USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 922 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 20 ASN : amide:sc= 0.292 K(o=0.61,f=-1.5) USER MOD Set 1.2: A 30 THR OG1 : rot 176:sc= 0.314 USER MOD Set 2.1: A 5 LYS NZ :NH3+ -137:sc= -0.624 (180deg=-2.04!) USER MOD Set 2.2: A 29 GLN : amide:sc= 1.15 K(o=0.52,f=-0.45) USER MOD Single : A 12 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.081) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.23) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 32 GLN : amide:sc= -3.05 X(o=-3,f=-3.3!) USER MOD Single : A 35 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.2!) USER MOD Single : A 38 GLN : amide:sc= -0.64 K(o=-0.64,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.25) USER MOD Single : A 55 MET CE :methyl 149:sc= -12.3! (180deg=-16.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -157:sc= -2.82! (180deg=-4.51!) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0.759 (180deg=0.748) USER MOD Single : A 69 MET CE :methyl -175:sc= -3.05! (180deg=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.06 K(o=-2.1,f=-4.6!) USER MOD Single : A 81 MET CE :methyl -159:sc= -15.3! (180deg=-18.2!) USER MOD Single : A 82 THR OG1 : rot 100:sc= -0.339 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -145:sc= -5.23 (180deg=-10.1!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -76:sc= 0.967 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.158! USER MOD Single : A 101 HIS : no HD1:sc= -7.16! C(o=-7.2!,f=-7.9!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -5.222 -8.943 11.670 1.00 0.00 N ATOM 50 CA GLU A 4 -5.099 -8.019 10.556 1.00 0.00 C ATOM 51 C GLU A 4 -3.767 -7.270 10.632 1.00 0.00 C ATOM 52 O GLU A 4 -3.320 -6.899 11.716 1.00 0.00 O ATOM 53 CB GLU A 4 -6.276 -7.042 10.523 1.00 0.00 C ATOM 54 CG GLU A 4 -6.174 -6.102 9.320 1.00 0.00 C ATOM 55 CD GLU A 4 -7.508 -6.018 8.575 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.113 -7.093 8.370 1.00 0.00 O ATOM 57 OE2 GLU A 4 -7.894 -4.881 8.226 1.00 0.00 O ATOM 0 HA GLU A 4 -5.118 -8.592 9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.213 -7.597 10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.296 -6.459 11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.877 -5.108 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.397 -6.456 8.643 1.00 0.00 H new ATOM 64 N LYS A 5 -3.170 -7.070 9.466 1.00 0.00 N ATOM 65 CA LYS A 5 -1.898 -6.372 9.387 1.00 0.00 C ATOM 66 C LYS A 5 -1.902 -5.451 8.165 1.00 0.00 C ATOM 67 O LYS A 5 -2.707 -5.629 7.252 1.00 0.00 O ATOM 68 CB LYS A 5 -0.738 -7.370 9.401 1.00 0.00 C ATOM 69 CG LYS A 5 -0.711 -8.160 10.711 1.00 0.00 C ATOM 70 CD LYS A 5 0.172 -7.467 11.751 1.00 0.00 C ATOM 71 CE LYS A 5 1.655 -7.694 11.451 1.00 0.00 C ATOM 72 NZ LYS A 5 2.354 -8.206 12.650 1.00 0.00 N ATOM 0 H LYS A 5 -3.544 -7.379 8.569 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.755 -5.740 10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.834 -8.057 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.205 -6.839 9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.724 -8.262 11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.338 -9.167 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.041 -6.398 11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.064 -7.847 12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.762 -8.403 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.114 -6.760 11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.268 -7.720 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.771 -8.030 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.516 -9.228 12.548 1.00 0.00 H new ATOM 86 N ILE A 6 -0.993 -4.487 8.188 1.00 0.00 N ATOM 87 CA ILE A 6 -0.882 -3.538 7.094 1.00 0.00 C ATOM 88 C ILE A 6 0.464 -2.815 7.186 1.00 0.00 C ATOM 89 O ILE A 6 1.065 -2.750 8.257 1.00 0.00 O ATOM 90 CB ILE A 6 -2.086 -2.595 7.078 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.130 -3.055 6.057 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.648 -1.149 6.837 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.473 -3.335 6.735 1.00 0.00 C ATOM 0 H ILE A 6 -0.327 -4.343 8.947 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.901 -4.058 6.136 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.558 -2.629 8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.257 -2.289 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.779 -3.955 5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.524 -0.500 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.971 -0.837 7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.137 -1.079 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.197 -3.660 5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.347 -4.118 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.833 -2.427 7.218 1.00 0.00 H new ATOM 105 N LEU A 7 0.897 -2.291 6.049 1.00 0.00 N ATOM 106 CA LEU A 7 2.160 -1.576 5.988 1.00 0.00 C ATOM 107 C LEU A 7 1.962 -0.263 5.228 1.00 0.00 C ATOM 108 O LEU A 7 1.176 -0.201 4.284 1.00 0.00 O ATOM 109 CB LEU A 7 3.254 -2.469 5.398 1.00 0.00 C ATOM 110 CG LEU A 7 4.616 -2.410 6.092 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.703 -3.443 7.217 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.754 -2.566 5.082 1.00 0.00 C ATOM 0 H LEU A 7 0.395 -2.347 5.163 1.00 0.00 H new ATOM 0 HA LEU A 7 2.499 -1.316 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.903 -3.501 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.390 -2.199 4.351 1.00 0.00 H new ATOM 0 HG LEU A 7 4.724 -1.426 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.681 -3.380 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.926 -3.244 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.564 -4.442 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.711 -2.520 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.662 -3.527 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.701 -1.762 4.348 1.00 0.00 H new ATOM 124 N ILE A 8 2.688 0.754 5.669 1.00 0.00 N ATOM 125 CA ILE A 8 2.602 2.062 5.042 1.00 0.00 C ATOM 126 C ILE A 8 4.004 2.521 4.634 1.00 0.00 C ATOM 127 O ILE A 8 4.808 2.901 5.484 1.00 0.00 O ATOM 128 CB ILE A 8 1.874 3.048 5.958 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.417 2.630 6.166 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.990 4.478 5.426 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.160 3.265 7.433 1.00 0.00 C ATOM 0 H ILE A 8 3.338 0.699 6.453 1.00 0.00 H new ATOM 0 HA ILE A 8 2.006 2.009 4.131 1.00 0.00 H new ATOM 0 HB ILE A 8 2.357 3.028 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.177 2.928 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.353 1.544 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.464 5.159 6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.041 4.762 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.548 4.533 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.197 2.952 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.422 2.946 8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.117 4.351 7.348 1.00 0.00 H new ATOM 143 N VAL A 9 4.253 2.470 3.334 1.00 0.00 N ATOM 144 CA VAL A 9 5.544 2.875 2.803 1.00 0.00 C ATOM 145 C VAL A 9 5.401 4.230 2.108 1.00 0.00 C ATOM 146 O VAL A 9 4.525 4.409 1.262 1.00 0.00 O ATOM 147 CB VAL A 9 6.097 1.786 1.883 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.549 2.078 1.498 1.00 0.00 C ATOM 149 CG2 VAL A 9 5.968 0.405 2.528 1.00 0.00 C ATOM 0 H VAL A 9 3.583 2.155 2.633 1.00 0.00 H new ATOM 0 HA VAL A 9 6.268 2.997 3.609 1.00 0.00 H new ATOM 0 HB VAL A 9 5.502 1.786 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.918 1.288 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.602 3.035 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.163 2.120 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.369 -0.351 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.526 0.387 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.918 0.193 2.727 1.00 0.00 H new ATOM 159 N ASP A 10 6.275 5.150 2.489 1.00 0.00 N ATOM 160 CA ASP A 10 6.257 6.484 1.912 1.00 0.00 C ATOM 161 C ASP A 10 4.826 7.025 1.933 1.00 0.00 C ATOM 162 O ASP A 10 3.918 6.369 2.440 1.00 0.00 O ATOM 163 CB ASP A 10 6.732 6.461 0.458 1.00 0.00 C ATOM 164 CG ASP A 10 8.018 5.670 0.210 1.00 0.00 C ATOM 165 OD1 ASP A 10 9.054 6.078 0.777 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.935 4.674 -0.541 1.00 0.00 O ATOM 0 H ASP A 10 7.000 4.998 3.190 1.00 0.00 H new ATOM 0 HA ASP A 10 6.924 7.115 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.939 6.040 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.885 7.488 0.125 1.00 0.00 H new ATOM 171 N ASP A 11 4.670 8.217 1.377 1.00 0.00 N ATOM 172 CA ASP A 11 3.365 8.855 1.326 1.00 0.00 C ATOM 173 C ASP A 11 2.946 9.263 2.740 1.00 0.00 C ATOM 174 O ASP A 11 1.814 9.692 2.956 1.00 0.00 O ATOM 175 CB ASP A 11 2.306 7.897 0.777 1.00 0.00 C ATOM 176 CG ASP A 11 1.027 8.568 0.272 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.162 9.500 -0.550 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.056 8.134 0.720 1.00 0.00 O ATOM 0 H ASP A 11 5.426 8.758 0.958 1.00 0.00 H new ATOM 0 HA ASP A 11 3.439 9.724 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.745 7.324 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.041 7.186 1.559 1.00 0.00 H new ATOM 183 N GLN A 12 3.882 9.115 3.666 1.00 0.00 N ATOM 184 CA GLN A 12 3.624 9.463 5.053 1.00 0.00 C ATOM 185 C GLN A 12 3.625 10.983 5.227 1.00 0.00 C ATOM 186 O GLN A 12 4.663 11.628 5.083 1.00 0.00 O ATOM 187 CB GLN A 12 4.645 8.804 5.982 1.00 0.00 C ATOM 188 CG GLN A 12 6.058 8.901 5.403 1.00 0.00 C ATOM 189 CD GLN A 12 7.096 9.071 6.514 1.00 0.00 C ATOM 190 OE1 GLN A 12 8.026 8.294 6.655 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.886 10.129 7.292 1.00 0.00 N ATOM 0 H GLN A 12 4.820 8.759 3.483 1.00 0.00 H new ATOM 0 HA GLN A 12 2.638 9.086 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.615 9.285 6.960 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.381 7.757 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.281 8.003 4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.116 9.744 4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.087 10.739 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.524 10.330 8.062 1.00 0.00 H new ATOM 200 N TYR A 13 2.450 11.512 5.535 1.00 0.00 N ATOM 201 CA TYR A 13 2.302 12.944 5.731 1.00 0.00 C ATOM 202 C TYR A 13 1.060 13.257 6.568 1.00 0.00 C ATOM 203 O TYR A 13 0.470 14.328 6.433 1.00 0.00 O ATOM 204 CB TYR A 13 2.126 13.545 4.335 1.00 0.00 C ATOM 205 CG TYR A 13 3.107 14.674 4.016 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.927 15.923 4.575 1.00 0.00 C ATOM 207 CD2 TYR A 13 4.173 14.445 3.169 1.00 0.00 C ATOM 208 CE1 TYR A 13 3.851 16.987 4.275 1.00 0.00 C ATOM 209 CE2 TYR A 13 5.096 15.508 2.869 1.00 0.00 C ATOM 210 CZ TYR A 13 4.889 16.727 3.437 1.00 0.00 C ATOM 211 OH TYR A 13 5.761 17.731 3.153 1.00 0.00 O ATOM 0 H TYR A 13 1.591 10.974 5.654 1.00 0.00 H new ATOM 0 HA TYR A 13 3.167 13.351 6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.243 12.755 3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.108 13.924 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.093 16.103 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.314 13.468 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.722 17.969 4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.934 15.342 2.208 1.00 0.00 H new ATOM 0 HH TYR A 13 6.453 17.401 2.542 1.00 0.00 H new ATOM 221 N GLY A 14 0.700 12.304 7.415 1.00 0.00 N ATOM 222 CA GLY A 14 -0.461 12.465 8.273 1.00 0.00 C ATOM 223 C GLY A 14 -1.624 11.593 7.792 1.00 0.00 C ATOM 224 O GLY A 14 -2.659 11.513 8.453 1.00 0.00 O ATOM 0 H GLY A 14 1.192 11.417 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.201 12.198 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.767 13.511 8.285 1.00 0.00 H new ATOM 228 N ILE A 15 -1.414 10.963 6.646 1.00 0.00 N ATOM 229 CA ILE A 15 -2.431 10.100 6.070 1.00 0.00 C ATOM 230 C ILE A 15 -2.226 8.670 6.573 1.00 0.00 C ATOM 231 O ILE A 15 -3.193 7.956 6.836 1.00 0.00 O ATOM 232 CB ILE A 15 -2.435 10.221 4.544 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.185 11.477 4.096 1.00 0.00 C ATOM 234 CG2 ILE A 15 -2.997 8.955 3.895 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.210 12.567 3.647 1.00 0.00 C ATOM 0 H ILE A 15 -0.555 11.033 6.101 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.424 10.413 6.394 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.404 10.324 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.861 11.229 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.800 11.849 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.989 9.067 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.383 8.099 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.020 8.795 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.769 13.449 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.552 12.830 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.613 12.200 2.812 1.00 0.00 H new ATOM 247 N ARG A 16 -0.961 8.294 6.690 1.00 0.00 N ATOM 248 CA ARG A 16 -0.617 6.961 7.157 1.00 0.00 C ATOM 249 C ARG A 16 -1.292 6.679 8.501 1.00 0.00 C ATOM 250 O ARG A 16 -1.737 5.560 8.753 1.00 0.00 O ATOM 251 CB ARG A 16 0.897 6.806 7.312 1.00 0.00 C ATOM 252 CG ARG A 16 1.509 8.039 7.980 1.00 0.00 C ATOM 253 CD ARG A 16 2.882 7.716 8.574 1.00 0.00 C ATOM 254 NE ARG A 16 2.747 7.390 10.011 1.00 0.00 N ATOM 255 CZ ARG A 16 3.747 7.479 10.899 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.961 7.885 10.501 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.534 7.163 12.183 1.00 0.00 N ATOM 0 H ARG A 16 -0.162 8.888 6.470 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.970 6.247 6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.116 5.919 7.907 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.353 6.654 6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.605 8.843 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.845 8.399 