USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 622 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 15 SER OG : rot 40:sc= -0.0621 USER MOD Set 1.2: A 19 GLN : amide:sc= -0.0332 X(o=-0.095,f=-0.36) USER MOD Single : A 6 TYR OH : rot -55:sc= 0.437 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.2) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.561 (180deg=-2.83!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00734 X(o=-0.0073,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0888) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= -0.202 (180deg=-1.88) USER MOD Single : A 86 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.9) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.357 11.542 5.353 1.00 0.00 N ATOM 19 CA ARG A 2 -4.456 10.778 6.021 1.00 0.00 C ATOM 20 C ARG A 2 -4.041 9.313 6.172 1.00 0.00 C ATOM 21 O ARG A 2 -3.038 8.882 5.630 1.00 0.00 O ATOM 22 CB ARG A 2 -5.754 10.856 5.194 1.00 0.00 C ATOM 23 CG ARG A 2 -5.904 12.239 4.543 1.00 0.00 C ATOM 24 CD ARG A 2 -7.383 12.627 4.498 1.00 0.00 C ATOM 25 NE ARG A 2 -7.907 12.749 5.894 1.00 0.00 N ATOM 26 CZ ARG A 2 -7.591 13.774 6.662 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.797 14.729 6.238 1.00 0.00 N ATOM 28 NH2 ARG A 2 -8.077 13.837 7.871 1.00 0.00 N ATOM 0 HA ARG A 2 -4.637 11.217 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.746 10.085 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.612 10.656 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.340 12.981 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.491 12.224 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.507 13.571 3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.951 11.876 3.949 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.523 12.023 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.409 14.689 5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.568 15.511 6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.693 13.099 8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.841 14.624 8.475 1.00 0.00 H new ATOM 42 N LEU A 3 -4.806 8.549 6.911 1.00 0.00 N ATOM 43 CA LEU A 3 -4.469 7.110 7.114 1.00 0.00 C ATOM 44 C LEU A 3 -5.444 6.238 6.317 1.00 0.00 C ATOM 45 O LEU A 3 -6.451 5.792 6.834 1.00 0.00 O ATOM 46 CB LEU A 3 -4.580 6.766 8.601 1.00 0.00 C ATOM 47 CG LEU A 3 -3.703 7.717 9.418 1.00 0.00 C ATOM 48 CD1 LEU A 3 -4.210 7.769 10.860 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.258 7.210 9.405 1.00 0.00 C ATOM 0 H LEU A 3 -5.653 8.863 7.384 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.451 6.924 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.618 6.844 8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.270 5.735 8.770 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.745 8.715 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.585 8.447 11.441 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.240 8.126 10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.167 6.771 11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.630 7.885 9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.219 6.212 9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.895 7.171 8.378 1.00 0.00 H new ATOM 61 N PHE A 4 -5.150 5.995 5.066 1.00 0.00 N ATOM 62 CA PHE A 4 -6.054 5.153 4.227 1.00 0.00 C ATOM 63 C PHE A 4 -5.529 3.716 4.191 1.00 0.00 C ATOM 64 O PHE A 4 -4.334 3.483 4.213 1.00 0.00 O ATOM 65 CB PHE A 4 -6.097 5.713 2.803 1.00 0.00 C ATOM 66 CG PHE A 4 -7.205 6.734 2.697 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.522 6.316 2.464 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.916 8.097 2.827 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.548 7.263 2.364 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.943 9.044 2.727 1.00 0.00 C ATOM 71 CZ PHE A 4 -9.259 8.627 2.496 1.00 0.00 C ATOM 0 H PHE A 4 -4.320 6.345 4.588 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.057 5.163 4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.140 6.171 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.261 4.907 2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.745 5.264 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.900 8.419 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.563 6.942 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.720 10.096 2.828 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.051 9.357 2.420 1.00 0.00 H new ATOM 81 N GLY A 5 -6.414 2.752 4.137 1.00 0.00 N ATOM 82 CA GLY A 5 -5.976 1.325 4.101 1.00 0.00 C ATOM 83 C GLY A 5 -6.769 0.567 3.033 1.00 0.00 C ATOM 84 O GLY A 5 -7.916 0.871 2.762 1.00 0.00 O ATOM 0 H GLY A 5 -7.424 2.894 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.909 1.268 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.128 0.863 5.077 1.00 0.00 H new ATOM 88 N TYR A 6 -6.159 -0.419 2.429 1.00 0.00 N ATOM 89 CA TYR A 6 -6.856 -1.216 1.374 1.00 0.00 C ATOM 90 C TYR A 6 -7.121 -2.630 1.909 1.00 0.00 C ATOM 91 O TYR A 6 -6.274 -3.223 2.549 1.00 0.00 O ATOM 92 CB TYR A 6 -5.959 -1.285 0.134 1.00 0.00 C ATOM 93 CG TYR A 6 -6.672 -2.007 -0.984 1.00 0.00 C ATOM 94 CD1 TYR A 6 -7.942 -1.585 -1.399 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.059 -3.097 -1.609 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.595 -2.256 -2.439 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.712 -3.770 -2.649 1.00 0.00 C ATOM 98 CZ TYR A 6 -7.981 -3.350 -3.063 1.00 0.00 C ATOM 99 OH TYR A 6 -8.623 -4.011 -4.089 1.00 0.00 O ATOM 0 H TYR A 6 -5.200 -0.709 2.622 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.805 -0.749 1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.690 -0.278 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.030 -1.801 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.416 -0.743 -0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.080 -3.421 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.573 -1.930 -2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.237 -4.612 -3.131 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.511 -4.297 -3.789 1.00 0.00 H new ATOM 109 N ALA A 7 -8.292 -3.167 1.660 1.00 0.00 N ATOM 110 CA ALA A 7 -8.610 -4.538 2.168 1.00 0.00 C ATOM 111 C ALA A 7 -9.460 -5.301 1.146 1.00 0.00 C ATOM 112 O ALA A 7 -10.002 -4.733 0.218 1.00 0.00 O ATOM 113 CB ALA A 7 -9.390 -4.428 3.481 1.00 0.00 C ATOM 0 H ALA A 7 -9.038 -2.717 1.129 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.676 -5.076 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.622 -5.427 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.787 -3.898 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.317 -3.881 3.309 1.00 0.00 H new ATOM 119 N ARG A 8 -9.586 -6.590 1.332 1.00 0.00 N ATOM 120 CA ARG A 8 -10.404 -7.423 0.402 1.00 0.00 C ATOM 121 C ARG A 8 -10.727 -8.752 1.088 1.00 0.00 C ATOM 122 O ARG A 8 -9.841 -9.497 1.462 1.00 0.00 O ATOM 123 CB ARG A 8 -9.625 -7.688 -0.889 1.00 0.00 C ATOM 124 CG ARG A 8 -10.527 -8.430 -1.880 1.00 0.00 C ATOM 125 CD ARG A 8 -10.122 -8.079 -3.313 1.00 0.00 C ATOM 126 NE ARG A 8 -8.771 -8.652 -3.603 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.343 -8.812 -4.840 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.078 -8.475 -5.874 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.156 -9.318 -5.042 1.00 0.00 N ATOM 0 H ARG A 8 -9.152 -7.106 2.097 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.325 -6.896 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.286 -6.747 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.735 -8.280 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.447 -9.506 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.569 -8.159 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.855 -8.474 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.106 -6.997 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.168 -8.925 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.007 -8.078 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.720 -8.610 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.573 -9.584 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.812 -9.447 -5.993 1.00 0.00 H new ATOM 143 N VAL A 9 -11.990 -9.049 1.263 1.00 0.00 N ATOM 144 CA VAL A 9 -12.380 -10.324 1.935 1.00 0.00 C ATOM 145 C VAL A 9 -11.861 -11.519 1.137 1.00 0.00 C ATOM 146 O VAL A 9 -12.074 -11.622 -0.056 1.00 0.00 O ATOM 147 CB VAL A 9 -13.906 -10.408 2.035 1.00 0.00 C ATOM 148 CG1 VAL A 9 -14.420 -9.263 2.911 1.00 0.00 C ATOM 149 CG2 VAL A 9 -14.526 -10.312 0.635 1.00 0.00 C ATOM 0 H VAL A 9 -12.770 -8.461 0.968 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.944 -10.343 2.934 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.188 -11.361 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.506 -9.320 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.985 -9.343 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.136 -8.309 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.612 -10.372 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.247 -9.363 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.160 -11.133 0.018 1.00 0.00 H new ATOM 159 N SER A 10 -11.188 -12.422 1.795 1.00 0.00 N ATOM 160 CA SER A 10 -10.657 -13.623 1.092 1.00 0.00 C ATOM 161 C SER A 10 -11.357 -14.878 1.629 