158 1.00 0.00 C ATOM 478 OG SER A 32 7.663 -6.883 -0.171 1.00 0.00 O ATOM 0 H SER A 32 6.176 -4.969 -0.210 1.00 0.00 H new ATOM 0 HA SER A 32 4.604 -6.932 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.548 -8.404 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.834 -7.590 -0.754 1.00 0.00 H new ATOM 0 HG SER A 32 7.550 -6.192 -0.857 1.00 0.00 H new ATOM 484 N GLN A 33 6.889 -5.634 2.998 1.00 0.00 N ATOM 485 CA GLN A 33 7.277 -5.463 4.382 1.00 0.00 C ATOM 486 C GLN A 33 6.372 -4.457 5.114 1.00 0.00 C ATOM 487 O GLN A 33 6.352 -4.498 6.341 1.00 0.00 O ATOM 488 CB GLN A 33 8.798 -5.302 4.520 1.00 0.00 C ATOM 489 CG GLN A 33 9.527 -6.608 4.109 1.00 0.00 C ATOM 490 CD GLN A 33 9.122 -7.814 4.974 1.00 0.00 C ATOM 491 OE1 GLN A 33 8.269 -8.628 4.602 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.666 -7.892 6.179 1.00 0.00 N ATOM 0 H GLN A 33 7.331 -4.963 2.370 1.00 0.00 H new ATOM 0 HA GLN A 33 7.085 -6.379 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.140 -4.477 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.050 -5.048 5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.309 -6.827 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.604 -6.457 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.368 -7.210 6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.383 -8.634 6.819 1.00 0.00 H new ATOM 501 N VAL A 34 5.600 -3.580 4.444 1.00 0.00 N ATOM 502 CA VAL A 34 4.630 -2.697 5.119 1.00 0.00 C ATOM 503 C VAL A 34 3.652 -3.642 5.813 1.00 0.00 C ATOM 504 O VAL A 34 3.268 -3.428 6.960 1.00 0.00 O ATOM 505 CB VAL A 34 3.806 -1.725 4.227 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.534 -2.182 3.477 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.411 -0.519 5.048 1.00 0.00 C ATOM 0 H VAL A 34 5.630 -3.464 3.431 1.00 0.00 H new ATOM 0 HA VAL A 34 5.205 -2.033 5.765 1.00 0.00 H new ATOM 0 HB VAL A 34 4.518 -1.568 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.121 -1.343 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.787 -2.988 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.796 -2.537 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.833 0.168 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.807 -0.839 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.308 -0.015 5.409 1.00 0.00 H new ATOM 517 N CYS A 35 3.320 -4.745 5.128 1.00 0.00 N ATOM 518 CA CYS A 35 2.400 -5.735 5.622 1.00 0.00 C ATOM 519 C CYS A 35 3.063 -6.418 6.799 1.00 0.00 C ATOM 520 O CYS A 35 2.407 -6.653 7.802 1.00 0.00 O ATOM 521 CB CYS A 35 2.157 -6.815 4.552 1.00 0.00 C ATOM 522 SG CYS A 35 1.486 -6.311 2.951 1.00 0.00 S ATOM 0 H CYS A 35 3.697 -4.962 4.205 1.00 0.00 H new ATOM 0 HA CYS A 35 1.457 -5.258 5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.106 -7.319 4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.479 -7.555 4.977 1.00 0.00 H new ATOM 527 N ASP A 36 4.308 -6.861 6.628 1.00 0.00 N ATOM 528 CA ASP A 36 5.059 -7.503 7.712 1.00 0.00 C ATOM 529 C ASP A 36 5.084 -6.676 8.999 1.00 0.00 C ATOM 530 O ASP A 36 4.789 -7.172 10.085 1.00 0.00 O ATOM 531 CB ASP A 36 6.466 -7.834 7.248 1.00 0.00 C ATOM 532 CG ASP A 36 7.073 -8.942 8.107 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.377 -9.985 8.229 1.00 0.00 O ATOM 534 OD2 ASP A 36 8.270 -8.836 8.429 1.00 0.00 O ATOM 0 H ASP A 36 4.820 -6.788 5.749 1.00 0.00 H new ATOM 0 HA ASP A 36 4.535 -8.426 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.446 -8.147 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.091 -6.942 7.301 1.00 0.00 H new ATOM 539 N LYS A 37 5.365 -5.378 8.851 1.00 0.00 N ATOM 540 CA LYS A 37 5.565 -4.448 9.956 1.00 0.00 C ATOM 541 C LYS A 37 4.211 -4.155 10.596 1.00 0.00 C ATOM 542 O LYS A 37 4.122 -4.058 11.821 1.00 0.00 O ATOM 543 CB LYS A 37 6.266 -3.195 9.400 1.00 0.00 C ATOM 544 CG LYS A 37 6.968 -2.371 10.489 1.00 0.00 C ATOM 545 CD LYS A 37 7.733 -1.153 9.941 1.00 0.00 C ATOM 546 CE LYS A 37 8.866 -1.533 8.967 1.00 0.00 C ATOM 547 NZ LYS A 37 9.567 -0.352 8.404 1.00 0.00 N ATOM 0 H LYS A 37 5.461 -4.938 7.936 1.00 0.00 H new ATOM 0 HA LYS A 37 6.202 -4.860 10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.998 -3.497 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.532 -2.568 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.225 -2.029 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.663 -3.014 11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.032 -0.491 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.153 -0.591 10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.588 -2.164 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.453 -2.126 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.350 -0.670 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.899 0.212 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.944 0.230 9.179 1.00 0.00 H new ATOM 561 N LEU A 38 3.153 -4.013 9.793 1.00 0.00 N ATOM 562 CA LEU A 38 1.787 -3.876 10.277 1.00 0.00 C ATOM 563 C LEU A 38 1.393 -5.312 10.638 1.00 0.00 C ATOM 564 O LEU A 38 0.594 -5.945 9.940 1.00 0.00 O ATOM 565 CB LEU A 38 0.864 -3.283 9.192 1.00 0.00 C ATOM 566 CG LEU A 38 1.130 -1.807 8.838 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.331 -1.444 7.583 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.722 -0.854 9.970 1.00 0.00 C ATOM 0 H LEU A 38 3.228 -3.990 8.776 1.00 0.00 H new ATOM 0 HA LEU A 38 1.699 -3.193 11.122 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.964 -3.881 8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.169 -3.379 9.525 1.00 0.00 H new ATOM 0 HG LEU A 38 2.202 -1.695 8.673 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.513 -0.401 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.643 -2.082 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.732 -1.590 