8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.329 6.876 8.042 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.552 8.566 8.447 1.00 0.00 H new ATOM 0 HE ARG A 16 1.836 7.078 10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.123 8.126 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.723 7.953 11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.610 6.854 12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.296 7.231 12.858 1.00 0.00 H new ATOM 271 N ILE A 17 -1.346 7.712 9.329 1.00 0.00 N ATOM 272 CA ILE A 17 -1.959 7.589 10.640 1.00 0.00 C ATOM 273 C ILE A 17 -3.472 7.436 10.479 1.00 0.00 C ATOM 274 O ILE A 17 -4.091 6.607 11.145 1.00 0.00 O ATOM 275 CB ILE A 17 -1.551 8.762 11.534 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.029 8.847 11.667 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.241 8.678 12.897 1.00 0.00 C ATOM 278 CD1 ILE A 17 0.432 10.302 11.766 1.00 0.00 C ATOM 0 H ILE A 17 -0.975 8.638 9.117 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.600 6.693 11.146 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.885 9.685 11.060 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.293 8.299 12.552 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.442 8.370 10.807 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.934 9.523 13.513 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.322 8.703 12.760 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.959 7.748 13.391 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.517 10.334 11.860 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.129 10.842 10.869 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.022 10.769 12.640 1.00 0.00 H new ATOM 290 N LEU A 18 -4.026 8.249 9.591 1.00 0.00 N ATOM 291 CA LEU A 18 -5.455 8.215 9.334 1.00 0.00 C ATOM 292 C LEU A 18 -5.916 6.759 9.234 1.00 0.00 C ATOM 293 O LEU A 18 -6.792 6.329 9.983 1.00 0.00 O ATOM 294 CB LEU A 18 -5.799 9.054 8.102 1.00 0.00 C ATOM 295 CG LEU A 18 -7.235 9.576 8.024 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.314 11.034 8.481 1.00 0.00 C ATOM 297 CD2 LEU A 18 -7.814 9.382 6.621 1.00 0.00 C ATOM 0 H LEU A 18 -3.510 8.935 9.040 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.001 8.668 10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.121 9.907 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.603 8.455 7.213 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.849 8.991 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.345 11.380 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.970 11.111 9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.683 11.651 7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.835 9.761 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.205 9.925 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.814 8.321 6.371 1.00 0.00 H new ATOM 309 N LEU A 19 -5.306 6.041 8.302 1.00 0.00 N ATOM 310 CA LEU A 19 -5.643 4.643 8.094 1.00 0.00 C ATOM 311 C LEU A 19 -5.104 3.815 9.262 1.00 0.00 C ATOM 312 O LEU A 19 -5.591 2.716 9.525 1.00 0.00 O ATOM 313 CB LEU A 19 -5.150 4.171 6.725 1.00 0.00 C ATOM 314 CG LEU A 19 -3.707 4.536 6.370 1.00 0.00 C ATOM 315 CD1 LEU A 19 -2.890 3.285 6.039 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.664 5.564 5.238 1.00 0.00 C ATOM 0 H LEU A 19 -4.580 6.401 7.682 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.725 4.509 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.252 3.087 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.807 4.586 5.961 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.248 4.999 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.869 3.573 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.879 2.619 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.339 2.771 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.627 5.806 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.148 5.151 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.187 6.469 5.548 1.00 0.00 H new ATOM 328 N ASN A 20 -4.106 4.372 9.931 1.00 0.00 N ATOM 329 CA ASN A 20 -3.495 3.698 11.064 1.00 0.00 C ATOM 330 C ASN A 20 -4.513 3.601 12.203 1.00 0.00 C ATOM 331 O ASN A 20 -4.838 2.506 12.657 1.00 0.00 O ATOM 332 CB ASN A 20 -2.282 4.476 11.579 1.00 0.00 C ATOM 333 CG ASN A 20 -1.464 3.630 12.557 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.719 2.455 12.766 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.469 4.291 13.142 1.00 0.00 N ATOM 0 H ASN A 20 -3.705 5.283 9.710 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.176 2.709 10.736 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.655 4.776 10.740 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.614 5.390 12.072 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.136 3.815 13.811 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.311 5.274 12.922 1.00 0.00 H new ATOM 342 N GLU A 21 -4.986 4.762 12.631 1.00 0.00 N ATOM 343 CA GLU A 21 -5.960 4.822 13.707 1.00 0.00 C ATOM 344 C GLU A 21 -7.117 3.860 13.430 1.00 0.00 C ATOM 345 O GLU A 21 -7.821 3.448 14.351 1.00 0.00 O ATOM 346 CB GLU A 21 -6.470 6.250 13.907 1.00 0.00 C ATOM 347 CG GLU A 21 -7.530 6.305 15.009 1.00 0.00 C ATOM 348 CD GLU A 21 -7.687 7.728 15.549 1.00 0.00 C ATOM 349 OE1 GLU A 21 -6.673 8.459 15.524 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.816 8.053 15.973 1.00 0.00 O ATOM 0 H GLU A 21 -4.713 5.669 12.252 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.470 4.514 14.631 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.637 6.904 14.165 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.891 6.624 12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.485 5.953 14.618 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.251 5.633 15.821 1.00 0.00 H new ATOM 357 N VAL A 22 -7.278 3.529 12.158 1.00 0.00 N ATOM 358 CA VAL A 22 -8.338 2.623 11.748 1.00 0.00 C ATOM 359 C VAL A 22 -7.918 1.184 12.050 1.00 0.00 C ATOM 360 O VAL A 22 -8.570 0.494 12.833 1.00 0.00 O ATOM 361 CB VAL A 22 -8.679 2.850 10.274 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.572 1.728 9.739 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.332 4.217 10.065 1.00 0.00 C ATOM 0 H VAL A 22 -6.692 3.872 11.397 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.249 2.821 12.313 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.747 2.835 9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.800 1.913 8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.054 0.774 9.835 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.499 1.697 10.311 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.564 4.352 9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.251 4.274 10.648 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.647 5.001 10.389 1.00 0.00 H new ATOM 373 N PHE A 23 -6.831 0.772 11.414 1.00 0.00 N ATOM 374 CA PHE A 23 -6.316 -0.573 11.605 1.00 0.00 C ATOM 375 C PHE A 23 -5.839 -0.778 13.044 1.00 0.00 C ATOM 376 O PHE A 23 -5.967 -1.871 13.594 1.00 0.00 O ATOM 377 CB PHE A 23 -5.125 -0.734 10.658 1.00 0.00 C ATOM 378 CG PHE A 23 -5.513 -0.841 9.182 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.592 -1.584 8.815 1.00 0.00 C ATOM 380 CD2 PHE A 23 -4.779 -0.194 8.237 1.00 0.00 C ATOM 381 CE1 PHE A 23 -6.952 -1.683 7.445 1.00 0.00 C ATOM 382 CE2 PHE A 23 -5.140 -0.293 6.867 1.00 0.00 C ATOM 383 CZ PHE A 23 -6.219 -1.036 6.500 1.00 0.00 C ATOM 0 H PHE A 23 -6.293 1.347 10.766 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.099 -1.304 11.402 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.455 0.116 10.786 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.566 -1.626 10.942 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.174 -2.098 9.565 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.922 0.395 8.528 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.809 -2.273 7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.558 0.221 6.117 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.493 -1.112 5.458 1.00 0.00 H new ATOM 393 N ASN A 24 -5.299 0.290 13.613 1.00 0.00 N ATOM 394 CA ASN A 24 -4.803 0.240 14.978 1.00 0.00 C ATOM 395 C ASN A 24 -5.985 0.120 15.942 1.00 0.00 C ATOM 396 O ASN A 24 -5.887 -0.547 16.971 1.00 0.00 O ATOM 397 CB ASN A 24 -4.033 1.514 15.331 1.00 0.00 C ATOM 398 CG ASN A 24 -2.848 1.203 16.246 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.013 0.361 15.959 1.00 0.00 O ATOM 400 ND2 ASN A 24 -2.820 1.927 17.361 1.00 0.00 N ATOM 0 H ASN A 24 -5.194 1.195 13.154 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.138 -0.619 15.064 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.677 1.992 14.419 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.700 2.222 15.822 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.068 1.794 18.037 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.551 2.616 17.540 1.00 0.00 H new ATOM 407 N LYS A 25 -7.076 0.776 15.574 1.00 0.00 N ATOM 408 CA LYS A 25 -8.276 0.752 16.394 1.00 0.00 C ATOM 409 C LYS A 25 -8.638 -0.699 16.717 1.00 0.00 C ATOM 410 O LYS A 25 -9.338 -0.966 17.693 1.00 0.00 O ATOM 411 CB LYS A 25 -9.405 1.530 15.714 1.00 0.00 C ATOM 412 CG LYS A 25 -9.675 2.850 16.440 1.00 0.00 C ATOM 413 CD LYS A 25 -10.856 3.590 15.810 1.00 0.00 C ATOM 414 CE LYS A 25 -12.079 3.552 16.728 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.011 4.653 16.396 1.00 0.00 N ATOM 0 H LYS A 25 -7.154 1.327 14.719 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.099 1.257 17.344 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.140 1.729 14.676 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.312 0.926 15.701 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.883 2.655 17.492 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.785 3.479 16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.577 4.625 15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.103 3.137 14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.588 2.594 16.626 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.763 3.636 17.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.836 4.612 17.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.527 5.566 16.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.326 4.556 15.410 1.00 0.00 H new ATOM 429 N GLU A 26 -8.144 -1.600 15.880 1.00 0.00 N ATOM 430 CA GLU A 26 -8.406 -3.017 16.064 1.00 0.00 C ATOM 431 C GLU A 26 -7.250 -3.677 16.819 1.00 0.00 C ATOM 432 O GLU A 26 -7.424 -4.730 17.429 1.00 0.00 O ATOM 433 CB GLU A 26 -8.650 -3.709 14.722 1.00 0.00 C ATOM 434 CG GLU A 26 -9.797 -3.040 13.961 1.00 0.00 C ATOM 435 CD GLU A 26 -11.150 -3.411 14.571 1.00 0.00 C ATOM 436 OE1 GLU A 26 -11.460 -4.621 14.570 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.843 -2.475 15.025 1.00 0.00 O ATOM 0 H GLU A 26 -7.563 -1.375 15.072 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.312 -3.124 16.660 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.741 -3.675 14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.883 -4.761 14.888 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.669 -1.958 13.982 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.770 -3.344 12.915 1.00 0.00 H new ATOM 444 N GLY A 27 -6.096 -3.029 16.753 1.00 0.00 N ATOM 445 CA GLY A 27 -4.912 -3.540 17.422 1.00 0.00 C ATOM 446 C GLY A 27 -3.959 -4.199 16.423 1.00 0.00 C ATOM 447 O GLY A 27 -3.012 -4.877 16.818 1.00 0.00 O ATOM 0 H GLY A 27 -5.956 -2.155 16.247 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.400 -2.726 17.935 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.204 -4.264 18.183 1.00 0.00 H new ATOM 451 N TYR A 28 -4.241 -3.975 15.148 1.00 0.00 N ATOM 452 CA TYR A 28 -3.421 -4.538 14.090 1.00 0.00 C ATOM 453 C TYR A 28 -2.006 -3.958 14.125 1.00 0.00 C ATOM 454 O TYR A 28 -1.810 -2.814 14.531 1.00 0.00 O ATOM 455 CB TYR A 28 -4.092 -4.134 12.775 1.00 0.00 C ATOM 456 CG TYR A 28 -5.559 -4.558 12.670 1.00 0.00 C ATOM 457 CD1 TYR A 28 -6.070 -5.497 13.542 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.370 -3.999 11.703 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.450 -5.896 13.442 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.750 -4.398 11.604 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.222 -5.326 12.478 1.00 0.00 C ATOM 462 OH TYR A 28 -9.526 -5.702 12.385 1.00 0.00 O ATOM 0 H TYR A 28 -5.027 -3.411 14.824 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.339 -5.619 14.203 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.028 -3.052 12.664 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.537 -4.573 11.946 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.435 -5.933 14.299 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.970 -3.263 11.021 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.863 -6.631 14.117 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.396 -3.969 10.852 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.956 -5.213 11.653 1.00 0.00 H new ATOM 472 N GLN A 29 -1.055 -4.774 13.695 1.00 0.00 N ATOM 473 CA GLN A 29 0.336 -4.356 13.672 1.00 0.00 C ATOM 474 C GLN A 29 0.677 -3.716 12.325 1.00 0.00 C ATOM 475 O GLN A 29 0.757 -4.405 11.309 1.00 0.00 O ATOM 476 CB GLN A 29 1.268 -5.533 13.970 1.00 0.00 C ATOM 477 CG GLN A 29 2.193 -5.215 15.147 1.00 0.00 C ATOM 478 CD GLN A 29 3.087 -6.412 15.480 1.00 0.00 C ATOM 479 OE1 GLN A 29 2.813 -7.194 16.375 1.00 0.00 O ATOM 480 NE2 GLN A 29 4.168 -6.510 14.711 1.00 0.00 N ATOM 0 H GLN A 29 -1.221 -5.723 13.360 1.00 0.00 H new ATOM 0 HA GLN A 29 0.483 -3.611 14.454 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.678 -6.421 14.196 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.864 -5.763 13.086 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.811 -4.351 14.905 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.598 -4.947 16.020 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.337 -5.820 13.979 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.828 -7.275 14.854 1.00 0.00 H new ATOM 489 N THR A 30 0.867 -2.405 12.360 1.00 0.00 N ATOM 490 CA THR A 30 1.197 -1.665 11.154 1.00 0.00 C ATOM 491 C THR A 30 2.582 -1.027 11.281 1.00 0.00 C ATOM 492 O THR A 30 