1.00 0.00 C ATOM 162 O SER A 10 -11.476 -15.869 0.934 1.00 0.00 O ATOM 163 CB SER A 10 -9.153 -13.730 1.338 1.00 0.00 C ATOM 164 OG SER A 10 -8.557 -14.476 0.285 1.00 0.00 O ATOM 0 H SER A 10 -10.982 -12.379 2.793 1.00 0.00 H new ATOM 0 HA SER A 10 -10.844 -13.534 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.710 -12.736 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.963 -14.215 2.296 1.00 0.00 H new ATOM 0 HG SER A 10 -7.592 -14.545 0.439 1.00 0.00 H new ATOM 170 N THR A 11 -11.820 -14.840 2.856 1.00 0.00 N ATOM 171 CA THR A 11 -12.513 -16.027 3.434 1.00 0.00 C ATOM 172 C THR A 11 -14.012 -15.739 3.558 1.00 0.00 C ATOM 173 O THR A 11 -14.423 -14.605 3.721 1.00 0.00 O ATOM 174 CB THR A 11 -11.931 -16.341 4.818 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.631 -17.441 5.383 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.067 -15.123 5.737 1.00 0.00 C ATOM 0 H THR A 11 -11.746 -14.036 3.480 1.00 0.00 H new ATOM 0 HA THR A 11 -12.365 -16.885 2.778 1.00 0.00 H new ATOM 0 HB THR A 11 -10.875 -16.589 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.260 -17.645 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.650 -15.358 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.527 -14.280 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.120 -14.863 5.843 1.00 0.00 H new ATOM 184 N SER A 12 -14.827 -16.760 3.485 1.00 0.00 N ATOM 185 CA SER A 12 -16.300 -16.558 3.600 1.00 0.00 C ATOM 186 C SER A 12 -16.638 -16.048 5.002 1.00 0.00 C ATOM 187 O SER A 12 -17.609 -15.341 5.196 1.00 0.00 O ATOM 188 CB SER A 12 -17.017 -17.887 3.354 1.00 0.00 C ATOM 189 OG SER A 12 -17.082 -18.133 1.955 1.00 0.00 O ATOM 0 H SER A 12 -14.533 -17.727 3.350 1.00 0.00 H new ATOM 0 HA SER A 12 -16.625 -15.827 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.486 -18.698 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.021 -17.855 3.777 1.00 0.00 H new ATOM 0 HG SER A 12 -17.539 -18.985 1.793 1.00 0.00 H new ATOM 195 N GLN A 13 -15.841 -16.401 5.981 1.00 0.00 N ATOM 196 CA GLN A 13 -16.105 -15.941 7.376 1.00 0.00 C ATOM 197 C GLN A 13 -16.019 -14.411 7.431 1.00 0.00 C ATOM 198 O GLN A 13 -16.111 -13.741 6.418 1.00 0.00 O ATOM 199 CB GLN A 13 -15.065 -16.561 8.320 1.00 0.00 C ATOM 200 CG GLN A 13 -15.760 -17.100 9.573 1.00 0.00 C ATOM 201 CD GLN A 13 -14.756 -17.890 10.414 1.00 0.00 C ATOM 202 OE1 GLN A 13 -14.086 -17.335 11.261 1.00 0.00 O ATOM 203 NE2 GLN A 13 -14.624 -19.174 10.215 1.00 0.00 N ATOM 0 H GLN A 13 -15.016 -16.991 5.871 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.102 -16.254 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.534 -17.366 7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.321 -15.814 8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.171 -16.276 10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.597 -17.739 9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.187 -19.640 9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.958 -19.710 10.771 1.00 0.00 H new ATOM 212 N GLN A 14 -15.845 -13.853 8.603 1.00 0.00 N ATOM 213 CA GLN A 14 -15.754 -12.367 8.731 1.00 0.00 C ATOM 214 C GLN A 14 -14.410 -11.878 8.182 1.00 0.00 C ATOM 215 O GLN A 14 -13.594 -11.333 8.903 1.00 0.00 O ATOM 216 CB GLN A 14 -15.890 -11.974 10.207 1.00 0.00 C ATOM 217 CG GLN A 14 -14.795 -12.661 11.034 1.00 0.00 C ATOM 218 CD GLN A 14 -15.387 -13.171 12.352 1.00 0.00 C ATOM 219 OE1 GLN A 14 -16.368 -12.643 12.835 1.00 0.00 O ATOM 220 NE2 GLN A 14 -14.826 -14.183 12.957 1.00 0.00 N ATOM 0 H GLN A 14 -15.762 -14.366 9.481 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.558 -11.904 8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.813 -10.892 10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.873 -12.261 10.580 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.367 -13.491 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.984 -11.961 11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.002 -14.627 12.551 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.212 -14.530 13.835 1.00 0.00 H new ATOM 229 N SER A 15 -14.177 -12.066 6.909 1.00 0.00 N ATOM 230 CA SER A 15 -12.888 -11.621 6.307 1.00 0.00 C ATOM 231 C SER A 15 -12.777 -10.098 6.361 1.00 0.00 C ATOM 232 O SER A 15 -11.794 -9.571 6.834 1.00 0.00 O ATOM 233 CB SER A 15 -12.822 -12.075 4.853 1.00 0.00 C ATOM 234 OG SER A 15 -11.480 -11.984 4.388 1.00 0.00 O ATOM 0 H SER A 15 -14.827 -12.510 6.260 1.00 0.00 H new ATOM 0 HA SER A 15 -12.066 -12.061 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.180 -13.101 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.474 -11.456 4.237 1.00 0.00 H new ATOM 0 HG SER A 15 -10.868 -12.280 5.094 1.00 0.00 H new ATOM 240 N LEU A 16 -13.772 -9.387 5.873 1.00 0.00 N ATOM 241 CA LEU A 16 -13.726 -7.882 5.880 1.00 0.00 C ATOM 242 C LEU A 16 -13.320 -7.374 7.277 1.00 0.00 C ATOM 243 O LEU A 16 -12.527 -6.459 7.404 1.00 0.00 O ATOM 244 CB LEU A 16 -15.113 -7.334 5.468 1.00 0.00 C ATOM 245 CG LEU A 16 -15.249 -5.837 5.808 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.962 -5.109 4.667 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.062 -5.679 7.096 1.00 0.00 C ATOM 0 H LEU A 16 -14.619 -9.786 5.468 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.982 -7.528 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.261 -7.481 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.895 -7.897 5.978 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.256 -5.408 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.056 -4.051 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.385 -5.219 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.954 -5.538 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.159 -4.621 7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.053 -6.111 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.554 -6.192 7.912 1.00 0.00 H new ATOM 259 N ASP A 17 -13.847 -7.970 8.313 1.00 0.00 N ATOM 260 CA ASP A 17 -13.480 -7.537 9.691 1.00 0.00 C ATOM 261 C ASP A 17 -12.016 -7.917 9.949 1.00 0.00 C ATOM 262 O ASP A 17 -11.316 -7.260 10.698 1.00 0.00 O ATOM 263 CB ASP A 17 -14.396 -8.242 10.702 1.00 0.00 C ATOM 264 CG ASP A 17 -15.171 -7.202 11.516 1.00 0.00 C ATOM 265 OD1 ASP A 17 -16.233 -6.800 11.070 1.00 0.00 O ATOM 266 OD2 ASP A 17 -14.691 -6.826 12.573 1.00 0.00 O ATOM 0 H ASP A 17 -14.516 -8.738 8.264 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.600 -6.459 9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.091 -8.899 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.803 -8.869 11.368 1.00 0.00 H new ATOM 271 N ILE A 18 -11.552 -8.972 9.325 1.00 0.00 N ATOM 272 CA ILE A 18 -10.139 -9.411 9.511 1.00 0.00 C ATOM 273 C ILE A 18 -9.200 -8.447 8.768 1.00 0.00 C ATOM 274 O ILE A 18 -8.064 -8.259 9.165 1.00 0.00 O ATOM 275 CB ILE A 18 -9.984 -10.839 8.961 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.828 -11.800 9.807 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.516 -11.278 9.019 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.196 -13.043 8.984 1.00 0.00 C ATOM 0 H ILE A 18 -12.100 -9.552 8.689 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.880 -9.403 10.570 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.319 -10.856 7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.274 -12.095 10.698 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.734 -11.298 10.147 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.423 -12.291 8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.909 -10.599 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.170 -11.257 10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.795 -13.719 9.594 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.768 -12.742 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.286 -13.552 8.666 1.00 0.00 H new ATOM 290 N GLN A 19 -9.659 -7.839 7.701 1.00 0.00 N ATOM 291 CA GLN A 19 -8.777 -6.889 6.949 1.00 0.00 C ATOM 292 C GLN A 19 -8.788 -5.532 7.648 1.00 0.00 C ATOM 293 O GLN A 19 -7.749 -4.973 7.932 1.00 0.00 O ATOM 294 CB GLN A 19 -9.242 -6.720 5.487 1.00 0.00 C ATOM 295 CG GLN A 19 -9.759 -8.047 4.912 1.00 0.00 C ATOM 296 CD GLN A 19 -8.670 -9.121 4.999 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.508 -8.845 4.770 1.00 0.00 O ATOM 298 NE2 GLN A 19 -8.998 -10.340 5.325 1.00 0.00 N ATOM 0 H GLN A 19 -10.598 -7.957 7.320 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.767 -7.299 6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.029 -5.968 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.414 -6.355 4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.643 -8.370 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.062 -7.909 3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.973 -10.572 5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.280 -11.062 5.388 1.00 0.00 H new ATOM 307 N VAL A 20 -9.954 -4.999 7.944 1.00 0.00 N ATOM 308 CA VAL A 20 -10.033 -3.669 8.641 1.00 0.00 C ATOM 309 C VAL A 20 -9.149 -3.693 9.894 1.00 0.00 C ATOM 310 O VAL A 20 -8.308 -2.836 10.085 1.00 0.00 O ATOM 311 CB VAL A 20 -11.486 -3.387 9.045 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.579 -2.010 9.709 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.384 -3.418 7.800 1.00 0.00 C ATOM 0 H VAL A 20 -10.855 -5.428 7.733 