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.929 0.174 9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.343 -0.965 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.290 -1.093 10.869 1.00 0.00 H new ATOM 580 N LYS A 39 1.831 -5.802 11.803 1.00 0.00 N ATOM 581 CA LYS A 39 1.610 -7.210 12.122 1.00 0.00 C ATOM 582 C LYS A 39 0.159 -7.365 12.554 1.00 0.00 C ATOM 583 O LYS A 39 -0.502 -6.392 12.909 1.00 0.00 O ATOM 584 CB LYS A 39 2.639 -7.711 13.153 1.00 0.00 C ATOM 585 CG LYS A 39 2.642 -6.982 14.511 1.00 0.00 C ATOM 586 CD LYS A 39 3.777 -7.518 15.401 1.00 0.00 C ATOM 587 CE LYS A 39 3.825 -6.779 16.747 1.00 0.00 C ATOM 588 NZ LYS A 39 4.939 -7.245 17.611 1.00 0.00 N ATOM 0 H LYS A 39 2.323 -5.264 12.516 1.00 0.00 H new ATOM 0 HA LYS A 39 1.769 -7.846 11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.458 -8.771 13.332 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.634 -7.627 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.767 -5.910 14.356 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.683 -7.122 15.009 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.634 -8.585 15.574 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.731 -7.404 14.886 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.932 -5.709 16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.879 -6.921 17.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.928 -6.716 18.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.825 -8.260 17.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.845 -7.085 17.126 1.00 0.00 H new ATOM 602 N ILE A 40 -0.345 -8.599 12.462 1.00 0.00 N ATOM 603 CA ILE A 40 -1.744 -9.001 12.669 1.00 0.00 C ATOM 604 C ILE A 40 -2.460 -8.624 11.359 1.00 0.00 C ATOM 605 O ILE A 40 -3.011 -9.490 10.681 1.00 0.00 O ATOM 606 CB ILE A 40 -2.422 -8.443 13.953 1.00 0.00 C ATOM 607 CG1 ILE A 40 -1.628 -8.877 15.209 1.00 0.00 C ATOM 608 CG2 ILE A 40 -3.885 -8.923 14.031 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.111 -8.225 16.510 1.00 0.00 C ATOM 0 H ILE A 40 0.248 -9.395 12.227 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.806 -10.070 12.872 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.422 -7.354 13.911 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.694 -9.960 15.311 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.576 -8.634 15.062 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.350 -8.527 14.934 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.431 -8.570 13.156 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.910 -10.012 14.058 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.504 -8.581 17.342 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.018 -7.142 16.430 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.154 -8.488 16.683 1.00 0.00 H new ATOM 621 N LEU A 41 -2.286 -7.388 10.873 1.00 0.00 N ATOM 622 CA LEU A 41 -2.868 -6.911 9.619 1.00 0.00 C ATOM 623 C LEU A 41 -1.997 -7.326 8.410 1.00 0.00 C ATOM 624 O LEU A 41 -2.331 -7.037 7.258 1.00 0.00 O ATOM 625 CB LEU A 41 -2.981 -5.377 9.743 1.00 0.00 C ATOM 626 CG LEU A 41 -3.967 -4.705 8.771 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.422 -5.088 9.068 1.00 0.00 C ATOM 628 CD2 LEU A 41 -3.830 -3.181 8.877 1.00 0.00 C ATOM 0 H LEU A 41 -1.726 -6.682 11.351 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.849 -7.353 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.280 -5.133 10.763 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.993 -4.944 9.588 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.721 -5.050 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.082 -4.590 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.540 -6.168 8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.680 -4.778 10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.528 -2.704 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.053 -2.866 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.812 -2.889 8.621 1.00 0.00 H new ATOM 640 N ARG A 42 -0.984 -8.171 8.650 1.00 0.00 N ATOM 641 CA ARG A 42 -0.103 -8.801 7.665 1.00 0.00 C ATOM 642 C ARG A 42 -0.940 -9.619 6.691 1.00 0.00 C ATOM 643 O ARG A 42 -0.644 -9.610 5.498 1.00 0.00 O ATOM 644 CB ARG A 42 0.939 -9.655 8.433 1.00 0.00 C ATOM 645 CG ARG A 42 1.856 -10.631 7.655 1.00 0.00 C ATOM 646 CD ARG A 42 2.715 -9.978 6.562 1.00 0.00 C ATOM 647 NE ARG A 42 4.095 -10.521 6.472 1.00 0.00 N ATOM 648 CZ ARG A 42 4.978 -10.298 5.483 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.578 -9.713 4.359 1.00 0.00 N ATOM 650 NH2 ARG A 42 6.252 -10.641 5.615 1.00 0.00 N ATOM 0 H ARG A 42 -0.745 -8.449 9.602 1.00 0.00 H new ATOM 0 HA ARG A 42 0.436 -8.062 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.585 -8.967 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.396 -10.240 9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.515 -11.131 8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.236 -11.402 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.221 -10.109 5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.769 -8.906 6.749 1.00 0.00 H new ATOM 0 HE ARG A 42 4.403 -11.122 7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.603 -9.434 4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.246 -9.543 3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.575 -11.081 6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.909 -10.465 4.855 1.00 0.00 H new ATOM 664 N GLY A 43 -1.983 -10.300 7.177 1.00 0.00 N ATOM 665 CA GLY A 43 -2.927 -11.038 6.350 1.00 0.00 C ATOM 666 C GLY A 43 -3.662 -10.127 5.368 1.00 0.00 C ATOM 667 O GLY A 43 -3.630 -10.369 4.160 1.00 0.00 O ATOM 0 H GLY A 43 -2.193 -10.351 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.396 -11.813 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.652 -11.542 6.989 1.00 0.00 H new ATOM 