2.934 -0.506 12.339 1.00 0.00 O ATOM 493 CB THR A 30 0.081 -0.649 10.903 1.00 0.00 C ATOM 494 OG1 THR A 30 0.019 0.105 12.111 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.297 -1.305 10.803 1.00 0.00 C ATOM 0 H THR A 30 0.799 -1.837 13.204 1.00 0.00 H new ATOM 0 HA THR A 30 1.256 -2.325 10.289 1.00 0.00 H new ATOM 0 HB THR A 30 0.290 -0.101 9.984 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.637 0.826 12.013 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.052 -0.540 10.625 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.301 -2.018 9.979 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.521 -1.825 11.734 1.00 0.00 H new ATOM 503 N PHE A 31 3.330 -1.089 10.189 1.00 0.00 N ATOM 504 CA PHE A 31 4.668 -0.524 10.166 1.00 0.00 C ATOM 505 C PHE A 31 4.834 0.444 8.992 1.00 0.00 C ATOM 506 O PHE A 31 4.026 0.445 8.065 1.00 0.00 O ATOM 507 CB PHE A 31 5.643 -1.690 9.992 1.00 0.00 C ATOM 508 CG PHE A 31 6.682 -1.805 11.110 1.00 0.00 C ATOM 509 CD1 PHE A 31 6.404 -2.534 12.223 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.882 -1.177 10.989 1.00 0.00 C ATOM 511 CE1 PHE A 31 7.369 -2.641 13.261 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.846 -1.284 12.026 1.00 0.00 C ATOM 513 CZ PHE A 31 8.569 -2.013 13.140 1.00 0.00 C ATOM 0 H PHE A 31 3.035 -1.522 9.314 1.00 0.00 H new ATOM 0 HA PHE A 31 4.855 0.028 11.087 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.076 -2.620 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.160 -1.578 9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.450 -3.032 12.319 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.102 -0.597 10.105 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.149 -3.221 14.145 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.800 -0.786 11.930 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.302 -2.093 13.929 1.00 0.00 H new ATOM 523 N GLN A 32 5.888 1.243 9.071 1.00 0.00 N ATOM 524 CA GLN A 32 6.171 2.213 8.026 1.00 0.00 C ATOM 525 C GLN A 32 7.558 1.963 7.431 1.00 0.00 C ATOM 526 O GLN A 32 8.435 1.418 8.099 1.00 0.00 O ATOM 527 CB GLN A 32 6.052 3.643 8.559 1.00 0.00 C ATOM 528 CG GLN A 32 4.667 3.890 9.161 1.00 0.00 C ATOM 529 CD GLN A 32 4.777 4.564 10.531 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.803 5.110 10.902 1.00 0.00 O ATOM 531 NE2 GLN A 32 3.666 4.495 11.258 1.00 0.00 N ATOM 0 H GLN A 32 6.556 1.239 9.842 1.00 0.00 H new ATOM 0 HA GLN A 32 5.431 2.092 7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.818 3.818 9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.233 4.352 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.081 4.517 8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.135 2.944 9.259 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.842 4.022 10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.638 4.915 12.187 1.00 0.00 H new ATOM 540 N ALA A 33 7.713 2.374 6.181 1.00 0.00 N ATOM 541 CA ALA A 33 8.979 2.202 5.489 1.00 0.00 C ATOM 542 C ALA A 33 9.356 3.511 4.792 1.00 0.00 C ATOM 543 O ALA A 33 8.534 4.418 4.680 1.00 0.00 O ATOM 544 CB ALA A 33 8.870 1.031 4.510 1.00 0.00 C ATOM 0 H ALA A 33 6.983 2.825 5.630 1.00 0.00 H new ATOM 0 HA ALA A 33 9.774 1.964 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.819 0.901 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.629 0.120 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.084 1.236 3.783 1.00 0.00 H new ATOM 550 N ALA A 34 10.601 3.567 4.343 1.00 0.00 N ATOM 551 CA ALA A 34 11.098 4.750 3.660 1.00 0.00 C ATOM 552 C ALA A 34 11.783 4.332 2.357 1.00 0.00 C ATOM 553 O ALA A 34 12.874 4.805 2.046 1.00 0.00 O ATOM 554 CB ALA A 34 12.037 5.520 4.591 1.00 0.00 C ATOM 0 H ALA A 34 11.281 2.813 4.439 1.00 0.00 H new ATOM 0 HA ALA A 34 10.276 5.417 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.410 6.407 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.495 5.820 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.876 4.883 4.870 1.00 0.00 H new ATOM 560 N ASN A 35 11.112 3.450 1.631 1.00 0.00 N ATOM 561 CA ASN A 35 11.642 2.963 0.368 1.00 0.00 C ATOM 562 C ASN A 35 10.953 1.646 0.005 1.00 0.00 C ATOM 563 O ASN A 35 10.056 1.194 0.715 1.00 0.00 O ATOM 564 CB ASN A 35 13.146 2.698 0.468 1.00 0.00 C ATOM 565 CG ASN A 35 13.943 3.788 -0.251 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.462 4.450 -1.156 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.185 3.936 0.200 1.00 0.00 N ATOM 0 H ASN A 35 10.207 3.060 1.893 1.00 0.00 H new ATOM 0 HA ASN A 35 11.459 3.724 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.443 2.657 1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.377 1.726 0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.798 4.637 -0.215 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.525 3.348 0.961 1.00 0.00 H new ATOM 574 N GLY A 36 11.399 1.067 -1.100 1.00 0.00 N ATOM 575 CA GLY A 36 10.836 -0.189 -1.567 1.00 0.00 C ATOM 576 C GLY A 36 11.474 -1.377 -0.845 1.00 0.00 C ATOM 577 O GLY A 36 10.772 -2.248 -0.334 1.00 0.00 O ATOM 0 H GLY A 36 12.144 1.444 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.759 -0.193 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.993 -0.285 -2.641 1.00 0.00 H new ATOM 581 N LEU A 37 12.799 -1.374 -0.825 1.00 0.00 N ATOM 582 CA LEU A 37 13.540 -2.441 -0.174 1.00 0.00 C ATOM 583 C LEU A 37 13.108 -2.537 1.290 1.00 0.00 C ATOM 584 O LEU A 37 12.693 -3.600 1.751 1.00 0.00 O ATOM 585 CB LEU A 37 15.045 -2.238 -0.359 1.00 0.00 C ATOM 586 CG LEU A 37 15.821 -3.436 -0.910 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.021 -2.977 -1.741 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.234 -4.387 0.215 1.00 0.00 C ATOM 0 H LEU A 37 13.378 -0.650 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 37 13.312 -3.401 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.198 -1.392 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.476 -1.963 0.604 1.00 0.00 H new ATOM 0 HG LEU A 37 15.161 -3.992 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.555 -3.848 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.674 -2.371 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.690 -2.384 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.784 -5.230 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.869 -3.857 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.344 -4.753 0.727 1.00 0.00 H new ATOM 600 N GLN A 38 13.219 -1.412 1.982 1.00 0.00 N ATOM 601 CA GLN A 38 12.844 -1.356 3.384 1.00 0.00 C ATOM 602 C GLN A 38 11.459 -1.972 3.589 1.00 0.00 C ATOM 603 O GLN A 38 11.158 -2.488 4.665 1.00 0.00 O ATOM 604 CB GLN A 38 12.887 0.082 3.906 1.00 0.00 C ATOM 605 CG GLN A 38 14.222 0.376 4.593 1.00 0.00 C ATOM 606 CD GLN A 38 14.550 1.870 4.537 1.00 0.00 C ATOM 607 OE1 GLN A 38 14.629 2.475 3.481 1.00 0.00 O ATOM 608 NE2 GLN A 38 14.735 2.428 5.730 1.00 0.00 N ATOM 0 H GLN A 38 13.563 -0.532 1.597 1.00 0.00 H new ATOM 0 HA GLN A 38 13.567 -1.938 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.738 0.777 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.069 0.242 4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.181 0.048 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.017 -0.193 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.654 1.863 6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.958 3.421 5.800 1.00 0.00 H new ATOM 617 N ALA A 39 10.653 -1.899 2.540 1.00 0.00 N ATOM 618 CA ALA A 39 9.307 -2.443 2.592 1.00 0.00 C ATOM 619 C ALA A 39 9.352 -3.937 2.262 1.00 0.00 C ATOM 620 O ALA A 39 8.533 -4.710 2.755 1.00 0.00 O ATOM 621 CB ALA A 39 8.403 -1.662 1.636 1.00 0.00 C ATOM 0 H ALA A 39 10.906 -1.471 1.649 1.00 0.00 H new ATOM 0 HA ALA A 39 8.890 -2.339 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.393 -2.070 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.382 -0.613 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.789 -1.746 0.620 1.00 0.00 H new ATOM 627 N LEU A 40 10.318 -4.297 1.429 1.00 0.00 N ATOM 628 CA LEU A 40 10.481 -5.683 1.027 1.00 0.00 C ATOM 629 C LEU A 40 10.815 -6.530 2.256 1.00 0.00 C ATOM 630 O LEU A 40 10.288 -7.630 2.419 1.00 0.00 O ATOM 631 CB LEU A 40 11.512 -5.798 -0.098 1.00 0.00 C ATOM 632 CG LEU A 40 10.991 -5.545 -1.514 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.027 -5.959 -2.561 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.645 -6.238 -1.735 1.00 0.00 C ATOM 0 H LEU A 40 10.995 -3.652 1.022 1.00 0.00 H new ATOM 0 HA LEU A 40 9.550 -6.072 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.319 -5.093 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.946 -6.797 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 40 10.825 -4.474 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.632 -5.769 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.941 -5.382 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.248 -7.021 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.297 -6.042 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.761 -7.312 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.916 -5.854 -1.021 1.00 0.00 H new ATOM 646 N ASP A 41 11.689 -5.986 3.091 1.00 0.00 N ATOM 647 CA ASP A 41 12.099 -6.678 4.300 1.00 0.00 C ATOM 648 C ASP A 41 10.961 -6.631 5.321 1.00 0.00 C ATOM 649 O ASP A 41 10.528 -7.668 5.822 1.00 0.00 O ATOM 650 CB ASP A 41 13.324 -6.010 4.928 1.00 0.00 C ATOM 651 CG ASP A 41 14.259 -6.955 5.685 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.639 -7.981 5.082 1.00 0.00 O ATOM 653 OD2 ASP A 41 14.573 -6.629 6.851 1.00 0.00 O ATOM 0 H ASP A 41 12.124 -5.074 2.953 1.00 0.00 H new ATOM 0 HA ASP A 41 12.345 -7.706 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.892 -5.514 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.984 -5.233 5.613 1.00 0.00 H new ATOM 658 N ILE A 42 10.507 -5.417 5.599 1.00 0.00 N ATOM 659 CA ILE A 42 9.427 -5.222 6.551 1.00 0.00 C ATOM 660 C ILE A 42 8.185 -5.975 6.069 1.00 0.00 C ATOM 661 O ILE A 42 7.345 -6.373 6.874 1.00 0.00 O ATOM 662 CB ILE A 42 9.187 -3.730 6.790 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.253 -3.145 7.719 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.771 -3.479 7.313 1.00 0.00 C ATOM 665 CD1 ILE A 42 9.743 -3.068 9.159 1.00 0.00 C ATOM 0 H ILE A 42 10.868 -4.559 5.181 1.00 0.00 H new ATOM 0 HA ILE A 42 9.695 -5.638 7.522 1.00 0.00 H new ATOM 0 HB ILE A 42 9.274 -3.213 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.152 -3.761 7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.533 -2.149 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.627 -2.411 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.045 -3.837 6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.631 -4.010 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.520 -2.649 9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.859 -2.432 9.198 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.486 -4.068 9.508 1.00 0.00 H new ATOM 677 N VAL A 43 8.109 -6.146 4.757 1.00 0.00 N ATOM 678 CA VAL A 43 6.984 -6.844 4.158 1.00 0.00 C ATOM 679 C VAL A 43 6.790 -8.188 4.863 1.00 0.00 C ATOM 680 O VAL A 43 5.719 -8.460 5.405 1.00 0.00 O ATOM 681 CB VAL A 43 7.199 -6.986 2.650 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.813 -8.386 2.170 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.427 -5.910 1.883 1.00 0.00 C ATOM 0 H VAL A 43 8.808 -5.813 4.093 1.00 0.00 H new ATOM 0 HA VAL A 43 6.066 -6.272 4.289 1.00 0.00 H new ATOM 0 HB VAL A 43 8.261 -6.845 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.976 -8.460 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.426 -9.128 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.762 -8.570 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.597 -6.033 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.362 -6.006 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.772 -4.924 2.194 1.00 0.00 H new ATOM 693 N THR A 44 7.841 -8.994 4.832 1.00 0.00 N ATOM 694 CA THR A 44 7.800 -10.303 5.461 1.00 0.00 C ATOM 695 C THR A 44 7.960 -10.172 6.977 1.00 0.00 C ATOM 696 O THR A 44 7.340 -10.913 7.737 1.00 0.00 O ATOM 697 CB THR A 44 8.875 -11.175 4.810 1.00 0.00 C ATOM 698 OG1 THR A 44 8.626 -11.047 3.413 1.00 0.00 O ATOM 699 CG2 THR A 44 8.670 -12.665 5.090 1.00 0.00 C ATOM 0 H THR A 44 8.727 -8.766 4.381 1.00 0.00 H new ATOM 0 HA THR A 44 6.834 -10.784 5.308 1.00 0.00 H new ATOM 0 HB THR A 44 9.857 -10.870 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.280 -11.580 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.460 -13.238 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.702 -12.841 6.165 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.702 -12.979 4.699 1.00 0.00 H new ATOM 707 N LYS A 45 8.797 -9.223 7.372 1.00 0.00 N ATOM 708 CA LYS A 45 9.047 -8.985 8.783 1.00 0.00 C ATOM 709 C LYS A 45 7.722 -8.685 9.488 1.00 0.00 C ATOM 710 O LYS A 45 7.488 -9.152 10.601 1.00 0.00 O ATOM 711 CB LYS A 45 10.100 -7.890 8.963 1.00 0.00 C ATOM 712 CG LYS A 45 11.250 -8.376 9.847 1.00 0.00 C ATOM 713 CD LYS A 45 11.537 -7.379 10.972 1.00 0.00 C ATOM 714 CE LYS A 45 13.039 -7.122 11.108 1.00 0.00 C ATOM 715 NZ LYS A 45 13.763 -8.391 11.342 1.00 0.00 N ATOM 0 H LYS A 45 9.310 -8.610 6.739 1.00 0.00 H new ATOM 0 HA LYS A 45 9.464 -9.877 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.487 -7.589 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.640 -7.008 9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.000 -9.348 10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.146 -8.514 9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.021 -6.440 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.144 -7.764 11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.415 -6.643 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.223 -6.434 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.679 -8.190 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.198 -9.003 11.