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.685 -2.886 7.967 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.817 -4.151 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.612 -1.813 9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.947 -1.991 10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.244 -1.245 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.415 -3.217 8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.052 -2.658 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.323 -4.401 7.332 1.00 0.00 H new ATOM 323 N ARG A 21 -9.321 -4.686 10.734 1.00 0.00 N ATOM 324 CA ARG A 21 -8.477 -4.788 11.963 1.00 0.00 C ATOM 325 C ARG A 21 -7.006 -4.878 11.544 1.00 0.00 C ATOM 326 O ARG A 21 -6.122 -4.424 12.245 1.00 0.00 O ATOM 327 CB ARG A 21 -8.866 -6.040 12.755 1.00 0.00 C ATOM 328 CG ARG A 21 -8.780 -7.275 11.851 1.00 0.00 C ATOM 329 CD ARG A 21 -7.458 -8.009 12.097 1.00 0.00 C ATOM 330 NE ARG A 21 -7.703 -9.483 12.117 1.00 0.00 N ATOM 331 CZ ARG A 21 -8.404 -10.051 13.081 1.00 0.00 C ATOM 332 NH1 ARG A 21 -8.914 -9.348 14.065 1.00 0.00 N ATOM 333 NH2 ARG A 21 -8.595 -11.342 13.055 1.00 0.00 N ATOM 0 H ARG A 21 -10.010 -5.429 10.620 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.630 -3.911 12.591 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.204 -6.159 13.613 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.878 -5.934 13.146 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.619 -7.942 12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.851 -6.977 10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.740 -7.759 11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.023 -7.689 13.044 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.321 -10.063 11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.773 -8.338 14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.452 -9.811 14.798 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.204 -11.900 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.135 -11.793 13.794 1.00 0.00 H new ATOM 347 N ALA A 22 -6.747 -5.445 10.390 1.00 0.00 N ATOM 348 CA ALA A 22 -5.344 -5.550 9.901 1.00 0.00 C ATOM 349 C ALA A 22 -4.859 -4.149 9.520 1.00 0.00 C ATOM 350 O ALA A 22 -3.711 -3.802 9.728 1.00 0.00 O ATOM 351 CB ALA A 22 -5.296 -6.474 8.676 1.00 0.00 C ATOM 0 H ALA A 22 -7.452 -5.839 9.767 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.702 -5.965 10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.269 -6.551 8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.659 -7.464 8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.926 -6.064 7.886 1.00 0.00 H new ATOM 357 N LEU A 23 -5.735 -3.337 8.976 1.00 0.00 N ATOM 358 CA LEU A 23 -5.341 -1.951 8.595 1.00 0.00 C ATOM 359 C LEU A 23 -5.199 -1.113 9.867 1.00 0.00 C ATOM 360 O LEU A 23 -4.231 -0.399 10.044 1.00 0.00 O ATOM 361 CB LEU A 23 -6.418 -1.325 7.700 1.00 0.00 C ATOM 362 CG LEU A 23 -6.706 -2.239 6.508 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.847 -1.650 5.678 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.458 -2.360 5.634 1.00 0.00 C ATOM 0 H LEU A 23 -6.707 -3.579 8.781 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.397 -1.979 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.331 -1.164 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.087 -0.348 7.348 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.988 -3.226 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.053 -2.301 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.741 -1.567 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.562 -0.662 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.669 -3.012 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.172 -1.373 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.642 -2.781 6.221 1.00 0.00 H new ATOM 376 N LYS A 24 -6.161 -1.201 10.753 1.00 0.00 N ATOM 377 CA LYS A 24 -6.096 -0.415 12.024 1.00 0.00 C ATOM 378 C LYS A 24 -4.843 -0.828 12.801 1.00 0.00 C ATOM 379 O LYS A 24 -4.130 0.004 13.330 1.00 0.00 O ATOM 380 CB LYS A 24 -7.356 -0.692 12.860 1.00 0.00 C ATOM 381 CG LYS A 24 -8.185 0.589 12.990 1.00 0.00 C ATOM 382 CD LYS A 24 -9.231 0.638 11.873 1.00 0.00 C ATOM 383 CE LYS A 24 -10.334 -0.384 12.158 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.878 -0.160 13.527 1.00 0.00 N ATOM 0 H LYS A 24 -6.991 -1.785 10.650 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.047 0.651 11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.951 -1.475 12.389 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.075 -1.056 13.848 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.675 0.620 13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.535 1.462 12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.657 1.639 11.804 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.762 0.424 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.130 -0.291 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.937 -1.396 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.894 -0.381 13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.383 -0.776 14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.738 0.834 13.798 1.00 0.00 H new ATOM 398 N ASP A 25 -4.555 -2.106 12.846 1.00 0.00 N ATOM 399 CA ASP A 25 -3.334 -2.580 13.551 1.00 0.00 C ATOM 400 C ASP A 25 -2.112 -1.977 12.858 1.00 0.00 C ATOM 401 O ASP A 25 -1.120 -1.648 13.478 1.00 0.00 O ATOM 402 CB ASP A 25 -3.263 -4.103 13.458 1.00 0.00 C ATOM 403 CG ASP A 25 -2.448 -4.655 14.630 1.00 0.00 C ATOM 404 OD1 ASP A 25 -1.237 -4.498 14.609 1.00 0.00 O ATOM 405 OD2 ASP A 25 -3.047 -5.224 15.526 1.00 0.00 O ATOM 0 H ASP A 25 -5.119 -2.842 12.421 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.360 -2.279 14.598 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.268 -4.525 13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.806 -4.398 12.514 1.00 0.00 H new ATOM 410 N ALA A 26 -2.204 -1.829 11.564 1.00 0.00 N ATOM 411 CA ALA A 26 -1.088 -1.243 10.779 1.00 0.00 C ATOM 412 C ALA A 26 -1.008 0.256 11.060 1.00 0.00 C ATOM 413 O ALA A 26 0.057 0.845 11.056 1.00 0.00 O ATOM 414 CB ALA A 26 -1.378 -1.465 9.295 1.00 0.00 C ATOM 0 H ALA A 26 -3.020 -2.095 11.012 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.143 -1.712 11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.570 -1.042 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.455 -2.534 9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.317 -0.978 9.031 1.00 0.00 H new ATOM 420 N GLY A 27 -2.135 0.878 11.291 1.00 0.00 N ATOM 421 CA GLY A 27 -2.153 2.344 11.560 1.00 0.00 C ATOM 422 C GLY A 27 -3.095 3.007 10.561 1.00 0.00 C ATOM 423 O GLY A 27 -2.784 4.024 9.971 1.00 0.00 O ATOM 0 H GLY A 27 -3.050 0.428 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.485 2.538 12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.149 2.759 11.467 1.00 0.00 H new ATOM 427 N VAL A 28 -4.247 2.420 10.361 1.00 0.00 N ATOM 428 CA VAL A 28 -5.228 2.981 9.395 1.00 0.00 C ATOM 429 C VAL A 28 -6.501 3.383 10.145 1.00 0.00 C ATOM 430 O VAL A 28 -6.910 2.731 11.089 1.00 0.00 O ATOM 431 CB VAL A 28 -5.544 1.906 8.344 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.588 2.424 7.351 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.264 1.554 7.586 1.00 0.00 C ATOM 0 H VAL A 28 -4.549 1.567 10.832 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.820 3.863 8.902 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.939 1.023 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.802 1.652 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.503 2.679 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.203 3.311 6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.482 0.791 6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.876 2.445 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.520 1.174 8.286 1.00 0.00 H new ATOM 443 N LYS A 29 -7.129 4.453 9.728 1.00 0.00 N ATOM 444 CA LYS A 29 -8.377 4.910 10.405 1.00 0.00 C ATOM 445 C LYS A 29 -9.551 4.040 9.947 1.00 0.00 C ATOM 446 O LYS A 29 -9.669 3.709 8.781 1.00 0.00 O ATOM 447 CB LYS A 29 -8.640 6.376 10.034 1.00 0.00 C ATOM 448 CG LYS A 29 -8.246 7.282 11.205 1.00 0.00 C ATOM 449 CD LYS A 29 -7.929 8.685 10.681 1.00 0.00 C ATOM 450 CE LYS A 29 -8.387 9.728 11.702 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.754 11.040 11.391 1.00 0.00 N ATOM 0 H LYS A 29 -6.828 5.032 8.944 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.267 4.822 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.069 6.645 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.693 6.517 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.057 7.328 11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.379 6.870 11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.859 8.784 10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.430 8.850 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.473 9.822 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.115 9.411 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.065 11.749 12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.719 10.945 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.035 11.343 10.437 1.00 0.00 H new ATOM 465 N ALA A 30 -10.418 3.666 10.855 1.00 0.00 N ATOM 466 CA ALA