671 N LEU A 44 -4.321 -9.081 5.881 1.00 0.00 N ATOM 672 CA LEU A 44 -5.174 -8.185 5.100 1.00 0.00 C ATOM 673 C LEU A 44 -4.327 -7.522 4.015 1.00 0.00 C ATOM 674 O LEU A 44 -4.657 -7.585 2.832 1.00 0.00 O ATOM 675 CB LEU A 44 -5.837 -7.169 6.055 1.00 0.00 C ATOM 676 CG LEU A 44 -7.116 -6.462 5.560 1.00 0.00 C ATOM 677 CD1 LEU A 44 -6.920 -5.625 4.292 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.273 -7.445 5.357 1.00 0.00 C ATOM 0 H LEU A 44 -4.274 -8.831 6.869 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.976 -8.728 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.076 -7.686 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.100 -6.403 6.297 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.369 -5.768 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.866 -5.162 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.178 -4.849 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.576 -6.268 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.153 -6.904 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.989 -8.193 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.501 -7.938 6.302 1.00 0.00 H new ATOM 690 N CYS A 45 -3.191 -6.951 4.411 1.00 0.00 N ATOM 691 CA CYS A 45 -2.213 -6.385 3.511 1.00 0.00 C ATOM 692 C CYS A 45 -1.757 -7.398 2.454 1.00 0.00 C ATOM 693 O CYS A 45 -1.826 -7.078 1.270 1.00 0.00 O ATOM 694 CB CYS A 45 -1.090 -5.815 4.372 1.00 0.00 C ATOM 695 SG CYS A 45 0.157 -4.884 3.473 1.00 0.00 S ATOM 0 H CYS A 45 -2.927 -6.872 5.393 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.638 -5.576 2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.528 -5.168 5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.601 -6.636 4.896 1.00 0.00 H new ATOM 700 N LYS A 46 -1.359 -8.627 2.819 1.00 0.00 N ATOM 701 CA LYS A 46 -0.986 -9.644 1.822 1.00 0.00 C ATOM 702 C LYS A 46 -2.113 -9.885 0.812 1.00 0.00 C ATOM 703 O LYS A 46 -1.803 -10.066 -0.366 1.00 0.00 O ATOM 704 CB LYS A 46 -0.460 -10.946 2.455 1.00 0.00 C ATOM 705 CG LYS A 46 1.015 -10.765 2.861 1.00 0.00 C ATOM 706 CD LYS A 46 1.676 -12.003 3.486 1.00 0.00 C ATOM 707 CE LYS A 46 2.040 -13.088 2.456 1.00 0.00 C ATOM 708 NZ LYS A 46 2.947 -14.127 3.013 1.00 0.00 N ATOM 0 H LYS A 46 -1.287 -8.939 3.787 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.143 -9.238 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.059 -11.205 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.554 -11.770 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.585 -10.474 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.082 -9.940 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.579 -11.696 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.002 -12.429 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.127 -13.563 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.516 -12.620 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.160 -14.832 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.831 -13.681 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.485 -14.595 3.819 1.00 0.00 H new ATOM 722 N LYS A 47 -3.392 -9.897 1.221 1.00 0.00 N ATOM 723 CA LYS A 47 -4.497 -9.985 0.259 1.00 0.00 C ATOM 724 C LYS A 47 -4.391 -8.834 -0.735 1.00 0.00 C ATOM 725 O LYS A 47 -4.391 -9.118 -1.929 1.00 0.00 O ATOM 726 CB LYS A 47 -5.871 -10.091 0.926 1.00 0.00 C ATOM 727 CG LYS A 47 -7.038 -9.924 -0.066 1.00 0.00 C ATOM 728 CD LYS A 47 -7.114 -10.864 -1.288 1.00 0.00 C ATOM 729 CE LYS A 47 -7.971 -10.278 -2.431 1.00 0.00 C ATOM 730 NZ LYS A 47 -9.426 -10.225 -2.158 1.00 0.00 N ATOM 0 H LYS A 47 -3.682 -9.848 2.198 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.403 -10.921 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.956 -11.060 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.951 -9.331 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.966 -10.035 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.011 -8.900 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.107 -11.058 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.531 -11.823 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.620 -9.269 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.807 -10.872 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.919 -9.818 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.781 -11.186 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.601 -9.633 -1.321 1.00 0.00 H new ATOM 744 N ILE A 48 -4.322 -7.579 -0.281 1.00 0.00 N ATOM 745 CA ILE A 48 -4.262 -6.417 -1.171 1.00 0.00 C ATOM 746 C ILE A 48 -3.085 -6.589 -2.143 1.00 0.00 C ATOM 747 O ILE A 48 -3.292 -6.534 -3.355 1.00 0.00 O ATOM 748 CB ILE A 48 -4.212 -5.085 -0.374 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.460 -4.939 0.531 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.124 -3.888 -1.340 1.00 0.00 C ATOM 751 CD1 ILE A 48 -5.486 -3.667 1.392 1.00 0.00 C ATOM 0 H ILE A 48 -4.306 -7.341 0.711 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.177 -6.360 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.324 -5.100 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.351 -4.954 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.519 -5.807 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.090 -2.961 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.222 -3.975 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.998 -3.881 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.396 -3.652 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.618 -3.656 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.463 -2.790 0.746 1.00 0.00 H new ATOM 763 N MET A 49 -1.882 -6.850 -1.623 1.00 0.00 N ATOM 764 CA MET A 49 -0.670 -6.973 -2.429 1.00 0.00 C ATOM 765 C MET A 49 -0.765 -8.111 -3.441 1.00 0.00 C ATOM 766 O MET A 49 -0.252 -7.930 -4.533 1.00 