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.922 -8.873 10.434 1.00 0.00 H new ATOM 729 N GLU A 46 6.890 -7.909 8.810 1.00 0.00 N ATOM 730 CA GLU A 46 5.595 -7.542 9.357 1.00 0.00 C ATOM 731 C GLU A 46 4.487 -8.362 8.694 1.00 0.00 C ATOM 732 O GLU A 46 3.326 -8.282 9.094 1.00 0.00 O ATOM 733 CB GLU A 46 5.337 -6.042 9.198 1.00 0.00 C ATOM 734 CG GLU A 46 5.629 -5.294 10.500 1.00 0.00 C ATOM 735 CD GLU A 46 4.334 -4.820 11.162 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.537 -4.172 10.449 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.170 -5.115 12.365 1.00 0.00 O ATOM 0 H GLU A 46 7.087 -7.524 7.886 1.00 0.00 H new ATOM 0 HA GLU A 46 5.597 -7.766 10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.962 -5.645 8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.300 -5.877 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.174 -5.945 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.272 -4.438 10.295 1.00 0.00 H new ATOM 744 N ARG A 47 4.884 -9.132 7.692 1.00 0.00 N ATOM 745 CA ARG A 47 3.938 -9.967 6.969 1.00 0.00 C ATOM 746 C ARG A 47 2.527 -9.385 7.077 1.00 0.00 C ATOM 747 O ARG A 47 1.621 -10.038 7.592 1.00 0.00 O ATOM 748 CB ARG A 47 3.936 -11.396 7.515 1.00 0.00 C ATOM 749 CG ARG A 47 3.631 -11.411 9.014 1.00 0.00 C ATOM 750 CD ARG A 47 2.547 -12.439 9.342 1.00 0.00 C ATOM 751 NE ARG A 47 3.018 -13.799 8.998 1.00 0.00 N ATOM 752 CZ ARG A 47 3.886 -14.503 9.738 1.00 0.00 C ATOM 753 NH1 ARG A 47 4.382 -13.980 10.867 1.00 0.00 N ATOM 754 NH2 ARG A 47 4.257 -15.730 9.349 1.00 0.00 N ATOM 0 H ARG A 47 5.847 -9.196 7.363 1.00 0.00 H new ATOM 0 HA ARG A 47 4.247 -9.990 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.193 -11.991 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.906 -11.860 7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.538 -11.644 9.571 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.306 -10.420 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.296 -12.389 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.637 -12.209 8.788 1.00 0.00 H new ATOM 0 HE ARG A 47 2.660 -14.227 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.099 -13.046 11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.043 -14.516 11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.879 -16.129 8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.918 -16.266 9.912 1.00 0.00 H new ATOM 768 N PRO A 48 2.382 -8.132 6.569 1.00 0.00 N ATOM 769 CA PRO A 48 1.096 -7.455 6.603 1.00 0.00 C ATOM 770 C PRO A 48 0.146 -8.029 5.550 1.00 0.00 C ATOM 771 O PRO A 48 0.589 -8.614 4.562 1.00 0.00 O ATOM 772 CB PRO A 48 1.418 -5.987 6.375 1.00 0.00 C ATOM 773 CG PRO A 48 2.809 -5.956 5.762 1.00 0.00 C ATOM 774 CD PRO A 48 3.433 -7.329 5.952 1.00 0.00 C ATOM 0 HA PRO A 48 0.574 -7.592 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.688 -5.526 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.392 -5.431 7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.754 -5.705 4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.420 -5.190 6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.750 -7.755 5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.317 -7.278 6.588 1.00 0.00 H new ATOM 782 N ASP A 49 -1.142 -7.843 5.797 1.00 0.00 N ATOM 783 CA ASP A 49 -2.158 -8.335 4.882 1.00 0.00 C ATOM 784 C ASP A 49 -2.393 -7.298 3.782 1.00 0.00 C ATOM 785 O ASP A 49 -3.217 -7.507 2.893 1.00 0.00 O ATOM 786 CB ASP A 49 -3.486 -8.565 5.606 1.00 0.00 C ATOM 787 CG ASP A 49 -3.559 -9.852 6.429 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.478 -10.319 6.849 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.694 -10.340 6.620 1.00 0.00 O ATOM 0 H ASP A 49 -1.506 -7.358 6.618 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.807 -9.278 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.674 -7.718 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.288 -8.578 4.868 1.00 0.00 H new ATOM 794 N LEU A 50 -1.653 -6.203 3.877 1.00 0.00 N ATOM 795 CA LEU A 50 -1.770 -5.133 2.901 1.00 0.00 C ATOM 796 C LEU A 50 -0.588 -4.174 3.057 1.00 0.00 C ATOM 797 O LEU A 50 -0.066 -4.001 4.157 1.00 0.00 O ATOM 798 CB LEU A 50 -3.135 -4.451 3.015 1.00 0.00 C ATOM 799 CG LEU A 50 -3.808 -4.070 1.695 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.740 -5.225 0.693 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.244 -3.597 1.927 1.00 0.00 C ATOM 0 H LEU A 50 -0.970 -6.034 4.615 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.723 -5.534 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.805 -5.113 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.019 -3.548 3.614 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.260 -3.233 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.225 -4.929 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.697 -5.474 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.249 -6.096 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.699 -3.333 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.819 -4.396 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.239 -2.725 2.580 1.00 0.00 H new ATOM 813 N VAL A 51 -0.201 -3.577 1.939 1.00 0.00 N ATOM 814 CA VAL A 51 0.910 -2.640 1.938 1.00 0.00 C ATOM 815 C VAL A 51 0.536 -1.414 1.103 1.00 0.00 C ATOM 816 O VAL A 51 -0.146 -1.535 0.086 1.00 0.00 O ATOM 817 CB VAL A 51 2.180 -3.335 1.445 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.380 -2.387 1.497 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.453 -4.610 2.245 1.00 0.00 C ATOM 0 H VAL A 51 -0.637 -3.724 1.028 1.00 0.00 H new ATOM 0 HA VAL A 51 1.118 -2.293 2.950 1.00 0.00 H new ATOM 0 HB VAL A 51 2.023 -3.620 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.270 -2.906 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.187 -1.521 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.539 -2.057 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.361 -5.085 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.579 -4.359 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.614 -5.296 2.133 1.00 0.00 H new ATOM 829 N LEU A 52 0.999 -0.261 1.562 1.00 0.00 N ATOM 830 CA LEU A 52 0.722 0.986 0.870 1.00 0.00 C ATOM 831 C LEU A 52 2.044 1.654 0.482 1.00 0.00 C ATOM 832 O LEU A 52 2.857 1.977 1.346 1.00 0.00 O ATOM 833 CB LEU A 52 -0.191 1.877 1.714 1.00 0.00 C ATOM 834 CG LEU A 52 -0.101 3.380 1.443 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.472 4.045 1.581 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.948 4.037 2.342 1.00 0.00 C ATOM 0 H LEU A 52 1.565 -0.164 2.405 1.00 0.00 H new ATOM 0 HA LEU A 52 0.177 0.795 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.222 1.561 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.037 1.704 2.766 1.00 0.00 H new ATOM 0 HG LEU A 52 0.224 3.523 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.380 5.113 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.165 3.602 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.849 3.894 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.992 5.105 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.678 3.886 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.923 3.589 2.151 1.00 0.00 H new ATOM 848 N LEU A 53 2.216 1.839 -0.819 1.00 0.00 N ATOM 849 CA LEU A 53 3.425 2.462 -1.332 1.00 0.00 C ATOM 850 C LEU A 53 3.045 3.561 -2.326 1.00 0.00 C ATOM 851 O LEU A 53 2.107 3.400 -3.106 1.00 0.00 O ATOM 852 CB LEU A 53 4.367 1.406 -1.912 1.00 0.00 C ATOM 853 CG LEU A 53 5.653 1.933 -2.551 1.00 0.00 C ATOM 854 CD1 LEU A 53 5.376 2.524 -3.935 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.353 2.934 -1.630 1.00 0.00 C ATOM 0 H LEU A 53 1.539 1.569 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 53 3.979 2.940 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.638 0.713 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.821 0.833 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 53 6.334 1.093 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.307 2.891 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.955 1.754 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.668 3.348 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.264 3.293 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.689 3.776 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.605 2.447 -0.688 1.00 0.00 H new ATOM 867 N ASP A 54 3.792 4.653 -2.267 1.00 0.00 N ATOM 868 CA ASP A 54 3.545 5.778 -3.152 1.00 0.00 C ATOM 869 C ASP A 54 4.639 5.830 -4.221 1.00 0.00 C ATOM 870 O ASP A 54 5.791 5.496 -3.952 1.00 0.00 O ATOM 871 CB ASP A 54 3.572 7.101 -2.384 1.00 0.00 C ATOM 872 CG ASP A 54 4.099 8.298 -3.176 1.00 0.00 C ATOM 873 OD1 ASP A 54 3.698 8.421 -4.354 1.00 0.00 O ATOM 874 OD2 ASP A 54 4.892 9.065 -2.587 1.00 0.00 O ATOM 0 H ASP A 54 4.569 4.783 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 54 2.561 5.643 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.561 7.327 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.188 6.974 -1.494 1.00 0.00 H new ATOM 879 N MET A 55 4.239 6.251 -5.412 1.00 0.00 N ATOM 880 CA MET A 55 5.170 6.351 -6.523 1.00 0.00 C ATOM 881 C MET A 55 6.297 7.336 -6.206 1.00 0.00 C ATOM 882 O MET A 55 7.473 6.983 -6.278 1.00 0.00 O ATOM 883 CB MET A 55 4.424 6.814 -7.775 1.00 0.00 C ATOM 884 CG MET A 55 3.190 5.946 -8.031 1.00 0.00 C ATOM 885 SD MET A 55 3.630 4.218 -7.940 1.00 0.00 S ATOM 886 CE MET A 55 3.348 3.918 -6.203 1.00 0.00 C ATOM 0 H MET A 55 3.282 6.527 -5.632 1.00 0.00 H new ATOM 0 HA MET A 55 5.609 5.368 -6.694 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.123 7.855 -7.659 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.090 6.769 -8.637 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.417 6.172 -7.296 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.773 6.172 -9.012 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.034 2.884 -6.059 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.269 4.098 -5.648 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.569 4.588 -5.840 1.00 0.00 H new ATOM 896 N LYS A 56 5.898 8.552 -5.863 1.00 0.00 N ATOM 897 CA LYS A 56 6.860 9.591 -5.535 1.00 0.00 C ATOM 898 C LYS A 56 7.648 9.175 -4.291 1.00 0.00 C ATOM 899 O LYS A 56 7.086 8.605 -3.357 1.00 0.00 O ATOM 900 CB LYS A 56 6.160 10.944 -5.396 1.00 0.00 C ATOM 901 CG LYS A 56 6.687 11.942 -6.429 1.00 0.00 C ATOM 902 CD LYS A 56 6.332 11.500 -7.850 1.00 0.00 C ATOM 903 CE LYS A 56 7.273 12.139 -8.874 1.00 0.00 C ATOM 904 NZ LYS A 56 6.755 11.942 -10.246 1.00 0.00 N ATOM 0 H LYS A 56 4.922 8.841 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 56 7.581 9.713 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.085 10.816 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.317 11.337 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.265 12.928 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.769 12.033 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.393 10.414 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.302 11.777 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.376 13.204 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.267 11.700 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.405 12.381 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.679 10.924 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.816 12.382 -10.329 1.00 0.00 H new ATOM 918 N ILE A 57 8.938 9.478 -4.318 1.00 0.00 N ATOM 919 CA ILE A 57 9.809 9.144 -3.205 1.00 0.00 C ATOM 920 C ILE A 57 11.134 9.893 -3.356 1.00 0.00 C ATOM 921 O ILE A 57 11.449 10.392 -4.436 1.00 0.00 O ATOM 922 CB ILE A 57 9.970 7.627 -3.087 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.389 6.917 -4.312 1.00 0.00 C ATOM 924 CG2 ILE A 57 9.361 7.110 -1.783 1.00 0.00 C ATOM 925 CD1 ILE A 57 9.944 5.497 -4.438 1.00 0.00 C ATOM 0 H ILE A 57 9.401 9.952 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 57 9.365 9.469 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 57 11.035 7.398 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.302 6.881 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.626 7.485 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.489 6.029 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.861 7.581 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.298 7.351 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.515 5.015 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.028 5.538 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.685 4.925 -3.547 1.00 0.00 H new ATOM 937 N PRO A 58 11.894 9.951 -2.230 1.00 0.00 N ATOM 938 CA PRO A 58 13.178 10.631 -2.227 1.00 0.00 C ATOM 939 C PRO A 58 14.242 9.797 -2.944 1.00 0.00 C ATOM 940 O PRO A 58 14.451 8.632 -2.611 1.00 0.00 O ATOM 941 CB PRO A 58 13.496 10.865 -0.760 1.00 0.00 C ATOM 942 CG PRO A 58 12.613 9.902 0.017 1.00 0.00 C ATOM 943 CD PRO A 58 11.552 9.372 -0.934 1.00 0.00 C ATOM 0 HA PRO A 58 13.155 11.575 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.550 10.680 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.292 11.897 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.206 9.082 0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.149 10.408 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.562 8.283 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.552 9.670 -0.618 1.00 0.00 H new ATOM 951 N GLY A 59 14.886 10.427 -3.916 1.00 0.00 N ATOM 952 CA GLY A 59 15.923 9.758 -4.682 1.00 0.00 C ATOM 953 C GLY A 59 15.401 8.454 -5.290 1.00 0.00 C ATOM 954 O GLY A 59 15.153 7.486 -4.572 1.00 0.00 O ATOM 0 H GLY A 59 14.709 11.393 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.277 10.417 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.777 9.547 -4.038 1.00 0.00 H new ATOM 958 N MET A 60 15.249 8.471 -6.606 1.00 0.00 N ATOM 959 CA MET A 60 14.761 7.303 -7.318 1.00 0.00 C ATOM 960 C MET A 60 13.284 7.050 -7.010 1.00 0.00 C ATOM 961 O MET A 60 12.907 6.884 -5.851 1.00 0.00 O ATOM 962 CB MET A 60 15.583 6.077 -6.914 1.00 0.00 C ATOM 963 CG MET A 60 14.675 4.887 -6.599 1.00 0.00 C ATOM 964 SD MET A 60 15.614 3.370 -6.658 1.00 0.00 S ATOM 965 CE MET A 60 14.327 2.227 -7.128 1.00 0.00 C ATOM 0 H MET A 60 15.455 9.276 -7.198 1.00 0.00 H new ATOM 0 HA MET A 60 14.864 7.485 -8.388 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.268 5.813 -7.719 1.00 0.00 H new ATOM 0 HB3 MET A 60 16.192 6.315 -6.042 1.00 0.00 H new ATOM 