A 30 -11.588 2.816 10.479 1.00 0.00 C ATOM 467 C ALA A 30 -12.461 3.566 9.470 1.00 0.00 C ATOM 468 O ALA A 30 -13.026 2.976 8.568 1.00 0.00 O ATOM 469 CB ALA A 30 -12.412 2.492 11.725 1.00 0.00 C ATOM 0 H ALA A 30 -10.365 3.914 11.843 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.230 1.888 10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.264 1.872 11.447 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.791 1.955 12.442 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.769 3.418 12.176 1.00 0.00 H new ATOM 475 N ASN A 31 -12.567 4.860 9.615 1.00 0.00 N ATOM 476 CA ASN A 31 -13.391 5.660 8.670 1.00 0.00 C ATOM 477 C ASN A 31 -12.756 5.613 7.274 1.00 0.00 C ATOM 478 O ASN A 31 -13.424 5.802 6.276 1.00 0.00 O ATOM 479 CB ASN A 31 -13.449 7.111 9.168 1.00 0.00 C ATOM 480 CG ASN A 31 -14.898 7.601 9.170 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.254 8.488 8.419 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.755 7.055 9.989 1.00 0.00 N ATOM 0 H ASN A 31 -12.114 5.398 10.353 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.400 5.251 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.032 7.177 10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.841 7.749 8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.724 7.373 9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.456 6.311 10.619 1.00 0.00 H new ATOM 489 N ARG A 32 -11.470 5.362 7.199 1.00 0.00 N ATOM 490 CA ARG A 32 -10.787 5.303 5.869 1.00 0.00 C ATOM 491 C ARG A 32 -10.369 3.856 5.581 1.00 0.00 C ATOM 492 O ARG A 32 -9.204 3.560 5.383 1.00 0.00 O ATOM 493 CB ARG A 32 -9.543 6.215 5.860 1.00 0.00 C ATOM 494 CG ARG A 32 -9.799 7.490 6.677 1.00 0.00 C ATOM 495 CD ARG A 32 -8.905 8.625 6.169 1.00 0.00 C ATOM 496 NE ARG A 32 -9.757 9.782 5.753 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.432 10.492 6.635 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.386 10.217 7.919 1.00 0.00 N ATOM 499 NH2 ARG A 32 -11.163 11.493 6.224 1.00 0.00 N ATOM 0 H ARG A 32 -10.864 5.195 8.003 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.476 5.650 5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.689 5.678 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.287 6.480 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.847 7.778 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.599 7.302 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.211 8.933 6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.304 8.280 5.327 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.817 10.027 4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.818 9.438 8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.918 10.782 8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.207 11.718 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.690 12.050 6.897 1.00 0.00 H new ATOM 513 N ILE A 33 -11.318 2.954 5.552 1.00 0.00 N ATOM 514 CA ILE A 33 -10.994 1.524 5.276 1.00 0.00 C ATOM 515 C ILE A 33 -11.640 1.109 3.950 1.00 0.00 C ATOM 516 O ILE A 33 -12.751 0.612 3.921 1.00 0.00 O ATOM 517 CB ILE A 33 -11.533 0.648 6.418 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.869 1.069 7.737 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.240 -0.833 6.141 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.352 0.845 7.669 1.00 0.00 C ATOM 0 H ILE A 33 -12.307 3.149 5.709 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.914 1.396 5.208 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.612 0.782 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.079 2.120 7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.291 0.496 8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.628 -1.440 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.720 -1.131 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.163 -0.982 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.897 1.148 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.148 -0.211 7.491 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.933 1.438 6.856 1.00 0.00 H new ATOM 532 N PHE A 34 -10.951 1.309 2.855 1.00 0.00 N ATOM 533 CA PHE A 34 -11.518 0.927 1.529 1.00 0.00 C ATOM 534 C PHE A 34 -11.266 -0.559 1.276 1.00 0.00 C ATOM 535 O PHE A 34 -10.331 -0.934 0.595 1.00 0.00 O ATOM 536 CB PHE A 34 -10.852 1.756 0.427 1.00 0.00 C ATOM 537 CG PHE A 34 -11.710 2.958 0.116 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.913 2.796 -0.581 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.305 4.235 0.525 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.712 3.909 -0.868 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.103 5.349 0.236 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.307 5.184 -0.460 1.00 0.00 C ATOM 0 H PHE A 34 -10.019 1.721 2.824 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.591 1.119 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.860 2.076 0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.718 1.150 -0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.225 1.812 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.377 4.361 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.641 3.783 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.790 6.334 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.924 6.042 -0.682 1.00 0.00 H new ATOM 552 N THR A 35 -12.100 -1.407 1.825 1.00 0.00 N ATOM 553 CA THR A 35 -11.922 -2.873 1.628 1.00 0.00 C ATOM 554 C THR A 35 -12.659 -3.312 0.361 1.00 0.00 C ATOM 555 O THR A 35 -13.209 -2.501 -0.362 1.00 0.00 O ATOM 556 CB THR A 35 -12.486 -3.626 2.841 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.350 -5.025 2.630 1.00 0.00 O ATOM 558 CG2 THR A 35 -13.966 -3.282 3.039 1.00 0.00 C ATOM 0 H THR A 35 -12.898 -1.143 2.403 1.00 0.00 H new ATOM 0 HA THR A 35 -10.861 -3.099 1.525 1.00 0.00 H new ATOM 0 HB THR A 35 -11.933 -3.330 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.708 -5.509 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.353 -3.823 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.071 -2.210 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.528 -3.568 2.150 1.00 0.00 H new ATOM 566 N ASP A 36 -12.672 -4.591 0.093 1.00 0.00 N ATOM 567 CA ASP A 36 -13.368 -5.105 -1.122 1.00 0.00 C ATOM 568 C ASP A 36 -14.243 -6.297 -0.734 1.00 0.00 C ATOM 569 O ASP A 36 -13.746 -7.333 -0.331 1.00 0.00 O ATOM 570 CB ASP A 36 -12.331 -5.547 -2.152 1.00 0.00 C ATOM 571 CG ASP A 36 -11.871 -4.335 -2.962 1.00 0.00 C ATOM 572 OD1 ASP A 36 -12.665 -3.831 -3.738 1.00 0.00 O ATOM 573 OD2 ASP A 36 -10.736 -3.930 -2.789 1.00 0.00 O ATOM 0 H ASP A 36 -12.227 -5.306 0.668 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.990 -4.319 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.479 -6.008 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.758 -6.300 -2.814 1.00 0.00 H new ATOM 578 N LYS A 37 -15.540 -6.158 -0.846 1.00 0.00 N ATOM 579 CA LYS A 37 -16.449 -7.282 -0.480 1.00 0.00 C ATOM 580 C LYS A 37 -16.426 -8.344 -1.588 1.00 0.00 C ATOM 581 O LYS A 37 -17.418 -8.602 -2.243 1.00 0.00 O ATOM 582 CB LYS A 37 -17.871 -6.751 -0.289 1.00 0.00 C ATOM 583 CG LYS A 37 -18.583 -7.569 0.794 1.00 0.00 C ATOM 584 CD LYS A 37 -17.888 -7.368 2.152 1.00 0.00 C ATOM 585 CE LYS A 37 -18.895 -6.837 3.177 1.00 0.00 C ATOM 586 NZ LYS A 37 -19.909 -7.888 3.467 1.00 0.00 N ATOM 0 H LYS A 37 -16.007 -5.313 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.112 -7.735 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.842 -5.699 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.422 -6.813 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.627 -7.265 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.576 -8.626 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.466 -8.312 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.059 -6.668 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.380 -6.551 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.383 -5.942 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.398 -7.663 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.601 -7.926 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.437 -8.811 3.555 1.00 0.00 H new ATOM 600 N ALA A 38 -15.288 -8.960 -1.795 1.00 0.00 N ATOM 601 CA ALA A 38 -15.156 -10.017 -2.852 1.00 0.00 C ATOM 602 C ALA A 38 -16.266 -11.075 -2.712 1.00 0.00 C ATOM 603 O ALA A 38 -16.606 -11.751 -3.663 1.00 0.00 O ATOM 604 CB ALA A 38 -13.793 -10.703 -2.698 1.00 0.00 C ATOM 0 H ALA A 38 -14.433 -8.774 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.243 -9.547 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.685 -11.474 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.999 -9.965 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.724 -11.159 -1.710 1.00 0.00 H new ATOM 661 N ASP A 44 -15.054 -8.099 -6.478 1.00 0.00 N ATOM 662 CA ASP A 44 -15.320 -6.660 -6.197 1.00 0.00 C ATOM 663 C ASP A 44 -13.997 -5.922 -5.993 1.00 0.00 C ATOM 664 O ASP A 44 -13.476 -5.862 -4.896 1.00 0.00 O ATOM 665 CB ASP A 44 -16.174 -6.538 -4.934 1.00 0.00 C ATOM 666 CG ASP A 44 -17.605 -6.979 -5.241 1.00 0.00 C ATOM 667 OD1 ASP A 44 -17.772 -8.092 -5.714 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.510 -6.198 -5.000 1.00 0.00 O ATOM 0 HA ASP A 44 -15.851 -6.219 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.755 -7.154 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.168 -5.508 -4.577 1.00 0.00 H new ATOM 673 N ARG A 45 -13.454 -5.361 -7.041 1.00 0.00 N ATOM 674 CA ARG A 45 -12.166 -4.619 -6.922 1.00 0.00 C ATOM 675 C ARG A 45 -12.441 -3.112 -6.999 1.00 0.00 C ATOM 676 O ARG A 45 -11.902 -2.411 -7.837 1.00 0.00 O ATOM 677 CB ARG A 45 -11.229 -5.036 -8.061 1.00 0.00 C ATOM 678 CG ARG A 45 -10.306 -6.157 -7.581 1.00 0.00 C ATOM 679 CD ARG A 45 -9.400 -6.599 -8.732 1.00 0.00 C ATOM 680 NE ARG A 45 -8.393 -5.528 -9.012 1.00 0.00 N ATOM 681 CZ ARG A 45 -7.350 -5.342 -8.225 1.00 0.00 C ATOM 682 NH1 ARG A 45 -7.151 -6.083 -7.160 1.00 0.00 N ATOM 683 NH2 ARG A 45 -6.497 -4.397 -8.513 1.00 0.00 N ATOM 0 H ARG A 45 -13.851 -5.386 -7.980 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.694 -4.852 -5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.811 -5.372 -8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.639 -4.181 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.703 -5.812 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.896 -7.001 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.895 -7.530 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.996 -6.795 -9.623 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.515 -4.929 -9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.811 -6.824 -6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.336 -5.918 -6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.641 -3.814 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.686 -4.242 -7.914 1.00 0.00 H new ATOM 697 N LYS A 46 -13.282 -2.612 -6.129 1.00 0.00 N ATOM 698 CA LYS A 46 -13.606 -1.153 -6.141 1.00 0.00 C ATOM 699 C LYS A 46 -12.912 -0.445 -4.968 1.00 0.00 C ATOM 700 O LYS A 46 -12.828 0.768 -4.936 1.00 0.00 O ATOM 701 CB LYS A 46 -15.120 -0.969 -6.018 1.00 0.00 C ATOM 702 CG LYS A 46 -15.824 -1.778 -7.108 1.00 0.00 C ATOM 703 CD LYS A 46 -17.194 -1.161 -7.394 1.00 0.00 C ATOM 704 CE LYS A 46 -18.247 -1.831 -6.510 1.00 0.00 C ATOM 705 NZ LYS A 46 -18.853 -2.978 -7.242 1.00 0.00 N ATOM 0 H LYS A 46 -13.760 -3.153 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.254 -0.719 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.458 -1.294 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.377 0.086 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.221 -1.788 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.939 -2.814 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.170 -0.089 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.451 -1.290 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.791 -2.178 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.019 -1.112 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.569 -3.434 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.301 -2.635 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.112 -3.668 -7.481 1.00 0.00 H new ATOM 719 N GLY A 47 -12.417 -1.186 -4.002 1.00 0.00 N ATOM 720 CA GLY A 47 -11.736 -0.553 -2.832 1.00 0.00 C ATOM 721 C GLY A 47 -10.554 0.294 -3.310 1.00 0.00 C ATOM 722 O GLY A 47 -10.215 1.291 -2.705 1.00 0.00 O ATOM 0 H GLY A 47 -12.457 -2.205 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.442 0.070 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.388 -1.323 -2.143 1.00 0.00 H new ATOM 726 N LEU A 48 -9.934 -0.087 -4.401 1.00 0.00 N ATOM 727 CA LEU A 48 -8.779 0.717 -4.921 1.00 0.00 C ATOM 728 C LEU A 48 -9.312 1.727 -5.937 1.00 0.00 C ATOM 729 O LEU A 48 -8.790 2.819 -6.067 1.00 0.00 O ATOM 730 CB LEU A 48 -7.678 -0.156 -5.588 1.00 0.00 C ATOM 731 CG LEU A 48 -8.172 -1.567 -5.939 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.146 -1.491 -7.120 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.973 -2.437 -6.323 1.00 0.00 C ATOM 0 H LEU A 48 -10.174 -0.912 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.312 1.214 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.328 0.338 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.823 -0.232 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.682 -2.001 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.496 -2.493 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.997 -0.866 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.639 -1.060 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.317 -3.441 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.468 -2.001 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.279 -2.490 -5.484 1.00 0.00 H new ATOM 745 N ASP A 49 -10.359 1.378 -6.643 1.00 0.00 N ATOM 746 CA ASP A 49 -10.946 2.323 -7.638 1.00 0.00 C ATOM 747 C ASP A 49 -11.464 3.556 -6.896 1.00 0.00 C ATOM 748 O ASP A 49 -11.374 4.670 -7.378 1.00 0.00 O ATOM 749 CB ASP A 49 -12.103 1.640 -8.373 1.00 0.00 C ATOM 750 CG ASP A 49 -12.136 2.114 -9.828 1.00 0.00 C ATOM 751 OD1 ASP A 49 -12.510 3.254 -10.050 1.00 0.00 O ATOM 752 OD2 ASP A 49 -11.788 1.328 -10.694 1.00 0.00 O ATOM 0 H ASP A 49 -10.832 0.477 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.189 2.618 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.983 0.557 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.048 1.873 -7.882 1.00 0.00 H new ATOM 757 N LEU A 50 -11.990 3.360 -5.713 1.00 0.00 N ATOM 758 CA LEU A 50 -12.503 4.507 -4.912 1.00 0.00 C ATOM 759 C LEU A 50 -11.335 5.114 -4.132 1.00 0.00 C ATOM 760 O LEU A 50 -11.241 6.316 -3.969 1.00 0.00 O ATOM 761 CB LEU A 50 -13.574 4.015 -3.935 1.00 0.00 C ATOM 762 CG LEU A 50 -14.684 3.298 -4.704 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.244 2.160 -3.850 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.804 4.291 -5.026 1.00 0.00 C ATOM 0 H LEU A 50 -12.085 2.448 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.943 5.256 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.130 3.339 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.988 4.857 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.279 2.892 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.035 1.649 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.448 1.453 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.649 2.566 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.596 3.781 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.208 4.697 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.406 5.103 -5.635 1.00 0.00 H new ATOM 776 N LEU A 51 -10.436 4.283 -3.662 1.00 0.00 N ATOM 777 CA LEU A 51 -9.255 4.794 -2.904 1.00 0.00 C ATOM 778 C LEU A 51 -8.431 5.699 -3.825 1.00 0.00 C ATOM 779 O LEU A 51 -7.826 6.661 -3.389 1.00 0.00 O ATOM 780 CB LEU A 51 -8.401 3.607 -2.440 1.00 0.00 C ATOM 781 CG LEU A 51 -7.227 4.103 -1.595 1.00 0.00 C ATOM 782 CD1 LEU A 51 -7.667 4.232 -0.135 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.074 3.100 -1.689 1.00 0.00 C ATOM 0 H LEU A 51 -10.471 3.270 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.583 5.361 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.011 2.915 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.030 3.056 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.899 5.075 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.830 4.586 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.491 4.943 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.994 3.260 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.236 3.452 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.405 2.130 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.759 3.004 -2.728 1.00 0.00 H new ATOM 795 N ARG A 52 -8.420 5.400 -5.100 1.00 0.00 N ATOM 796 CA ARG A 52 -7.657 6.239 -6.067 1.00 0.00 C ATOM 797 C ARG A 52 -8.250 7.651 -6.097 1.00 0.00 C ATOM 798 O ARG A 52 -7.568 8.612 -6.398 1.00 0.00 O ATOM 799 CB ARG A 52 -7.746 5.618 -7.463 1.00 0.00 C ATOM 800 CG ARG A 52 -6.566 4.665 -7.675 1.00 0.00 C ATOM 801 CD ARG A 52 -7.006 3.492 -8.552 1.00 0.00 C ATOM 802 NE ARG A 52 -7.376 3.997 -9.910 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.723 3.173 -10.880 1.00 0.00 C ATOM 804 NH1 ARG A 52 -7.759 1.873 -10.697 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.037 3.661 -12.048 1.00 0.00 N ATOM 0 H ARG A 52 -8.910 4.606 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.613 6.290 -5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.687 5.079 -7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.736 6.400 -8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.738 5.194 -8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.204 4.298 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.201 2.761 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.856 2.983 -8.097 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.360 5.001 -10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.515 1.479 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.031 1.257 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.012 4.669 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.307 3.035 -12.807 1.00 0.00 H new ATOM 819 N MET A 53 -9.515 7.780 -5.782 1.00 0.00 N ATOM 820 CA MET A 53 -10.162 9.125 -5.788 1.00 0.00 C ATOM 821 C MET A 53 -10.376 9.638 -4.351 1.00 0.00 C ATOM 822 O MET A 53 -11.040 10.638 -4.143 1.00 0.00 O ATOM 823 CB MET A 53 -11.500 9.030 -6.550 1.00 0.00 C ATOM 824 CG MET A 53 -12.555 8.261 -5.734 1.00 0.00 