0.00 O ATOM 767 CB MET A 49 0.583 -7.121 -1.548 1.00 0.00 C ATOM 768 CG MET A 49 0.779 -5.963 -0.557 1.00 0.00 C ATOM 769 SD MET A 49 0.584 -4.294 -1.233 1.00 0.00 S ATOM 770 CE MET A 49 0.349 -3.369 0.309 1.00 0.00 C ATOM 0 H MET A 49 -1.724 -6.982 -0.624 1.00 0.00 H new ATOM 0 HA MET A 49 -0.575 -6.045 -2.993 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.518 -8.056 -0.992 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.461 -7.192 -2.189 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.069 -6.087 0.261 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.777 -6.045 -0.127 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.177 -2.317 0.080 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.511 -3.769 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.240 -3.464 0.930 1.00 0.00 H new ATOM 780 N ARG A 50 -1.403 -9.262 -3.173 1.00 0.00 N ATOM 781 CA ARG A 50 -1.550 -10.248 -4.258 1.00 0.00 C ATOM 782 C ARG A 50 -2.606 -9.801 -5.258 1.00 0.00 C ATOM 783 O ARG A 50 -2.422 -9.970 -6.456 1.00 0.00 O ATOM 784 CB ARG A 50 -1.878 -11.655 -3.739 1.00 0.00 C ATOM 785 CG ARG A 50 -1.767 -12.674 -4.899 1.00 0.00 C ATOM 786 CD ARG A 50 -1.698 -14.141 -4.451 1.00 0.00 C ATOM 787 NE ARG A 50 -1.864 -15.081 -5.583 1.00 0.00 N ATOM 788 CZ ARG A 50 -0.960 -15.421 -6.520 1.00 0.00 C ATOM 789 NH1 ARG A 50 0.261 -14.887 -6.521 1.00 0.00 N ATOM 790 NH2 ARG A 50 -1.287 -16.305 -7.461 1.00 0.00 N ATOM 0 H ARG A 50 -1.804 -9.525 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.583 -10.304 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.193 -11.926 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.884 -11.674 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.625 -12.549 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.877 -12.444 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.740 -14.326 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.473 -14.329 -3.708 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.778 -15.527 -5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.522 -14.210 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.934 -15.156 -7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.219 -16.720 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.606 -16.567 -8.174 1.00 0.00 H new ATOM 804 N SER A 51 -3.719 -9.289 -4.744 1.00 0.00 N ATOM 805 CA SER A 51 -4.894 -8.928 -5.523 1.00 0.00 C ATOM 806 C SER A 51 -4.558 -7.884 -6.585 1.00 0.00 C ATOM 807 O SER A 51 -4.900 -8.078 -7.746 1.00 0.00 O ATOM 808 CB SER A 51 -5.974 -8.414 -4.558 1.00 0.00 C ATOM 809 OG SER A 51 -7.292 -8.465 -5.070 1.00 0.00 O ATOM 0 H SER A 51 -3.830 -9.109 -3.746 1.00 0.00 H new ATOM 0 HA SER A 51 -5.264 -9.805 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.932 -9.000 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.742 -7.383 -4.289 1.00 0.00 H new ATOM 0 HG SER A 51 -7.474 -7.652 -5.587 1.00 0.00 H new ATOM 815 N PHE A 52 -3.899 -6.786 -6.204 1.00 0.00 N ATOM 816 CA PHE A 52 -3.644 -5.663 -7.095 1.00 0.00 C ATOM 817 C PHE A 52 -2.212 -5.168 -6.860 1.00 0.00 C ATOM 818 O PHE A 52 -2.001 -3.985 -6.605 1.00 0.00 O ATOM 819 CB PHE A 52 -4.703 -4.563 -6.836 1.00 0.00 C ATOM 820 CG PHE A 52 -6.143 -4.986 -6.580 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.850 -5.757 -7.524 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.805 -4.539 -5.418 1.00 0.00 C ATOM 823 CE1 PHE A 52 -8.195 -6.098 -7.298 1.00 0.00 C ATOM 824 CE2 PHE A 52 -8.158 -4.858 -5.205 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.853 -5.638 -6.144 1.00 0.00 C ATOM 0 H PHE A 52 -3.528 -6.656 -5.263 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.728 -5.957 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.371 -3.979 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.702 -3.893 -7.696 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.356 -6.088 -8.426 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.271 -3.949 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.723 -6.714 -8.011 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.663 -4.503 -4.319 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.892 -5.884 -5.980 1.00 0.00 H new ATOM 835 N LEU A 53 -1.208 -6.033 -7.044 1.00 0.00 N ATOM 836 CA LEU A 53 0.181 -5.710 -6.704 1.00 0.00 C ATOM 837 C LEU A 53 0.658 -4.472 -7.466 1.00 0.00 C ATOM 838 O LEU A 53 0.947 -3.445 -6.854 1.00 0.00 O ATOM 839 CB LEU A 53 1.084 -6.927 -6.992 1.00 0.00 C ATOM 840 CG LEU A 53 2.400 -6.877 -6.185 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.075 -8.248 -6.262 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.382 -5.786 -6.612 1.00 0.00 C ATOM 0 H LEU A 53 -1.334 -6.969 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 53 0.239 -5.478 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.545 -7.843 -6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.313 -6.964 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 53 2.122 -6.619 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.006 -8.227 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.412 -9.004 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.288 -8.491 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.273 -5.833 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.662 -5.937 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.912 -4.809 -6.500 1.00 0.00 H new ATOM 854 N ARG A 54 0.682 -4.526 -8.803 1.00 0.00 N ATOM 855 CA ARG A 54 1.156 -3.402 -9.611 1.00 0.00 C ATOM 856 C ARG A 54 0.299 -2.150 -9.393 1.00 0.00 C ATOM 857 O ARG A 54 0.806 -1.046 -9.581 1.00 0.00 O ATOM 858 CB ARG A 54 1.219 -3.801 -11.101 1.00 0.00 C ATOM 859 CG ARG A 54 2.111 -2.886 -11.967 1.00 0.00 C ATOM 860 CD ARG A 54 3.609 -3.180 -11.785 1.00 0.00 C ATOM 861 NE ARG A 54 4.461 -2.172 -12.433 1.00 0.00 N ATOM 