0 HG2 MET A 60 14.229 5.010 -5.612 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.855 4.845 -7.316 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.607 1.218 -6.824 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.395 2.507 -6.638 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.192 2.256 -8.209 1.00 0.00 H new ATOM 975 N ASP A 61 12.486 7.030 -8.068 1.00 0.00 N ATOM 976 CA ASP A 61 11.059 6.801 -7.925 1.00 0.00 C ATOM 977 C ASP A 61 10.808 5.314 -7.670 1.00 0.00 C ATOM 978 O ASP A 61 11.722 4.498 -7.785 1.00 0.00 O ATOM 979 CB ASP A 61 10.308 7.196 -9.199 1.00 0.00 C ATOM 980 CG ASP A 61 11.153 7.197 -10.474 1.00 0.00 C ATOM 981 OD1 ASP A 61 11.633 6.102 -10.838 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.300 8.293 -11.056 1.00 0.00 O ATOM 0 H ASP A 61 12.801 7.169 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 61 10.702 7.407 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.471 6.511 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.886 8.191 -9.060 1.00 0.00 H new ATOM 987 N GLY A 62 9.566 5.006 -7.329 1.00 0.00 N ATOM 988 CA GLY A 62 9.184 3.631 -7.056 1.00 0.00 C ATOM 989 C GLY A 62 8.772 2.911 -8.342 1.00 0.00 C ATOM 990 O GLY A 62 7.792 2.167 -8.355 1.00 0.00 O ATOM 0 H GLY A 62 8.811 5.685 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.017 3.104 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.358 3.614 -6.345 1.00 0.00 H new ATOM 994 N ILE A 63 9.541 3.157 -9.392 1.00 0.00 N ATOM 995 CA ILE A 63 9.268 2.542 -10.680 1.00 0.00 C ATOM 996 C ILE A 63 9.927 1.162 -10.731 1.00 0.00 C ATOM 997 O ILE A 63 9.304 0.188 -11.150 1.00 0.00 O ATOM 998 CB ILE A 63 9.696 3.470 -11.819 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.808 4.715 -11.874 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.721 2.724 -13.154 1.00 0.00 C ATOM 1001 CD1 ILE A 63 7.669 4.532 -12.880 1.00 0.00 C ATOM 0 H ILE A 63 10.353 3.774 -9.377 1.00 0.00 H new ATOM 0 HA ILE A 63 8.197 2.390 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 63 10.713 3.808 -11.621 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.396 4.916 -10.885 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.408 5.582 -12.152 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.028 3.406 -13.946 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.427 1.895 -13.095 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.726 2.338 -13.374 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.053 5.431 -12.900 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.085 4.355 -13.872 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.057 3.679 -12.586 1.00 0.00 H new ATOM 1013 N GLU A 64 11.179 1.124 -10.299 1.00 0.00 N ATOM 1014 CA GLU A 64 11.930 -0.121 -10.290 1.00 0.00 C ATOM 1015 C GLU A 64 11.662 -0.893 -8.997 1.00 0.00 C ATOM 1016 O GLU A 64 11.767 -2.118 -8.969 1.00 0.00 O ATOM 1017 CB GLU A 64 13.426 0.140 -10.473 1.00 0.00 C ATOM 1018 CG GLU A 64 13.681 1.051 -11.676 1.00 0.00 C ATOM 1019 CD GLU A 64 14.098 0.237 -12.902 1.00 0.00 C ATOM 1020 OE1 GLU A 64 13.416 -0.777 -13.168 1.00 0.00 O ATOM 1021 OE2 GLU A 64 15.088 0.646 -13.546 1.00 0.00 O ATOM 0 H GLU A 64 11.692 1.935 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 64 11.596 -0.730 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.831 0.600 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.950 -0.806 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.780 1.621 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.461 1.772 -11.432 1.00 0.00 H new ATOM 1028 N ILE A 65 11.321 -0.144 -7.958 1.00 0.00 N ATOM 1029 CA ILE A 65 11.037 -0.743 -6.665 1.00 0.00 C ATOM 1030 C ILE A 65 9.848 -1.697 -6.800 1.00 0.00 C ATOM 1031 O ILE A 65 9.980 -2.896 -6.561 1.00 0.00 O ATOM 1032 CB ILE A 65 10.839 0.341 -5.604 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.154 0.656 -4.889 1.00 0.00 C ATOM 1034 CG2 ILE A 65 9.732 -0.049 -4.623 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.738 -0.600 -4.238 1.00 0.00 C ATOM 0 H ILE A 65 11.235 0.872 -7.986 1.00 0.00 H new ATOM 0 HA ILE A 65 11.886 -1.337 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 65 10.519 1.255 -6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.870 1.068 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.985 1.419 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.611 0.738 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.796 -0.183 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.999 -0.981 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.673 -0.349 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.030 -0.995 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.928 -1.352 -5.004 1.00 0.00 H new ATOM 1047 N LEU A 66 8.715 -1.128 -7.182 1.00 0.00 N ATOM 1048 CA LEU A 66 7.503 -1.913 -7.351 1.00 0.00 C ATOM 1049 C LEU A 66 7.745 -2.995 -8.406 1.00 0.00 C ATOM 1050 O LEU A 66 7.201 -4.094 -8.308 1.00 0.00 O ATOM 1051 CB LEU A 66 6.315 -1.002 -7.666 1.00 0.00 C ATOM 1052 CG LEU A 66 5.641 -0.339 -6.462 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.437 -1.343 -5.326 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.425 0.893 -6.005 1.00 0.00 C ATOM 0 H LEU A 66 8.610 -0.133 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 66 7.247 -2.424 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.653 -0.219 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.566 -1.586 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 66 4.653 0.004 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.957 -0.846 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.806 -2.161 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.403 -1.738 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.925 1.345 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.435 0.597 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.474 1.616 -6.820 1.00 0.00 H new ATOM 1066 N LYS A 67 8.561 -2.645 -9.390 1.00 0.00 N ATOM 1067 CA LYS A 67 8.881 -3.573 -10.461 1.00 0.00 C ATOM 1068 C LYS A 67 9.589 -4.797 -9.876 1.00 0.00 C ATOM 1069 O LYS A 67 9.064 -5.908 -9.932 1.00 0.00 O ATOM 1070 CB LYS A 67 9.678 -2.868 -11.560 1.00 0.00 C ATOM 1071 CG LYS A 67 8.858 -2.755 -12.846 1.00 0.00 C ATOM 1072 CD LYS A 67 9.761 -2.819 -14.080 1.00 0.00 C ATOM 1073 CE LYS A 67 9.835 -1.459 -14.776 1.00 0.00 C ATOM 1074 NZ LYS A 67 11.245 -1.051 -14.968 1.00 0.00 N ATOM 0 H LYS A 67 9.010 -1.732 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 67 7.970 -3.931 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.969 -1.874 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.597 -3.419 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.124 -3.560 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.302 -1.817 -12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.762 -3.136 -13.787 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.380 -3.567 -14.775 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.330 -1.510 -15.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.311 -0.711 -14.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.277 -0.090 -15.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.738 -1.065 -14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.711 -1.711 -15.623 1.00 0.00 H new ATOM 1088 N ARG A 68 10.770 -4.552 -9.328 1.00 0.00 N ATOM 1089 CA ARG A 68 11.555 -5.620 -8.733 1.00 0.00 C ATOM 1090 C ARG A 68 10.741 -6.341 -7.657 1.00 0.00 C ATOM 1091 O ARG A 68 10.966 -7.520 -7.389 1.00 0.00 O ATOM 1092 CB ARG A 68 12.842 -5.076 -8.111 1.00 0.00 C ATOM 1093 CG ARG A 68 14.011 -5.177 -9.092 1.00 0.00 C ATOM 1094 CD ARG A 68 15.250 -4.465 -8.545 1.00 0.00 C ATOM 1095 NE ARG A 68 15.960 -5.345 -7.590 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.604 -6.467 -7.939 1.00 0.00 C ATOM 1097 NH1 ARG A 68 16.632 -6.852 -9.222 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.220 -7.203 -7.004 1.00 0.00 N ATOM 0 H ARG A 68 11.202 -3.629 -9.284 1.00 0.00 H new ATOM 0 HA ARG A 68 11.816 -6.321 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.697 -4.036 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.075 -5.633 -7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.243 -6.225 -9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.727 -4.737 -10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.915 -4.193 -9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.958 -3.538 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 68 15.959 -5.081 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.163 -6.291 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.122 -7.706 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.198 -6.909 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.710 -8.057 -7.269 1.00 0.00 H new ATOM 1112 N MET A 69 9.812 -5.602 -7.068 1.00 0.00 N ATOM 1113 CA MET A 69 8.963 -6.156 -6.027 1.00 0.00 C ATOM 1114 C MET A 69 8.067 -7.264 -6.583 1.00 0.00 C ATOM 1115 O MET A 69 8.009 -8.359 -6.024 1.00 0.00 O ATOM 1116 CB MET A 69 8.094 -5.046 -5.432 1.00 0.00 C ATOM 1117 CG MET A 69 8.537 -4.707 -4.007 1.00 0.00 C ATOM 1118 SD MET A 69 8.156 -3.003 -3.639 1.00 0.00 S ATOM 1119 CE MET A 69 6.463 -3.173 -3.100 1.00 0.00 C ATOM 0 H MET A 69 9.629 -4.624 -7.292 1.00 0.00 H new ATOM 0 HA MET A 69 9.600 -6.584 -5.253 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.156 -4.156 -6.058 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.050 -5.360 -5.427 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.035 -5.362 -3.296 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.608 -4.880 -3.899 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.039 -2.186 -2.915 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.884 -3.677 -3.874 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.431 -3.760 -2.182 1.00 0.00 H new ATOM 1129 N LYS A 70 7.389 -6.942 -7.675 1.00 0.00 N ATOM 1130 CA LYS A 70 6.499 -7.897 -8.312 1.00 0.00 C ATOM 1131 C LYS A 70 7.327 -8.920 -9.092 1.00 0.00 C ATOM 1132 O LYS A 70 7.014 -10.109 -9.091 1.00 0.00 O ATOM 1133 CB LYS A 70 5.456 -7.171 -9.165 1.00 0.00 C ATOM 1134 CG LYS A 70 5.997 -6.888 -10.568 1.00 0.00 C ATOM 1135 CD LYS A 70 6.028 -8.164 -11.411 1.00 0.00 C ATOM 1136 CE LYS A 70 5.311 -7.956 -12.747 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.841 -8.886 -13.769 1.00 0.00 N ATOM 0 H LYS A 70 7.438 -6.033 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 70 5.935 -8.450 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.552 -7.777 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.175 -6.234 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.374 -6.139 -11.058 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.001 -6.470 -10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.061 -8.460 -11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.554 -8.978 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.240 -8.117 -12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.442 -6.927 -13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.344 -8.732 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.858 -8.714 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.694 -9.867 -13.456 1.00 0.00 H new ATOM 1151 N VAL A 71 8.369 -8.419 -9.739 1.00 0.00 N ATOM 1152 CA VAL A 71 9.246 -9.274 -10.522 1.00 0.00 C ATOM 1153 C VAL A 71 9.904 -10.302 -9.600 1.00 0.00 C ATOM 1154 O VAL A 71 10.237 -11.405 -10.032 1.00 0.00 O ATOM 1155 CB VAL A 71 10.260 -8.422 -11.288 1.00 0.00 C ATOM 1156 CG1 VAL A 71 11.101 -9.286 -12.230 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.562 -7.296 -12.054 1.00 0.00 C ATOM 0 H VAL A 71 8.626 -7.432 -9.737 1.00 0.00 H new ATOM 0 HA VAL A 71 8.675 -9.825 -11.269 1.00 0.00 H new ATOM 0 HB VAL A 71 10.932 -7.966 -10.561 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.814 -8.656 -12.762 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.641 -10.036 -11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.448 -9.782 -12.948 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.305 -6.705 -12.590 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.856 -7.724 -12.766 1.00 0.00 H new ATOM 0 HG23 VAL A 71 9.027 -6.656 -11.352 1.00 0.00 H new ATOM 1167 N ILE A 72 10.073 -9.904 -8.347 1.00 0.00 N ATOM 1168 CA ILE A 72 10.685 -10.778 -7.361 1.00 0.00 C ATOM 1169 C ILE A 72 9.683 -11.859 -6.950 1.00 0.00 C ATOM 1170 O ILE A 72 10.045 -13.026 -6.816 1.00 0.00 O ATOM 1171 CB ILE A 72 11.226 -9.962 -6.185 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.593 -9.360 -6.518 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.265 -10.802 -4.907 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.712 -10.374 -6.276 1.00 0.00 C ATOM 0 H ILE A 72 9.797 -8.988 -7.993 1.00 0.00 H new ATOM 0 HA ILE A 72 11.547 -11.289 -7.789 1.00 0.00 H new ATOM 0 HB ILE A 72 10.544 -9.131 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.608 -9.038 -7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.762 -8.473 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.653 -10.198 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.258 -11.141 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.912 -11.666 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.673 -9.921 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.709 -10.676 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.553 -11.249 -6.906 1.00 0.00 H new ATOM 1186 N ASP A 73 8.443 -11.430 -6.763 1.00 0.00 N ATOM 1187 CA ASP A 73 7.386 -12.347 -6.370 1.00 0.00 C ATOM 1188 C ASP A 73 6.036 -11.779 -6.811 1.00 0.00 C ATOM 1189 O ASP A 73 5.908 -10.577 -7.039 1.00 0.00 O ATOM 1190 CB ASP A 73 7.351 -12.528 -4.852 1.00 0.00 C ATOM 1191 CG ASP A 73 7.838 -13.890 -4.351 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.430 -14.899 -4.966 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.606 -13.890 -3.365 1.00 0.00 O ATOM 0 H ASP A 73 8.147 -10.461 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 73 7.580 -13.310 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.962 -11.750 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.329 -12.375 -4.507 1.00 0.00 H new ATOM 1198 N GLU A 74 5.061 -12.671 -6.917 