C ATOM 825 SD MET A 53 -14.187 8.522 -6.471 1.00 0.00 S ATOM 826 CE MET A 53 -14.705 9.868 -5.379 1.00 0.00 C ATOM 0 H MET A 53 -10.128 7.008 -5.520 1.00 0.00 H new ATOM 0 HA MET A 53 -9.511 9.840 -6.291 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.867 10.032 -6.771 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.342 8.531 -7.506 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.316 7.198 -5.719 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.552 8.603 -4.699 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.707 10.196 -5.656 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.710 9.518 -4.347 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.011 10.703 -5.476 1.00 0.00 H new ATOM 836 N LYS A 54 -9.831 8.966 -3.361 1.00 0.00 N ATOM 837 CA LYS A 54 -10.019 9.424 -1.951 1.00 0.00 C ATOM 838 C LYS A 54 -8.671 9.821 -1.337 1.00 0.00 C ATOM 839 O LYS A 54 -8.618 10.613 -0.414 1.00 0.00 O ATOM 840 CB LYS A 54 -10.644 8.293 -1.129 1.00 0.00 C ATOM 841 CG LYS A 54 -12.159 8.496 -1.046 1.00 0.00 C ATOM 842 CD LYS A 54 -12.481 9.521 0.042 1.00 0.00 C ATOM 843 CE LYS A 54 -13.938 9.360 0.479 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.154 10.079 1.768 1.00 0.00 N ATOM 0 H LYS A 54 -9.267 8.124 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.678 10.292 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.420 7.330 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.214 8.277 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.543 8.838 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.651 7.549 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.817 9.382 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.312 10.530 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.604 9.757 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.179 8.303 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.145 9.969 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.528 9.681 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.940 11.089 1.642 1.00 0.00 H new ATOM 858 N VAL A 55 -7.585 9.277 -1.831 1.00 0.00 N ATOM 859 CA VAL A 55 -6.245 9.625 -1.265 1.00 0.00 C ATOM 860 C VAL A 55 -5.979 11.122 -1.437 1.00 0.00 C ATOM 861 O VAL A 55 -6.248 11.697 -2.476 1.00 0.00 O ATOM 862 CB VAL A 55 -5.152 8.828 -1.983 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.272 7.348 -1.615 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.302 8.993 -3.499 1.00 0.00 C ATOM 0 H VAL A 55 -7.569 8.608 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.236 9.376 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.175 9.201 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.494 6.782 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.157 7.231 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.250 6.976 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.522 8.424 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.280 8.625 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.211 10.047 -3.761 1.00 0.00 H new ATOM 874 N GLU A 56 -5.450 11.754 -0.421 1.00 0.00 N ATOM 875 CA GLU A 56 -5.155 13.213 -0.507 1.00 0.00 C ATOM 876 C GLU A 56 -3.698 13.408 -0.940 1.00 0.00 C ATOM 877 O GLU A 56 -2.972 12.453 -1.143 1.00 0.00 O ATOM 878 CB GLU A 56 -5.375 13.856 0.866 1.00 0.00 C ATOM 879 CG GLU A 56 -6.021 15.233 0.695 1.00 0.00 C ATOM 880 CD GLU A 56 -6.655 15.667 2.017 1.00 0.00 C ATOM 881 OE1 GLU A 56 -5.993 15.551 3.036 1.00 0.00 O ATOM 882 OE2 GLU A 56 -7.792 16.108 1.991 1.00 0.00 O ATOM 0 H GLU A 56 -5.209 11.318 0.469 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.816 13.681 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.012 13.218 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.424 13.953 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.273 15.961 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.778 15.197 -0.089 1.00 0.00 H new ATOM 889 N GLU A 57 -3.269 14.637 -1.079 1.00 0.00 N ATOM 890 CA GLU A 57 -1.860 14.897 -1.496 1.00 0.00 C ATOM 891 C GLU A 57 -0.912 14.473 -0.373 1.00 0.00 C ATOM 892 O GLU A 57 -0.918 15.041 0.703 1.00 0.00 O ATOM 893 CB GLU A 57 -1.677 16.389 -1.784 1.00 0.00 C ATOM 894 CG GLU A 57 -0.459 16.588 -2.687 1.00 0.00 C ATOM 895 CD GLU A 57 0.030 18.032 -2.574 1.00 0.00 C ATOM 896 OE1 GLU A 57 -0.690 18.916 -3.009 1.00 0.00 O ATOM 897 OE2 GLU A 57 1.118 18.231 -2.056 1.00 0.00 O ATOM 0 H GLU A 57 -3.835 15.471 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.636 14.326 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.569 16.790 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.545 16.937 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.336 15.900 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.719 16.361 -3.721 1.00 0.00 H new ATOM 904 N GLY A 58 -0.100 13.477 -0.619 1.00 0.00 N ATOM 905 CA GLY A 58 0.853 13.002 0.429 1.00 0.00 C ATOM 906 C GLY A 58 0.128 12.060 1.395 1.00 0.00 C ATOM 907 O GLY A 58 0.506 11.932 2.545 1.00 0.00 O ATOM 0 H GLY A 58 -0.056 12.971 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.693 12.486 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.263 13.852 0.974 1.00 0.00 H new ATOM 911 N ASP A 59 -0.906 11.401 0.936 1.00 0.00 N ATOM 912 CA ASP A 59 -1.660 10.464 1.822 1.00 0.00 C ATOM 913 C ASP A 59 -0.892 9.145 1.936 1.00 0.00 C ATOM 914 O ASP A 59 -0.155 8.773 1.043 1.00 0.00 O ATOM 915 CB ASP A 59 -3.042 10.201 1.214 1.00 0.00 C ATOM 916 CG ASP A 59 -4.096 10.151 2.322 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.761 9.723 3.413 1.00 0.00 O ATOM 918 OD2 ASP A 59 -5.223 10.539 2.059 1.00 0.00 O ATOM 0 H ASP A 59 -1.261 11.472 -0.018 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.773 10.904 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.290 10.986 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.034 9.260 0.664 1.00 0.00 H new ATOM 923 N VAL A 60 -1.064 8.429 3.020 1.00 0.00 N ATOM 924 CA VAL A 60 -0.345 7.123 3.176 1.00 0.00 C ATOM 925 C VAL A 60 -1.338 5.980 2.973 1.00 0.00 C ATOM 926 O VAL A 60 -2.328 5.874 3.673 1.00 0.00 O ATOM 927 CB VAL A 60 0.298 6.996 4.571 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.658 7.694 4.569 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.599 7.622 5.647 1.00 0.00 C ATOM 0 H VAL A 60 -1.667 8.689 3.800 1.00 0.00 H new ATOM 0 HA VAL A 60 0.449 7.078 2.431 1.00 0.00 H new ATOM 0 HB VAL A 60 0.423 5.938 4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.114 7.605 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.305 7.228 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.526 8.748 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.123 7.519 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.749 8.679 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.563 7.113 5.658 1.00 0.00 H new ATOM 939 N ILE A 61 -1.082 5.132 2.013 1.00 0.00 N ATOM 940 CA ILE A 61 -2.005 3.994 1.742 1.00 0.00 C ATOM 941 C ILE A 61 -1.427 2.711 2.344 1.00 0.00 C ATOM 942 O ILE A 61 -0.567 2.075 1.764 1.00 0.00 O ATOM 943 CB ILE A 61 -2.166 3.832 0.230 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.653 5.156 -0.367 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.184 2.731 -0.072 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.482 5.144 -1.889 1.00 0.00 C ATOM 0 H ILE A 61 -0.267 5.180 1.401 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.978 4.191 2.193 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.207 3.558 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.701 5.314 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.092 5.986 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.293 2.622 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.839 1.789 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.147 2.996 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.832 6.090 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.429 5.007 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.063 4.326 -2.314 1.00 0.00 H new ATOM 958 N LEU A 62 -1.899 2.331 3.502 1.00 0.00 N ATOM 959 CA LEU A 62 -1.392 1.089 4.156 1.00 0.00 C ATOM 960 C LEU A 62 -2.055 -0.126 3.503 1.00 0.00 C ATOM 961 O LEU A 62 -3.262 -0.176 3.355 1.00 0.00 O ATOM 962 CB LEU A 62 -1.742 1.126 5.647 1.00 0.00 C ATOM 963 CG LEU A 62 -0.529 1.593 6.451 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.968 1.958 7.872 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.505 0.468 6.514 1.00 0.00 C ATOM 0 H LEU A 62 -2.618 2.830 4.026 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.310 1.022 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.583 1.799 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.053 0.136 5.982 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.089 2.466 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.103 2.291 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.706 2.759 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.408 1.084 8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.370 0.801 7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.064 -0.405 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.819 0.205 5.504 1.00 0.00 H new ATOM 977 N VAL A 63 -1.275 -1.100 3.109 1.00 0.00 N ATOM 978 CA VAL A 63 -1.856 -2.312 2.460 1.00 0.00 C ATOM 979 C VAL A 