862 CZ ARG A 54 4.817 -2.053 -13.718 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.344 -2.891 -14.641 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.650 -1.087 -14.077 1.00 0.00 N ATOM 0 H ARG A 54 0.379 -5.335 -9.345 1.00 0.00 H new ATOM 0 HA ARG A 54 2.166 -3.150 -9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.588 -4.824 -11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.208 -3.796 -11.509 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.844 -3.012 -13.016 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.915 -1.845 -11.711 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.842 -3.219 -10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.836 -4.163 -12.197 1.00 0.00 H new ATOM 0 HE ARG A 54 4.837 -1.457 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.701 -3.636 -14.372 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.625 -2.787 -15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.015 -0.441 -13.376 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.927 -0.989 -15.054 1.00 0.00 H new ATOM 878 N ARG A 55 -0.977 -2.272 -8.982 1.00 0.00 N ATOM 879 CA ARG A 55 -1.757 -1.101 -8.665 1.00 0.00 C ATOM 880 C ARG A 55 -1.131 -0.429 -7.424 1.00 0.00 C ATOM 881 O ARG A 55 -0.909 0.774 -7.440 1.00 0.00 O ATOM 882 CB ARG A 55 -3.247 -1.442 -8.454 1.00 0.00 C ATOM 883 CG ARG A 55 -4.142 -1.820 -9.667 1.00 0.00 C ATOM 884 CD ARG A 55 -4.551 -0.746 -10.710 1.00 0.00 C ATOM 885 NE ARG A 55 -5.718 0.110 -10.357 1.00 0.00 N ATOM 886 CZ ARG A 55 -7.042 -0.129 -10.447 1.00 0.00 C ATOM 887 NH1 ARG A 55 -7.474 -1.335 -10.811 1.00 0.00 N ATOM 888 NH2 ARG A 55 -7.942 0.816 -10.161 1.00 0.00 N ATOM 0 H ARG A 55 -1.466 -3.160 -8.869 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.734 -0.405 -9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.292 -2.272 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.709 -0.584 -7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.630 -2.616 -10.209 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.062 -2.247 -9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.693 -0.098 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.769 -1.250 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.475 1.029 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.804 -2.075 -11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.475 -1.519 -10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.633 1.742 -9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.938 0.611 -10.237 1.00 0.00 H new ATOM 902 N ILE A 56 -0.799 -1.149 -6.353 1.00 0.00 N ATOM 903 CA ILE A 56 -0.247 -0.481 -5.164 1.00 0.00 C ATOM 904 C ILE A 56 1.058 0.249 -5.514 1.00 0.00 C ATOM 905 O ILE A 56 1.316 1.308 -4.944 1.00 0.00 O ATOM 906 CB ILE A 56 -0.111 -1.465 -3.985 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.437 -2.205 -3.682 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.358 -0.729 -2.718 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.719 -1.371 -3.850 1.00 0.00 C ATOM 0 H ILE A 56 -0.896 -2.162 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.946 0.285 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 56 0.631 -2.206 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.503 -3.075 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.399 -2.577 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.448 -1.440 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.327 -0.265 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.368 0.040 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.587 -1.986 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.687 -0.514 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.793 -1.021 -4.880 1.00 0.00 H new ATOM 921 N SER A 57 1.787 -0.216 -6.531 1.00 0.00 N ATOM 922 CA SER A 57 2.974 0.471 -6.996 1.00 0.00 C ATOM 923 C SER A 57 2.565 1.800 -7.646 1.00 0.00 C ATOM 924 O SER A 57 2.903 2.845 -7.099 1.00 0.00 O ATOM 925 CB SER A 57 3.755 -0.457 -7.928 1.00 0.00 C ATOM 926 OG SER A 57 5.088 -0.040 -8.031 1.00 0.00 O ATOM 0 H SER A 57 1.567 -1.070 -7.044 1.00 0.00 H new ATOM 0 HA SER A 57 3.641 0.721 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.716 -1.479 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.293 -0.464 -8.915 1.00 0.00 H new ATOM 0 HG SER A 57 5.605 -0.715 -8.518 1.00 0.00 H new ATOM 932 N TRP A 58 1.756 1.801 -8.720 1.00 0.00 N ATOM 933 CA TRP A 58 1.223 3.025 -9.348 1.00 0.00 C ATOM 934 C TRP A 58 0.677 4.002 -8.306 1.00 0.00 C ATOM 935 O TRP A 58 0.953 5.199 -8.377 1.00 0.00 O ATOM 936 CB TRP A 58 0.189 2.703 -10.448 1.00 0.00 C ATOM 937 CG TRP A 58 -1.066 3.545 -10.531 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.192 4.817 -10.974 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.399 3.197 -10.072 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.522 5.211 -10.930 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.328 4.213 -10.419 1.00 0.00 C ATOM 942 CE3 TRP A 58 -2.903 2.125 -9.337 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.702 4.083 -10.128 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.207 2.076 -8.872 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.113 3.043 -9.267 1.00 0.00 C ATOM 0 H TRP A 58 1.450 0.944 -9.182 1.00 0.00 H new ATOM 0 HA TRP A 58 2.056 3.525 -9.842 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.697 2.770 -11.410 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.117 1.665 -10.321 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.375 5.437 -11.313 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.861 6.123 -11.236 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.247 1.295 -9.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.423 4.764 -10.