1.00 0.00 N ATOM 1199 CA GLU A 74 3.725 -12.274 -7.326 1.00 0.00 C ATOM 1200 C GLU A 74 2.769 -12.321 -6.133 1.00 0.00 C ATOM 1201 O GLU A 74 1.651 -11.813 -6.208 1.00 0.00 O ATOM 1202 CB GLU A 74 3.217 -13.154 -8.470 1.00 0.00 C ATOM 1203 CG GLU A 74 2.601 -14.448 -7.935 1.00 0.00 C ATOM 1204 CD GLU A 74 2.226 -15.391 -9.079 1.00 0.00 C ATOM 1205 OE1 GLU A 74 1.268 -15.049 -9.806 1.00 0.00 O ATOM 1206 OE2 GLU A 74 2.906 -16.433 -9.202 1.00 0.00 O ATOM 0 H GLU A 74 5.170 -13.667 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 74 3.768 -11.248 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.475 -12.607 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.040 -13.391 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.307 -14.943 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.714 -14.216 -7.345 1.00 0.00 H new ATOM 1213 N ASN A 75 3.243 -12.935 -5.059 1.00 0.00 N ATOM 1214 CA ASN A 75 2.444 -13.055 -3.851 1.00 0.00 C ATOM 1215 C ASN A 75 2.385 -11.698 -3.147 1.00 0.00 C ATOM 1216 O ASN A 75 1.540 -11.480 -2.280 1.00 0.00 O ATOM 1217 CB ASN A 75 3.061 -14.064 -2.880 1.00 0.00 C ATOM 1218 CG ASN A 75 4.582 -13.905 -2.818 1.00 0.00 C ATOM 1219 OD1 ASN A 75 5.111 -12.834 -2.570 1.00 0.00 O ATOM 1220 ND2 ASN A 75 5.253 -15.029 -3.056 1.00 0.00 N ATOM 0 H ASN A 75 4.171 -13.355 -5.000 1.00 0.00 H new ATOM 0 HA ASN A 75 1.448 -13.393 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.636 -13.924 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.810 -15.077 -3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.273 -15.028 -3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.748 -15.892 -3.257 1.00 0.00 H new ATOM 1227 N ILE A 76 3.293 -10.819 -3.547 1.00 0.00 N ATOM 1228 CA ILE A 76 3.354 -9.489 -2.965 1.00 0.00 C ATOM 1229 C ILE A 76 2.094 -8.710 -3.350 1.00 0.00 C ATOM 1230 O ILE A 76 1.743 -8.633 -4.527 1.00 0.00 O ATOM 1231 CB ILE A 76 4.655 -8.790 -3.364 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.837 -7.485 -2.585 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.717 -8.567 -4.876 1.00 0.00 C ATOM 1234 CD1 ILE A 76 6.159 -6.807 -2.952 1.00 0.00 C ATOM 0 H ILE A 76 3.992 -11.002 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 76 3.372 -9.549 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 76 5.488 -9.442 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.007 -6.811 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.814 -7.690 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.652 -8.069 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.666 -9.528 -5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.877 -7.945 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.263 -5.882 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.988 -7.474 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.168 -6.581 -4.018 1.00 0.00 H new ATOM 1246 N ARG A 77 1.449 -8.153 -2.337 1.00 0.00 N ATOM 1247 CA ARG A 77 0.236 -7.383 -2.554 1.00 0.00 C ATOM 1248 C ARG A 77 0.415 -5.953 -2.039 1.00 0.00 C ATOM 1249 O ARG A 77 0.491 -5.730 -0.832 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.959 -8.026 -1.848 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.981 -6.969 -1.425 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.395 -7.551 -1.403 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.402 -8.836 -0.668 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.330 -10.038 -1.256 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -3.244 -10.128 -2.590 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -3.343 -11.150 -0.509 1.00 0.00 N ATOM 0 H ARG A 77 1.743 -8.219 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 77 0.043 -7.365 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.432 -8.749 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.615 -8.576 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.726 -6.587 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.942 -6.125 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.079 -6.848 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.750 -7.704 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.466 -8.804 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.233 -9.281 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.189 -11.043 -3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.408 -11.081 0.507 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.288 -12.065 -0.956 1.00 0.00 H new ATOM 1270 N VAL A 78 0.478 -5.023 -2.980 1.00 0.00 N ATOM 1271 CA VAL A 78 0.647 -3.621 -2.636 1.00 0.00 C ATOM 1272 C VAL A 78 -0.187 -2.763 -3.589 1.00 0.00 C ATOM 1273 O VAL A 78 -0.487 -3.182 -4.706 1.00 0.00 O ATOM 1274 CB VAL A 78 2.133 -3.255 -2.647 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.589 -2.858 -4.052 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.431 -2.143 -1.639 1.00 0.00 C ATOM 0 H VAL A 78 0.415 -5.212 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 78 0.286 -3.429 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 78 2.698 -4.138 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.648 -2.603 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.429 -3.692 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.014 -1.996 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.494 -1.902 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.851 -1.256 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.161 -2.478 -0.637 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.538 -1.577 -3.113 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.332 -0.656 -3.908 1.00 0.00 C ATOM 1288 C ILE A 79 -0.526 0.620 -4.158 1.00 0.00 C ATOM 1289 O ILE A 79 0.221 1.067 -3.289 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.688 -0.407 -3.246 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.754 -1.352 -3.806 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.100 1.061 -3.374 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.156 -0.912 -3.379 1.00 0.00 C ATOM 0 H ILE A 79 -0.287 -1.233 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.555 -1.089 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.593 -0.623 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.691 -1.373 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.565 -2.367 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.068 1.210 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.354 1.692 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.172 1.328 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.894 -1.600 -3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.223 -0.916 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.351 0.094 -3.751 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.706 1.171 -5.350 1.00 0.00 N ATOM 1306 CA ILE A 80 -0.005 2.388 -5.725 1.00 0.00 C ATOM 1307 C ILE A 80 -0.964 3.576 -5.624 1.00 0.00 C ATOM 1308 O ILE A 80 -2.180 3.404 -5.698 1.00 0.00 O ATOM 1309 CB ILE A 80 0.639 2.232 -7.104 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.411 2.332 -8.213 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.442 0.932 -7.191 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.936 3.763 -8.343 1.00 0.00 C ATOM 0 H ILE A 80 -1.327 0.797 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 80 0.817 2.582 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 80 1.340 3.054 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.024 2.013 -9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.238 1.655 -7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.889 0.846 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.229 0.939 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.781 0.083 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.681 3.807 -9.138 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.392 4.070 -7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.110 4.433 -8.582 1.00 0.00 H new ATOM 1324 N MET A 81 -0.380 4.754 -5.458 1.00 0.00 N ATOM 1325 CA MET A 81 -1.168 5.970 -5.347 1.00 0.00 C ATOM 1326 C MET A 81 -0.518 7.117 -6.124 1.00 0.00 C ATOM 1327 O MET A 81 0.650 7.433 -5.908 1.00 0.00 O ATOM 1328 CB MET A 81 -1.299 6.360 -3.873 1.00 0.00 C ATOM 1329 CG MET A 81 -0.363 5.523 -2.999 1.00 0.00 C ATOM 1330 SD MET A 81 -0.098 6.338 -1.433 1.00 0.00 S ATOM 1331 CE MET A 81 1.197 5.309 -0.763 1.00 0.00 C ATOM 0 H MET A 81 0.629 4.892 -5.398 1.00 0.00 H new ATOM 0 HA MET A 81 -2.154 5.782 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.067 7.418 -3.751 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.329 6.220 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.792 4.534 -2.836 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.590 5.377 -3.508 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.229 5.424 0.320 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.998 4.266 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.155 5.607 -1.188 1.00 0.00 H new ATOM 1341 N THR A 82 -1.305 7.707 -7.011 1.00 0.00 N ATOM 1342 CA THR A 82 -0.821 8.812 -7.821 1.00 0.00 C ATOM 1343 C THR A 82 -1.975 9.450 -8.597 1.00 0.00 C ATOM 1344 O THR A 82 -2.885 8.755 -9.046 1.00 0.00 O ATOM 1345 CB THR A 82 0.298 8.284 -8.722 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.228 9.109 -9.882 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.011 6.876 -9.247 1.00 0.00 C ATOM 0 H THR A 82 -2.274 7.441 -7.187 1.00 0.00 H new ATOM 0 HA THR A 82 -0.410 9.607 -7.199 1.00 0.00 H new ATOM 0 HB THR A 82 1.238 8.281 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.917 9.804 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.835 6.549 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.096 6.189 -8.407 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.911 6.885 -9.828 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.899 10.766 -8.731 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.926 11.506 -9.445 1.00 0.00 C ATOM 1357 C ALA A 83 -3.064 10.942 -10.861 1.00 0.00 C ATOM 1358 O ALA A 83 -2.137 10.320 -11.378 1.00 0.00 O ATOM 1359 CB ALA A 83 -2.578 12.996 -9.443 1.00 0.00 C ATOM 0 H ALA A 83 -1.142 11.339 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.891 11.396 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.349 13.550 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.521 13.355 -8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.616 13.146 -9.934 1.00 0.00 H new ATOM 1365 N TYR A 84 -4.228 11.179 -11.447 1.00 0.00 N ATOM 1366 CA TYR A 84 -4.499 10.702 -12.793 1.00 0.00 C ATOM 1367 C TYR A 84 -3.722 11.516 -13.830 1.00 0.00 C ATOM 1368 O TYR A 84 -4.309 12.057 -14.766 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.998 10.908 -13.019 1.00 0.00 C ATOM 1370 CG TYR A 84 -6.487 12.323 -12.702 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -6.897 12.641 -11.424 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.517 13.281 -13.695 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -7.357 13.973 -11.126 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.977 14.613 -13.397 1.00 0.00 C ATOM 1375 CZ TYR A 84 -7.374 14.893 -12.127 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.809 16.151 -11.846 1.00 0.00 O ATOM 0 H TYR A 84 -4.994 11.695 -11.015 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.200 9.659 -12.899 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.233 10.678 -14.058 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.549 10.198 -12.402 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.873 11.891 -10.647 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.196 13.032 -14.696 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.681 14.235 -10.130 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.006 15.372 -14.165 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.765 16.701 -12.656 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.414 11.577 -13.628 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.551 12.316 -14.534 1.00 0.00 C ATOM 1388 C GLY A 85 -0.522 11.391 -15.187 1.00 0.00 C ATOM 1389 O GLY A 85 -0.290 11.468 -16.392 1.00 0.00 O ATOM 0 H GLY A 85 -1.931 11.127 -12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.153 12.797 -15.304 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.039 13.109 -13.989 1.00 0.00 H new ATOM 1393 N GLU A 86 0.068 10.539 -14.362 1.00 0.00 N ATOM 1394 CA GLU A 86 1.067 9.600 -14.844 1.00 0.00 C ATOM 1395 C GLU A 86 0.436 8.226 -15.075 1.00 0.00 C ATOM 1396 O GLU A 86 0.980 7.209 -14.647 1.00 0.00 O ATOM 1397 CB GLU A 86 2.245 9.507 -13.872 1.00 0.00 C ATOM 1398 CG GLU A 86 1.757 9.422 -12.425 1.00 0.00 C ATOM 1399 CD GLU A 86 2.763 8.671 -11.550 1.00 0.00 C ATOM 1400 OE1 GLU A 86 3.956 9.037 -11.615 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.315 7.748 -10.836 1.00 0.00 O ATOM 0 H GLU A 86 -0.126 10.479 -13.363 1.00 0.00 H new ATOM 0 HA GLU A 86 1.452 9.965 -15.796 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.848 8.630 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.889 10.378 -13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.604 10.426 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.792 8.916 -12.392 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.703 8.239 -15.751 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.414 7.006 -16.045 1.00 0.00 C ATOM 1410 C LEU A 87 -0.430 5.975 -16.602 1.00 0.00 C ATOM 1411 O LEU A 87 -0.519 4.791 -16.281 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.605 7.280 -16.965 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.647 8.268 -16.438 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.250 9.090 -17.579 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.721 7.548 -15.620 1.00 0.00 C ATOM 0 H LEU A 87 -1.152 9.084 -16.104 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.836 6.583 -15.133 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.226 7.655 -17.915 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.104 6.333 -17.173 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.147 8.967 -15.768 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.988 9.784 -17.177 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.461 