63 -1.420 -3.564 3.225 1.00 0.00 C ATOM 980 O VAL A 63 -0.303 -4.027 3.088 1.00 0.00 O ATOM 981 CB VAL A 63 -1.364 -2.398 1.012 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.055 -3.564 0.302 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.696 -1.094 0.285 1.00 0.00 C ATOM 0 H VAL A 63 -0.260 -1.108 3.209 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.944 -2.244 2.472 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.286 -2.558 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.703 -3.623 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.821 -4.495 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.134 -3.406 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.347 -1.153 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.775 -0.937 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.204 -0.262 0.788 1.00 0.00 H new ATOM 1207 N ILE A 77 0.308 -3.177 -9.364 1.00 0.00 N ATOM 1208 CA ILE A 77 1.237 -2.096 -9.804 1.00 0.00 C ATOM 1209 C ILE A 77 0.447 -0.958 -10.472 1.00 0.00 C ATOM 1210 O ILE A 77 0.905 0.169 -10.519 1.00 0.00 O ATOM 1211 CB ILE A 77 2.257 -2.687 -10.784 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.068 -3.773 -10.068 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.205 -1.591 -11.278 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.449 -5.143 -10.350 1.00 0.00 C ATOM 0 HA ILE A 77 1.760 -1.685 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 77 1.731 -3.115 -11.637 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.103 -3.753 -10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.082 -3.583 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.926 -2.020 -11.974 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.631 -0.814 -11.783 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.734 -1.157 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.026 -5.915 -9.841 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.421 -5.160 -9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.458 -5.332 -11.423 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.728 -1.236 -10.988 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.533 -0.162 -11.646 1.00 0.00 C ATOM 1228 C GLN A 78 -1.854 0.931 -10.623 1.00 0.00 C ATOM 1229 O GLN A 78 -1.365 2.040 -10.713 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.840 -0.752 -12.188 1.00 0.00 C ATOM 1231 CG GLN A 78 -3.159 -0.130 -13.549 1.00 0.00 C ATOM 1232 CD GLN A 78 -3.638 1.309 -13.352 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -4.778 1.540 -13.003 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -2.808 2.293 -13.563 1.00 0.00 N ATOM 0 H GLN A 78 -1.162 -2.159 -10.981 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.961 0.263 -12.471 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.750 -1.834 -12.284 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.654 -0.560 -11.489 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.274 -0.146 -14.185 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.927 -0.714 -14.057 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.851 2.099 -13.856 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.116 3.257 -13.435 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.675 0.618 -9.652 1.00 0.00 N ATOM 1244 CA LEU A 79 -3.041 1.629 -8.614 1.00 0.00 C ATOM 1245 C LEU A 79 -1.770 2.155 -7.928 1.00 0.00 C ATOM 1246 O LEU A 79 -1.709 3.295 -7.512 1.00 0.00 O ATOM 1247 CB LEU A 79 -4.010 1.006 -7.585 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.319 -0.064 -6.719 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -4.102 -0.238 -5.418 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -3.291 -1.402 -7.463 1.00 0.00 C ATOM 0 H LEU A 79 -3.109 -0.298 -9.533 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.547 2.469 -9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.410 1.790 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.856 0.559 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.298 0.253 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.618 -0.994 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.127 0.709 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.120 -0.553 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.801 -2.153 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.311 -1.720 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.741 -1.287 -8.397 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.751 1.333 -7.826 1.00 0.00 N ATOM 1263 CA ILE A 80 0.522 1.785 -7.187 1.00 0.00 C ATOM 1264 C ILE A 80 1.121 2.914 -8.039 1.00 0.00 C ATOM 1265 O ILE A 80 1.676 3.865 -7.520 1.00 0.00 O ATOM 1266 CB ILE A 80 1.501 0.595 -7.095 1.00 0.00 C ATOM 1267 CG1 ILE A 80 0.962 -0.452 -6.104 1.00 0.00 C ATOM 1268 CG2 ILE A 80 2.885 1.060 -6.624 1.00 0.00 C ATOM 1269 CD1 ILE A 80 0.760 0.168 -4.718 1.00 0.00 C ATOM 0 H ILE A 80 -0.749 0.369 -8.159 1.00 0.00 H new ATOM 0 HA ILE A 80 0.334 2.155 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 80 1.593 0.156 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.017 -0.853 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.658 -1.288 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.557 0.203 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.284 1.788 -7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.799 1.519 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.379 -0.589 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.712 0.547 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.045 0.988 -4.787 1.00 0.00 H new ATOM 1281 N LYS A 81 1.001 2.816 -9.339 1.00 0.00 N ATOM 1282 CA LYS A 81 1.550 3.882 -10.228 1.00 0.00 C ATOM 1283 C LYS A 81 0.596 5.079 -10.210 1.00 0.00 C ATOM 1284 O LYS A 81 1.015 6.220 -10.244 1.00 0.00 O ATOM 1285 CB LYS A 81 1.681 3.337 -11.660 1.00 0.00 C ATOM 1286 CG LYS A 81 3.154 3.334 -12.085 1.00 0.00 C ATOM 1287 CD LYS A 81 3.729 1.923 -11.942 1.00 0.00 C ATOM 1288 CE LYS A 81 3.430 1.120 -13.209 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.549 0.171 -13.472 1.00 0.00 N ATOM 0 H LYS A 81 0.546 2.042 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 81 2.534 4.193 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.277 2.326 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.097 3.950 -12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.245 3.671 -13.117 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.721 4.032 -11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.805 1.972 -11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.294 1.428 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.495 0.573 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.303 1.793 -14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.174 -0.694 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.237 0.615 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.018 -0.070 -12.575 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.686 4.818 -10.148 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.682 5.927 -10.118 1.00 0.00 C ATOM 1305 C GLU A 82 -1.485 6.744 -8.839 1.00 0.00 C ATOM 1306 O GLU A 82 -1.710 7.939 -8.813 1.00 0.00 O ATOM 1307 CB GLU A 82 -3.096 5.339 -10.139 1.00 0.00 C ATOM 1308 CG GLU A 82 -4.073 6.375 -10.694 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.841 6.544 -12.197 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -4.153 5.623 -12.932 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.353 7.593 -12.586 1.00 0.00 O ATOM 0 H GLU A 82 -1.085 3.880 -10.117 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.545 6.571 -10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.117 4.439 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.394 5.046 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.099 6.059 -10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.936 7.329 -10.185 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.062 6.102 -7.780 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.838 6.823 -6.493 1.00 0.00 C ATOM 1320 C PHE A 83 0.516 7.530 -6.539 1.00 0.00 C ATOM 1321 O PHE A 83 0.659 8.650 -6.085 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.834 5.815 -5.344 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.246 5.371 -5.039 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.240 6.322 -4.780 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.560 4.006 -5.014 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.547 5.906 -4.497 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.866 3.591 -4.730 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.859 4.542 -4.472 1.00 0.00 C ATOM 0 H PHE A 83 -0.861 5.102 -7.753 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.632 7.554 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.222 4.953 -5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.386 6.264 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.999 7.375 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.793 3.273 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.315 6.639 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.107 2.538 -4.710 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.867 4.223 -4.253 1.00 0.00 H new ATOM 1338 N ASP A 84 1.511 6.880 -7.086 1.00 0.00 N ATOM 1339 