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.515 1.286 -8.204 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.134 3.002 -8.917 1.00 0.00 H new ATOM 956 N ASP A 59 -0.143 3.504 -7.382 1.00 0.00 N ATOM 957 CA ASP A 59 -0.779 4.281 -6.330 1.00 0.00 C ATOM 958 C ASP A 59 0.241 5.131 -5.574 1.00 0.00 C ATOM 959 O ASP A 59 0.097 6.352 -5.527 1.00 0.00 O ATOM 960 CB ASP A 59 -1.558 3.354 -5.377 1.00 0.00 C ATOM 961 CG ASP A 59 -2.900 2.919 -5.950 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.643 3.764 -6.498 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.373 1.657 -5.809 1.00 0.00 O ATOM 0 H ASP A 59 -0.388 2.515 -7.348 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.489 4.967 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.956 2.471 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.721 3.867 -4.429 1.00 0.00 H new ATOM 969 N ILE A 60 1.231 4.491 -4.950 1.00 0.00 N ATOM 970 CA ILE A 60 2.330 5.167 -4.270 1.00 0.00 C ATOM 971 C ILE A 60 3.162 6.024 -5.237 1.00 0.00 C ATOM 972 O ILE A 60 3.469 7.162 -4.902 1.00 0.00 O ATOM 973 CB ILE A 60 3.132 4.138 -3.444 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.484 3.818 -2.077 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.563 4.587 -3.142 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.043 3.313 -2.095 1.00 0.00 C ATOM 0 H ILE A 60 1.290 3.474 -4.904 1.00 0.00 H new ATOM 0 HA ILE A 60 1.940 5.894 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 60 3.136 3.256 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.099 3.070 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.519 4.720 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.070 3.818 -2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.099 4.746 -4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.540 5.517 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.710 3.127 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.400 4.063 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.989 2.388 -2.669 1.00 0.00 H new ATOM 988 N LEU A 61 3.537 5.511 -6.414 1.00 0.00 N ATOM 989 CA LEU A 61 4.416 6.202 -7.366 1.00 0.00 C ATOM 990 C LEU A 61 3.814 7.528 -7.843 1.00 0.00 C ATOM 991 O LEU A 61 4.545 8.484 -8.069 1.00 0.00 O ATOM 992 CB LEU A 61 4.716 5.307 -8.586 1.00 0.00 C ATOM 993 CG LEU A 61 5.615 4.087 -8.301 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.544 3.101 -9.474 1.00 0.00 C ATOM 995 CD2 LEU A 61 7.082 4.463 -8.083 1.00 0.00 C ATOM 0 H LEU A 61 3.235 4.592 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 61 5.344 6.418 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.771 4.953 -8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.191 5.916 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 61 5.240 3.638 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.181 2.242 -9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.515 2.766 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.885 3.594 -10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.663 3.562 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.468 4.957 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.162 5.139 -7.231 1.00 0.00 H new ATOM 1007 N THR A 62 2.489 7.610 -7.984 1.00 0.00 N ATOM 1008 CA THR A 62 1.787 8.851 -8.327 1.00 0.00 C ATOM 1009 C THR A 62 1.525 9.729 -7.089 1.00 0.00 C ATOM 1010 O THR A 62 0.777 10.703 -7.175 1.00 0.00 O ATOM 1011 CB THR A 62 0.495 8.527 -9.113 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.331 7.548 -8.494 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.826 8.021 -10.522 1.00 0.00 C ATOM 0 H THR A 62 1.867 6.811 -7.862 1.00 0.00 H new ATOM 0 HA THR A 62 2.431 9.445 -8.975 1.00 0.00 H new ATOM 0 HB THR A 62 -0.053 9.469 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.025 6.654 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.098 7.800 -11.056 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.382 8.787 -11.062 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.430 7.116 -10.451 1.00 0.00 H new ATOM 1021 N GLY A 63 2.115 9.384 -5.936 1.00 0.00 N ATOM 1022 CA GLY A 63 1.924 9.967 -4.614 1.00 0.00 C ATOM 1023 C GLY A 63 0.453 10.278 -4.383 1.00 0.00 C ATOM 1024 O GLY A 63 0.090 11.298 -3.780 1.00 0.00 O ATOM 0 H GLY A 63 2.795 8.624 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.281 9.277 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.514 10.879 -4.522 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.413 9.307 -4.683 1.00 0.00 N ATOM 1029 CA LYS A 64 -1.839 9.546 -4.632 1.00 0.00 C ATOM 1030 C LYS A 64 -2.252 9.241 -3.208 1.00 0.00 C ATOM 1031 O LYS A 64 -1.696 8.372 -2.544 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.507 8.673 -5.695 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.028 8.879 -5.742 1.00 0.00 C ATOM 1034 CD LYS A 64 -4.649 8.213 -6.973 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.134 6.779 -7.117 1.00 0.00 C ATOM 1036 NZ LYS A 64 -4.899 6.010 -8.097 1.00 0.00 N ATOM 0 H LYS A 64 -0.147 8.362 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.140 10.568 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.081 8.902 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.290 7.625 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.479 8.468 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.251 9.946 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.735 8.209 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.404 8.786 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.085 6.800 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.182 6.279 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.434 5.094 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.862 5.850 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.947 6.538 -8.992 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.199 10.016 -2.697 