9.650 -18.081 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.732 8.422 -18.293 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.449 8.273 -15.257 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.224 6.812 -16.247 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.256 7.045 -14.772 1.00 0.00 H new ATOM 1427 N ASP A 88 0.485 6.463 -17.426 1.00 0.00 N ATOM 1428 CA ASP A 88 1.485 5.599 -18.031 1.00 0.00 C ATOM 1429 C ASP A 88 2.055 4.663 -16.964 1.00 0.00 C ATOM 1430 O ASP A 88 2.160 3.457 -17.183 1.00 0.00 O ATOM 1431 CB ASP A 88 2.641 6.416 -18.610 1.00 0.00 C ATOM 1432 CG ASP A 88 2.908 6.194 -20.100 1.00 0.00 C ATOM 1433 OD1 ASP A 88 2.009 6.542 -20.896 1.00 0.00 O ATOM 1434 OD2 ASP A 88 4.004 5.679 -20.410 1.00 0.00 O ATOM 0 H ASP A 88 0.555 7.446 -17.689 1.00 0.00 H new ATOM 0 HA ASP A 88 1.005 5.036 -18.832 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.436 7.474 -18.447 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.548 6.178 -18.054 1.00 0.00 H new ATOM 1439 N MET A 89 2.410 5.253 -15.832 1.00 0.00 N ATOM 1440 CA MET A 89 2.967 4.486 -14.731 1.00 0.00 C ATOM 1441 C MET A 89 1.920 3.544 -14.133 1.00 0.00 C ATOM 1442 O MET A 89 2.137 2.336 -14.057 1.00 0.00 O ATOM 1443 CB MET A 89 3.472 5.442 -13.647 1.00 0.00 C ATOM 1444 CG MET A 89 4.260 4.687 -12.575 1.00 0.00 C ATOM 1445 SD MET A 89 4.285 5.629 -11.059 1.00 0.00 S ATOM 1446 CE MET A 89 5.836 5.072 -10.373 1.00 0.00 C ATOM 0 H MET A 89 2.323 6.253 -15.654 1.00 0.00 H new ATOM 0 HA MET A 89 3.793 3.885 -15.113 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.105 6.207 -14.097 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.627 5.956 -13.188 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.807 3.711 -12.399 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.279 4.509 -12.919 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.755 5.017 -9.287 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.076 4.085 -10.769 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.626 5.773 -10.643 1.00 0.00 H new ATOM 1456 N ILE A 90 0.806 4.133 -13.723 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.276 3.362 -13.135 1.00 0.00 C ATOM 1458 C ILE A 90 -0.514 2.104 -13.973 1.00 0.00 C ATOM 1459 O ILE A 90 -0.624 1.005 -13.431 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.523 4.231 -12.963 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -1.286 5.332 -11.927 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.745 3.376 -12.622 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.546 6.715 -12.527 1.00 0.00 C ATOM 0 H ILE A 90 0.630 5.136 -13.787 1.00 0.00 H new ATOM 0 HA ILE A 90 -0.006 3.032 -12.132 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.730 4.723 -13.913 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.939 5.175 -11.069 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.261 5.277 -11.561 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.618 4.019 -12.505 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.925 2.662 -13.426 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.564 2.837 -11.692 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.370 7.479 -11.770 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.874 6.878 -13.370 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.579 6.775 -12.870 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.586 2.307 -15.280 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.809 1.203 -16.198 1.00 0.00 C ATOM 1477 C GLN A 91 0.223 0.099 -15.961 1.00 0.00 C ATOM 1478 O GLN A 91 -0.137 -1.047 -15.698 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.776 1.682 -17.650 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.182 2.027 -18.146 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.612 1.085 -19.273 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.919 -0.076 -19.063 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -2.616 1.650 -20.477 1.00 0.00 N ATOM 0 H GLN A 91 -0.494 3.220 -15.725 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.801 0.793 -16.008 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.132 2.558 -17.733 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.343 0.907 -18.283 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.890 1.959 -17.320 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.204 3.058 -18.500 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.347 2.628 -20.582 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.888 1.105 -21.295 1.00 0.00 H new ATOM 1492 N GLU A 92 1.487 0.483 -16.062 1.00 0.00 N ATOM 1493 CA GLU A 92 2.575 -0.459 -15.862 1.00 0.00 C ATOM 1494 C GLU A 92 2.472 -1.102 -14.477 1.00 0.00 C ATOM 1495 O GLU A 92 2.935 -2.224 -14.273 1.00 0.00 O ATOM 1496 CB GLU A 92 3.932 0.221 -16.051 1.00 0.00 C ATOM 1497 CG GLU A 92 4.573 -0.193 -17.377 1.00 0.00 C ATOM 1498 CD GLU A 92 3.965 0.585 -18.546 1.00 0.00 C ATOM 1499 OE1 GLU A 92 4.140 1.823 -18.555 1.00 0.00 O ATOM 1500 OE2 GLU A 92 3.340 -0.076 -19.404 1.00 0.00 O ATOM 0 H GLU A 92 1.782 1.435 -16.280 1.00 0.00 H new ATOM 0 HA GLU A 92 2.492 -1.244 -16.613 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.807 1.304 -16.026 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.593 -0.043 -15.225 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.648 -0.015 -17.337 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.433 -1.262 -17.535 1.00 0.00 H new ATOM 1507 N SER A 93 1.862 -0.364 -13.561 1.00 0.00 N ATOM 1508 CA SER A 93 1.693 -0.849 -12.202 1.00 0.00 C ATOM 1509 C SER A 93 0.695 -2.008 -12.180 1.00 0.00 C ATOM 1510 O SER A 93 0.978 -3.065 -11.617 1.00 0.00 O ATOM 1511 CB SER A 93 1.224 0.273 -11.272 1.00 0.00 C ATOM 1512 OG SER A 93 -0.175 0.199 -11.010 1.00 0.00 O ATOM 0 H SER A 93 1.479 0.566 -13.733 1.00 0.00 H new ATOM 0 HA SER A 93 2.659 -1.203 -11.842 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.772 0.218 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.458 1.238 -11.721 1.00 0.00 H new ATOM 0 HG SER A 93 -0.671 0.530 -11.787 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.452 -1.772 -12.799 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.493 -2.784 -12.858 1.00 0.00 C ATOM 1520 C LYS A 94 -0.916 -4.069 -13.454 1.00 0.00 C ATOM 1521 O LYS A 94 -1.158 -5.160 -12.939 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.715 -2.252 -13.609 1.00 0.00 C ATOM 1523 CG LYS A 94 -3.970 -2.324 -12.736 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.212 -2.607 -13.583 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.487 -2.221 -12.832 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.624 -3.058 -13.275 1.00 0.00 N ATOM 0 H LYS A 94 -0.684 -0.894 -13.264 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.845 -3.028 -11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.538 -1.220 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.867 -2.832 -14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.851 -3.106 -11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.098 -1.384 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.154 -2.050 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.245 -3.665 -13.844 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.335 -2.342 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.713 -1.169 -13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.481 -2.782 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.779 -2.922 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.412 -4.059 -13.088 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.164 -3.899 -14.532 1.00 0.00 N ATOM 1541 CA GLU A 95 0.450 -5.032 -15.203 1.00 0.00 C ATOM 1542 C GLU A 95 1.570 -5.616 -14.341 1.00 0.00 C ATOM 1543 O GLU A 95 1.949 -6.774 -14.511 1.00 0.00 O ATOM 1544 CB GLU A 95 0.972 -4.633 -16.585 1.00 0.00 C ATOM 1545 CG GLU A 95 2.482 -4.388 -16.551 1.00 0.00 C ATOM 1546 CD GLU A 95 3.254 -5.688 -16.787 1.00 0.00 C ATOM 1547 OE1 GLU A 95 2.585 -6.742 -16.844 1.00 0.00 O ATOM 1548 OE2 GLU A 95 4.495 -5.597 -16.904 1.00 0.00 O ATOM 0 H GLU A 95 0.034 -2.993 -14.957 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.310 -5.801 -15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.744 -5.419 -17.305 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.461 -3.732 -16.924 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.753 -3.657 -17.313 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.764 -3.963 -15.587 1.00 0.00 H new ATOM 1555 N LEU A 96 2.070 -4.789 -13.436 1.00 0.00 N ATOM 1556 CA LEU A 96 3.140 -5.209 -12.547 1.00 0.00 C ATOM 1557 C LEU A 96 2.603 -6.257 -11.570 1.00 0.00 C ATOM 1558 O LEU A 96 3.375 -6.994 -10.959 1.00 0.00 O ATOM 1559 CB LEU A 96 3.775 -3.997 -11.862 1.00 0.00 C ATOM 1560 CG LEU A 96 5.221 -3.687 -12.252 1.00 0.00 C ATOM 1561 CD1 LEU A 96 5.299 -3.137 -13.677 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.873 -2.745 -11.238 1.00 0.00 C ATOM 0 H LEU A 96 1.754 -3.829 -13.299 1.00 0.00 H new ATOM 0 HA LEU A 96 3.942 -5.682 -13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.165 -3.120 -12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.736 -4.152 -10.784 1.00 0.00 H new ATOM 0 HG LEU A 96 5.786 -4.619 -12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.338 -2.925 -13.929 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.900 -3.874 -14.374 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.715 -2.219 -13.745 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.900 -2.541 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.314 -1.810 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.870 -3.212 -10.253 1.00 0.00 H new ATOM 1574 N GLY A 97 1.284 -6.290 -11.453 1.00 0.00 N ATOM 1575 CA GLY A 97 0.635 -7.235 -10.560 1.00 0.00 C ATOM 1576 C GLY A 97 0.062 -6.525 -9.332 1.00 0.00 C ATOM 1577 O GLY A 97 -0.239 -7.164 -8.325 1.00 0.00 O ATOM 0 H GLY A 97 0.647 -5.677 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.164 -7.752 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.351 -7.993 -10.245 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.071 -5.212 -9.456 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.603 -4.409 -8.368 1.00 0.00 C ATOM 1583 C ALA A 98 -2.099 -4.689 -8.217 1.00 0.00 C ATOM 1584 O ALA A 98 -2.770 -5.037 -9.187 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.310 -2.931 -8.635 1.00 0.00 C ATOM 0 H ALA A 98 0.180 -4.685 -10.292 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.122 -4.672 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.709 -2.328 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.767 -2.780 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.780 -2.630 -9.572 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.578 -4.526 -6.992 1.00 0.00 N ATOM 1592 CA LEU A 99 -3.983 -4.757 -6.701 1.00 0.00 C ATOM 1593 C LEU A 99 -4.835 -3.778 -7.512 1.00 0.00 C ATOM 1594 O LEU A 99 -5.808 -4.177 -8.150 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.236 -4.690 -5.194 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.618 -5.813 -4.359 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -4.282 -7.156 -4.670 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.101 -5.866 -4.550 1.00 0.00 C ATOM 0 H LEU A 99 -2.018 -4.237 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.275 -5.762 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.856 -3.738 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.313 -4.690 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.803 -5.598 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.824 -7.937 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.346 -7.097 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.149 -7.392 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.686 -6.673 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.873 -6.045 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.662 -4.918 -4.240 1.00 0.00 H new ATOM 1610 N THR A 100 -4.439 -2.514 -7.460 1.00 0.00 N ATOM 1611 CA THR A 100 -5.154 -1.475 -8.181 1.00 0.00 C ATOM 1612 C THR A 100 -4.330 -0.186 -8.214 1.00 0.00 C ATOM 1613 O THR A 100 -3.131 -0.204 -7.942 1.00 0.00 O ATOM 1614 CB THR A 100 -6.526 -1.304 -7.526 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.175 -0.325 -8.333 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.438 -0.651 -6.145 1.00 0.00 C ATOM 0 H THR A 100 -3.632 -2.186 -6.929 1.00 0.00 H new ATOM 0 HA THR A 100 -5.309 -1.751 -9.224 1.00 0.00 H new ATOM 0 HB THR A 100 -7.010 -2.276 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.073 -0.154 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.439 -0.553 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.827 -1.270 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.985 0.336 -6.237 1.00 0.00 H new ATOM 1624 N HIS A 101 -5.008 0.902 -8.550 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.354 2.198 -8.622 1.00 0.00 C ATOM 1626 C HIS A 101 -5.329 3.290 -8.179 1.00 0.00 C ATOM 1627 O HIS A 101 -6.399 3.447 -8.765 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.786 2.442 -10.021 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.713 2.033 -11.141 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -4.394 1.043 -12.054 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.951 2.489 -11.484 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -5.402 0.918 -12.904 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -6.366 1.816 -12.550 1.00 0.00 N ATOM 0 H HIS A 101 -6.003 0.913 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.505 2.220 -7.939 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.551 3.501 -10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.848 1.895 -10.122 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.501 3.266 -10.975 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -5.452 0.226 -13.732 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.258 1.948 -13.026 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.925 4.017 -7.148 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.750 5.090 -6.619 1.00 0.00 C ATOM 1643 C PHE A 102 -5.189 6.458 -7.013 1.00 0.00 C ATOM 