CA ASP A 84 2.868 7.495 -7.174 1.00 0.00 C ATOM 1340 C ASP A 84 2.788 8.797 -7.972 1.00 0.00 C ATOM 1341 O ASP A 84 3.511 9.740 -7.717 1.00 0.00 O ATOM 1342 CB ASP A 84 3.812 6.522 -7.879 1.00 0.00 C ATOM 1343 CG ASP A 84 5.247 6.758 -7.403 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.449 6.815 -6.200 1.00 0.00 O ATOM 1345 OD2 ASP A 84 6.118 6.878 -8.248 1.00 0.00 O ATOM 0 H ASP A 84 1.440 5.941 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 84 3.241 7.709 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.514 5.495 -7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.750 6.658 -8.959 1.00 0.00 H new ATOM 1350 N ALA A 85 1.907 8.846 -8.936 1.00 0.00 N ATOM 1351 CA ALA A 85 1.757 10.078 -9.762 1.00 0.00 C ATOM 1352 C ALA A 85 0.904 11.105 -9.011 1.00 0.00 C ATOM 1353 O ALA A 85 1.018 12.296 -9.237 1.00 0.00 O ATOM 1354 CB ALA A 85 1.078 9.724 -11.086 1.00 0.00 C ATOM 0 H ALA A 85 1.282 8.080 -9.187 1.00 0.00 H new ATOM 0 HA ALA A 85 2.742 10.502 -9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.968 10.624 -11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.687 8.998 -11.624 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.095 9.297 -10.888 1.00 0.00 H new ATOM 1360 N GLN A 86 0.049 10.656 -8.123 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.813 11.607 -7.363 1.00 0.00 C ATOM 1362 C GLN A 86 -0.052 12.173 -6.149 1.00 0.00 C ATOM 1363 O GLN A 86 -0.614 12.906 -5.358 1.00 0.00 O ATOM 1364 CB GLN A 86 -2.072 10.867 -6.884 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.295 11.362 -7.660 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.574 10.931 -6.937 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -4.566 9.981 -6.177 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -5.679 11.592 -7.141 1.00 0.00 N ATOM 0 H GLN A 86 -0.087 9.671 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.092 12.436 -8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.950 9.793 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.217 11.032 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.265 12.448 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.284 10.957 -8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.687 12.389 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.536 11.313 -6.664 1.00 0.00 H new ATOM 1377 N GLY A 87 1.209 11.842 -5.991 1.00 0.00 N ATOM 1378 CA GLY A 87 1.980 12.366 -4.827 1.00 0.00 C ATOM 1379 C GLY A 87 1.491 11.681 -3.549 1.00 0.00 C ATOM 1380 O GLY A 87 1.515 12.256 -2.477 1.00 0.00 O ATOM 0 H GLY A 87 1.733 11.232 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.045 12.181 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.852 13.445 -4.747 1.00 0.00 H new ATOM 1384 N VAL A 88 1.047 10.456 -3.662 1.00 0.00 N ATOM 1385 CA VAL A 88 0.549 9.719 -2.465 1.00 0.00 C ATOM 1386 C VAL A 88 1.520 8.589 -2.124 1.00 0.00 C ATOM 1387 O VAL A 88 2.151 8.014 -2.994 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.838 9.141 -2.766 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.387 8.427 -1.528 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.785 10.280 -3.151 1.00 0.00 C ATOM 0 H VAL A 88 1.008 9.933 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 88 0.479 10.400 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.759 8.428 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.373 8.019 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.714 7.617 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.465 9.136 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.774 9.874 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.856 10.989 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.401 10.789 -4.035 1.00 0.00 H new ATOM 1400 N SER A 89 1.642 8.268 -0.864 1.00 0.00 N ATOM 1401 CA SER A 89 2.566 7.176 -0.446 1.00 0.00 C ATOM 1402 C SER A 89 1.764 5.894 -0.219 1.00 0.00 C ATOM 1403 O SER A 89 0.553 5.924 -0.105 1.00 0.00 O ATOM 1404 CB SER A 89 3.272 7.572 0.852 1.00 0.00 C ATOM 1405 OG SER A 89 4.369 8.424 0.548 1.00 0.00 O ATOM 0 H SER A 89 1.137 8.719 -0.101 1.00 0.00 H new ATOM 0 HA SER A 89 3.309 7.009 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.575 8.081 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.622 6.682 1.376 1.00 0.00 H new ATOM 0 HG SER A 89 4.823 8.681 1.377 1.00 0.00 H new ATOM 1411 N ILE A 90 2.432 4.770 -0.156 1.00 0.00 N ATOM 1412 CA ILE A 90 1.714 3.480 0.061 1.00 0.00 C ATOM 1413 C ILE A 90 2.534 2.597 1.002 1.00 0.00 C ATOM 1414 O ILE A 90 3.504 1.978 0.604 1.00 0.00 O ATOM 1415 CB ILE A 90 1.518 2.776 -1.284 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.788 3.737 -2.235 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.690 1.499 -1.079 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.485 3.046 -3.568 1.00 0.00 C ATOM 0 H ILE A 90 3.445 4.691 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 90 0.739 3.670 0.509 1.00 0.00 H new ATOM 0 HB ILE A 90 2.482 2.500 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.140 4.077 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.401 4.622 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.551 0.998 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.213 0.832 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.282 1.759 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.032 3.741 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.418 2.729 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.147 2.176 -3.391 1.00 0.00 H new ATOM 1430 N ARG A 91 2.149 2.543 2.250 1.00 0.00 N ATOM 1431 CA ARG A 91 2.893 1.711 3.238 1.00 0.00 C ATOM 1432 C ARG A 91 2.499 0.242 3.071 1.00 0.00 C ATOM 1433 O ARG A 91 1.332 -0.088 2.969 1.00 0.00 O ATOM 1434 CB ARG A 91 2.543 2.182 4.653 1.00 0.00 C ATOM 1435 CG ARG A 91 3.021 3.624 4.844 1.00 0.00 C ATOM 1436 CD ARG A 91 3.491 3.820 6.286 1.00 0.00 C ATOM 1437 NE ARG A 91 4.596 4.827 6.315 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.282 5.063 7.416 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.029 4.425 8.535 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.239 5.951 7.392 1.00 0.00 N ATOM 0 H ARG A 91 1.345 3.044 2.629 1.00 0.00 H new ATOM 0 HA ARG A 91 3.965 1.814 3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.466 2.120 4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.012 1.531 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.835 3.843 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.213 4.319 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.661 4.156 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.836 2.873 6.700 1.00 0.00 H new ATOM 0 HE ARG A 91 4.824 5.342 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.286 3.727 8.567 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.575 4.627 9.372 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.448 6.452 6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.778 6.143 8.237 1.00 0.00 H new ATOM 1454 N PHE A 92 3.466 -0.640 3.042 1.00 0.00 N ATOM 1455 CA PHE A 92 3.160 -2.092 2.881 1.00 0.00 C ATOM 1456 C PHE A 92 3.460 -2.823 4.191 1.00 0.00 C ATOM 1457 O PHE A 92 4.493 -2.624 4.799 1.00 0.00 O ATOM 1458 CB PHE A 92 4.025 -2.675 1.756 1.00 0.00 C ATOM 1459 CG PHE A 92 3.213 -2.777 0.486 1.00 0.00 C ATOM 1460 CD1 PHE A 92 2.597 -1.639 -0.045 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.079 -4.012 -0.160 1.00 0.00 C ATOM 1462 CE1 PHE A 92 1.845 -1.733 -1.222 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.327 -4.107 -1.338 1.00 0.00 C ATOM 1464 CZ PHE A 92 1.710 -2.968 -1.868 1.00 0.00 C ATOM 0 H PHE A 92 4.458 -0.415 3.123 1.00 0.00 H new ATOM 0 HA PHE A 92 2.107 -2.217 2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.897 -2.043 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.395 -3.660 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.702 -0.687 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.555 -4.891 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.369 -0.854 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.223 -5.059 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.129 -3.042 -2.776 1.00 0.00 H new ATOM 1474 N ILE A 93 2.562 -3.670 4.624 1.00 0.00 N ATOM 1475 CA ILE A 93 2.779 -4.429 5.893 1.00 0.00 C ATOM 1476 C ILE A 93 4.055 -5.281 5.771 1.00 0.00 C ATOM 1477 O ILE A 93 4.706 -5.584 6.754 1.00 0.00 O ATOM 1478 CB ILE A 93 1.539 -5.308 6.155 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.583 -5.898 7.586 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.425 -6.424 5.101 1.00 0.00 C ATOM 1481 CD1 ILE A 93 2.621 -7.026 7.719 1.00 0.00 C ATOM 0 H ILE A 93 1.681 -3.870 4.150 1.00 0.00 H new ATOM 0 HA ILE A 93 2.912 -3.747 6.733 1.00 0.00 H new ATOM 0 HB ILE A 93 0.651 -4.681 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.817 -5.105 8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.597 -6.281 7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.543 -7.030 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.337 -5.980 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.315 -7.053 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.615 -7.408 8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.373 -7.832 7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.612 -6.638 7.483 1.00 0.00 H new