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.559 9.894 -1.292 1.00 0.00 C ATOM 1052 C LYS A 65 -4.325 8.583 -1.031 1.00 0.00 C ATOM 1053 O LYS A 65 -5.066 8.119 -1.900 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.267 11.203 -0.879 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.410 12.477 -1.118 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.316 12.820 -0.084 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.228 11.774 0.216 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.291 11.456 -0.891 1.00 0.00 N ATOM 0 H LYS A 65 -3.721 10.720 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.689 9.795 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.200 11.293 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.531 11.146 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.930 12.378 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.088 13.328 -1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.817 13.729 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.813 13.059 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.644 12.124 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.718 10.850 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.173 10.545 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.818 11.397 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.429 12.203 -0.962 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.343 8.087 0.217 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.903 6.798 0.619 1.00 0.00 C ATOM 1074 C PRO A 66 -6.404 6.709 0.411 1.00 0.00 C ATOM 1075 O PRO A 66 -6.896 5.710 -0.107 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.522 6.605 2.093 1.00 0.00 C ATOM 1077 CG PRO A 66 -4.272 8.033 2.565 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.623 8.643 1.337 1.00 0.00 C ATOM 0 HA PRO A 66 -4.496 6.003 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.321 6.126 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.635 5.981 2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.196 8.543 2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.618 8.069 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.695 9.730 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.563 8.395 1.287 1.00 0.00 H new ATOM 1086 N GLN A 67 -7.138 7.723 0.872 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.591 7.717 0.841 1.00 0.00 C ATOM 1088 C GLN A 67 -9.093 7.575 -0.600 1.00 0.00 C ATOM 1089 O GLN A 67 -10.105 6.916 -0.820 1.00 0.00 O ATOM 1090 CB GLN A 67 -9.100 9.010 1.505 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.550 8.897 1.997 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.667 7.910 3.160 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.908 7.980 4.126 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.583 6.958 3.082 1.00 0.00 N ATOM 0 H GLN A 67 -6.736 8.569 1.276 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.980 6.863 1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.454 9.259 2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.026 9.832 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.907 9.878 2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.190 8.573 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.205 6.913 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.667 6.269 3.829 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.351 8.124 -1.569 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.654 7.960 -2.976 1.00 0.00 C ATOM 1105 C ALA A 68 -8.180 6.585 -3.441 1.00 0.00 C ATOM 1106 O ALA A 68 -8.930 5.924 -4.147 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.976 9.066 -3.791 1.00 0.00 C ATOM 0 H ALA A 68 -7.524 8.694 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.731 8.033 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.209 8.935 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.339 10.038 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.897 9.013 -3.649 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.983 6.128 -3.039 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.464 4.830 -3.484 1.00 0.00 C ATOM 1115 C ILE A 69 -7.463 3.698 -3.211 1.00 0.00 C ATOM 1116 O ILE A 69 -7.761 2.913 -4.109 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.076 4.558 -2.845 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.007 5.456 -3.497 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.683 3.077 -2.999 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.681 5.511 -2.732 1.00 0.00 C ATOM 0 H ILE A 69 -6.362 6.637 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.330 4.864 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.138 4.790 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.815 5.098 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.404 6.467 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.707 2.910 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.426 2.450 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.638 2.821 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.984 6.164 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.856 5.899 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.258 4.509 -2.664 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.940 3.581 -1.974 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.848 2.521 -1.554 1.00 0.00 C ATOM 1134 C CYS A 70 -10.163 2.549 -2.326 1.00 0.00 C ATOM 1135 O CYS A 70 -10.702 1.480 -2.609 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.061 2.644 -0.043 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.501 2.554 0.876 1.00 0.00 S ATOM 0 H CYS A 70 -7.702 4.231 -1.225 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.404 1.552 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.557 3.590 