1644 O PHE A 102 -4.001 6.585 -7.305 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.728 4.962 -5.095 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.320 3.653 -4.571 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.382 3.086 -5.203 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.784 3.055 -3.473 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.931 1.870 -4.717 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.333 1.839 -2.987 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.395 1.272 -3.619 1.00 0.00 C ATOM 0 H PHE A 102 -4.037 3.884 -6.664 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.761 5.013 -7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.698 5.047 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.280 5.797 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.808 3.561 -6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.941 3.505 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.774 1.420 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.907 1.364 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.813 0.347 -3.249 1.00 0.00 H new ATOM 1661 N ALA A 103 -6.071 7.447 -7.009 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.678 8.801 -7.362 1.00 0.00 C ATOM 1663 C ALA A 103 -5.596 9.651 -6.093 1.00 0.00 C ATOM 1664 O ALA A 103 -6.374 9.457 -5.160 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.667 9.369 -8.382 1.00 0.00 C ATOM 0 H ALA A 103 -7.056 7.338 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.692 8.806 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.373 10.385 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.666 8.746 -9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.668 9.382 -7.950 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.646 10.574 -6.098 1.00 0.00 N ATOM 1672 CA LYS A 104 -4.452 11.455 -4.959 1.00 0.00 C ATOM 1673 C LYS A 104 -5.792 11.674 -4.255 1.00 0.00 C ATOM 1674 O LYS A 104 -5.933 11.371 -3.072 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.766 12.752 -5.395 1.00 0.00 C ATOM 1676 CG LYS A 104 -2.355 12.848 -4.812 1.00 0.00 C ATOM 1677 CD LYS A 104 -1.753 14.233 -5.060 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.325 14.122 -5.599 1.00 0.00 C ATOM 1679 NZ LYS A 104 -0.120 15.063 -6.722 1.00 0.00 N ATOM 0 H LYS A 104 -4.002 10.731 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.781 10.996 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.717 12.794 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.357 13.608 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.386 12.647 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.719 12.085 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.372 14.781 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.752 14.804 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.388 14.336 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.134 13.102 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.854 14.975 -7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.788 14.841 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.282 16.036 -6.393 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.768 12.214 -5.033 1.00 0.00 N ATOM 1694 CA PRO A 105 -8.093 12.477 -4.497 1.00 0.00 C ATOM 1695 C PRO A 105 -8.888 11.180 -4.338 1.00 0.00 C ATOM 1696 O PRO A 105 -9.533 10.724 -5.281 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.729 13.448 -5.479 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.923 13.331 -6.762 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.638 12.586 -6.439 1.00 0.00 C ATOM 0 HA PRO A 105 -8.064 12.906 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.776 13.199 -5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.703 14.467 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.492 12.798 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.700 14.319 -7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.521 11.706 -7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.763 13.216 -6.603 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.817 10.622 -3.139 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.522 9.387 -2.844 1.00 0.00 C ATOM 1709 C PHE A 106 -10.376 9.530 -1.583 1.00 0.00 C ATOM 1710 O PHE A 106 -10.082 10.356 -0.721 1.00 0.00 O ATOM 1711 CB PHE A 106 -8.460 8.311 -2.608 1.00 0.00 C ATOM 1712 CG PHE A 106 -7.117 8.859 -2.122 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -7.065 9.654 -1.020 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -5.974 8.551 -2.792 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -5.819 10.162 -0.569 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -4.728 9.060 -2.342 1.00 0.00 C ATOM 1717 CZ PHE A 106 -4.676 9.855 -1.239 1.00 0.00 C ATOM 0 H PHE A 106 -8.281 11.003 -2.359 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.184 9.130 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.837 7.598 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.302 7.761 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.972 9.899 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.015 7.919 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.778 10.793 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.821 8.816 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.728 10.242 -0.896 1.00 0.00 H new ATOM 1727 N ASP A 107 -11.416 8.712 -1.515 1.00 0.00 N ATOM 1728 CA ASP A 107 -12.315 8.737 -0.374 1.00 0.00 C ATOM 1729 C ASP A 107 -12.195 7.419 0.393 1.00 0.00 C ATOM 1730 O ASP A 107 -12.044 6.357 -0.209 1.00 0.00 O ATOM 1731 CB ASP A 107 -13.770 8.893 -0.821 1.00 0.00 C ATOM 1732 CG ASP A 107 -14.571 9.950 -0.060 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -13.947 10.957 0.338 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -15.790 9.727 0.108 1.00 0.00 O ATOM 0 H ASP A 107 -11.656 8.027 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.038 9.584 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.783 9.143 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -14.272 7.932 -0.714 1.00 0.00 H new ATOM 1739 N ILE A 108 -12.266 7.530 1.712 1.00 0.00 N ATOM 1740 CA ILE A 108 -12.167 6.360 2.568 1.00 0.00 C ATOM 1741 C ILE A 108 -13.397 5.474 2.358 1.00 0.00 C ATOM 1742 O ILE A 108 -13.299 4.249 2.403 1.00 0.00 O ATOM 1743 CB ILE A 108 -11.951 6.777 4.023 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -10.619 6.243 4.555 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -13.131 6.349 4.898 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -10.534 4.724 4.393 1.00 0.00 C ATOM 0 H ILE A 108 -12.391 8.412 2.208 1.00 0.00 H new ATOM 0 HA ILE A 108 -11.295 5.764 2.299 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.900 7.865 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.794 6.716 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.511 6.507 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.951 6.658 5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.044 6.819 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.239 5.265 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.578 4.370 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.346 4.253 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.618 4.465 3.337 1.00 0.00 H new ATOM 1758 N ASP A 109 -14.527 6.129 2.134 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.774 5.417 1.918 1.00 0.00 C ATOM 1760 C ASP A 109 -15.640 4.526 0.681 1.00 0.00 C ATOM 1761 O ASP A 109 -16.109 3.389 0.677 1.00 0.00 O ATOM 1762 CB ASP A 109 -16.930 6.391 1.675 1.00 0.00 C ATOM 1763 CG ASP A 109 -17.908 6.536 2.842 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -18.122 5.516 3.534 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -18.420 7.662 3.017 1.00 0.00 O ATOM 0 H ASP A 109 -14.604 7.145 2.098 1.00 0.00 H new ATOM 0 HA ASP A 109 -15.982 4.824 2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -16.516 7.372 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -17.483 6.063 0.795 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.998 5.077 -0.339 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.796 4.346 -1.579 1.00 0.00 C ATOM 1772 C GLU A 110 -13.665 3.328 -1.417 1.00 0.00 C ATOM 1773 O GLU A 110 -13.635 2.313 -2.111 1.00 0.00 O ATOM 1774 CB GLU A 110 -14.512 5.302 -2.738 1.00 0.00 C ATOM 1775 CG GLU A 110 -13.130 5.943 -2.595 1.00 0.00 C ATOM 1776 CD GLU A 110 -12.535 6.277 -3.964 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -12.206 5.314 -4.690 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -12.423 7.488 -4.254 1.00 0.00 O ATOM 0 H GLU A 110 -14.611 6.021 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.713 3.806 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -14.570 4.761 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -15.276 6.079 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -13.207 6.851 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.464 5.265 -2.061 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.763 3.635 -0.496 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.633 2.760 -0.235 1.00 0.00 C ATOM 1787 C ILE A 111 -12.085 1.605 0.662 1.00 0.00 C ATOM 1788 O ILE A 111 -11.457 0.548 0.682 1.00 0.00 O ATOM 1789 CB ILE A 111 -10.458 3.558 0.335 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.650 4.217 -0.784 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.585 2.680 1.234 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.522 5.078 -0.211 1.00 0.00 C ATOM 0 H ILE A 111 -12.792 4.477 0.078 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.269 2.320 -1.163 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.857 4.359 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.232 3.450 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -10.307 4.833 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.757 3.271 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.183 2.299 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.192 1.844 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.963 5.535 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.945 5.859 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.853 4.454 0.382 1.00 0.00 H new ATOM 1804 N ARG A 112 -13.171 1.847 1.382 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.714 0.841 2.278 1.00 0.00 C ATOM 1806 C ARG A 112 -14.262 -0.343 1.478 1.00 0.00 C ATOM 1807 O ARG A 112 -14.339 -1.459 1.988 1.00 0.00 O ATOM 1808 CB ARG A 112 -14.832 1.422 3.146 1.00 0.00 C ATOM 1809 CG ARG A 112 -14.292 2.503 4.085 1.00 0.00 C ATOM 1810 CD ARG A 112 -14.538 2.131 5.548 1.00 0.00 C ATOM 1811 NE ARG A 112 -13.657 1.008 5.940 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.908 0.178 6.961 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -15.015 0.338 7.699 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -13.052 -0.814 7.244 1.00 0.00 N ATOM 0 H ARG A 112 -13.689 2.725 1.363 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.905 0.503 2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.610 1.844 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.295 0.626 3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.224 2.637 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.772 3.456 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.349 2.993 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.582 1.852 5.690 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.806 0.857 5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.667 1.092 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.206 -0.294 8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.210 -0.937 6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.243 -1.446 8.021 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.628 -0.058 0.237 1.00 0.00 N ATOM 1829 CA ASP A 113 -15.166 -1.085 -0.639 1.00 0.00 C ATOM 1830 C ASP A 113 -14.013 -1.819 -1.327 1.00 0.00 C ATOM 1831 O ASP A 113 -14.016 -3.046 -1.412 1.00 0.00 O ATOM 1832 CB ASP A 113 -16.052 -0.473 -1.726 1.00 0.00 C ATOM 1833 CG ASP A 113 -17.485 -1.006 -1.768 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.874 -1.668 -0.781 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -18.161 -0.739 -2.785 1.00 0.00 O ATOM 0 H ASP A 113 -14.563 0.869 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.760 -1.768 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -16.086 0.607 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.586 -0.650 -2.695 1.00 0.00 H new ATOM 1840 N ALA A 114 -13.054 -1.036 -1.800 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.897 -1.596 -2.477 1.00 0.00 C ATOM 1842 C ALA A 114 -11.007 -2.305 -1.455 1.00 0.00 C ATOM 1843 O ALA A 114 -10.210 -3.171 -1.815 1.00 0.00 O ATOM 1844 CB ALA A 114 -11.155 -0.485 -3.224 1.00 0.00 C ATOM 0 H ALA A 114 -13.055 -0.019 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.206 -2.336 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.287 -0.905 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.821 -0.032 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.828 0.275 -2.514 1.00 0.00 H new ATOM 1850 N VAL A 115 -11.172 -1.913 -0.200 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.394 -2.501 0.877 1.00 0.00 C ATOM 1852 C VAL A 115 -10.876 -3.931 1.127 1.00 0.00 C ATOM 1853 O VAL A 115 -10.111 -4.776 1.589 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.473 -1.617 2.123 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -10.253 -2.440 3.394 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.475 -0.460 2.039 1.00 0.00 C ATOM 0 H VAL A 115 -11.834 -1.195 0.095 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.341 -2.557 0.601 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.476 -1.192 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.314 -1.788 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.019 -3.212 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.269 -2.907 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.552 0.153 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.463 -0.857 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.698 0.150 1.164 1.00 0.00 H new