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.726 1.849 0.295 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.696 3.737 -2.615 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.893 3.862 -3.437 1.00 0.00 C ATOM 1144 C VAL A 71 -11.579 3.425 -4.876 1.00 0.00 C ATOM 1145 O VAL A 71 -12.270 2.563 -5.407 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.497 5.273 -3.260 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.671 5.586 -4.198 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -13.021 5.430 -1.816 1.00 0.00 C ATOM 0 H VAL A 71 -10.315 4.625 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.684 3.185 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.687 5.963 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.032 6.596 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.339 5.512 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.477 4.873 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.447 6.425 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.788 4.680 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.198 5.296 -1.114 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.498 3.927 -5.473 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.085 3.674 -6.858 1.00 0.00 C ATOM 1160 C ASP A 72 -9.968 2.174 -7.159 1.00 0.00 C ATOM 1161 O ASP A 72 -10.489 1.673 -8.158 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.761 4.423 -7.068 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.160 4.378 -8.469 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.272 3.361 -9.189 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.364 5.311 -8.726 1.00 0.00 O ATOM 0 H ASP A 72 -9.855 4.550 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.837 4.038 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.915 5.468 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.028 4.018 -6.371 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.278 1.433 -6.288 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.049 0.000 -6.493 1.00 0.00 C ATOM 1172 C ILE A 73 -10.165 -0.877 -5.895 1.00 0.00 C ATOM 1173 O ILE A 73 -10.092 -2.100 -6.003 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.637 -0.387 -6.034 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.522 -0.346 -4.501 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.607 0.508 -6.752 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.090 -0.173 -4.016 1.00 0.00 C ATOM 0 H ILE A 73 -8.867 1.803 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.100 -0.202 -7.563 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.424 -1.419 -6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.131 0.473 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.931 -1.267 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.602 0.237 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.692 0.368 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.798 1.552 -6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.075 -0.151 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.483 -1.006 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.685 0.762 -4.403 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.182 -0.261 -5.285 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.406 -0.819 -4.760 1.00 0.00 C ATOM 1191 C LYS A 74 -12.214 -1.697 -3.530 1.00 0.00 C ATOM 1192 O LYS A 74 -12.175 -2.928 -3.606 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.235 -1.406 -5.909 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.651 -1.628 -5.399 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.608 -2.148 -6.467 1.00 0.00 C ATOM 1196 CE LYS A 74 -16.964 -2.617 -5.907 1.00 0.00 C ATOM 1197 NZ LYS A 74 -17.931 -1.516 -5.681 1.00 0.00 N ATOM 0 H LYS A 74 -11.152 0.748 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.011 -0.019 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.239 -0.727 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.801 -2.346 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.624 -2.336 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.037 -0.689 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.781 -1.362 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.136 -2.978 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.402 -3.337 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.796 -3.140 -4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.819 -1.905 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.533 -0.839 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.120 -1.030 -6.581 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.079 -1.038 -2.379 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.849 -1.656 -1.080 1.00 0.00 C ATOM 1213 C ILE A 75 -12.637 -0.945 0.044 1.00 0.00 C ATOM 1214 O ILE A 75 -12.894 -1.556 1.087 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.316 -1.646 -0.826 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.545 -2.433 -1.918 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.954 -2.239 0.542 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.045 -2.619 -1.667 1.00 0.00 C ATOM 0 H ILE A 75 -12.129 -0.021 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.216 -2.682 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.021 -0.597 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.002 -3.417 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.675 -1.919 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.873 -2.211 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.432 -1.656 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.300 -3.271 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.605 -3.182 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.564 -1.643 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.897 -3.165 -0.735 1.00 0.00 H new