USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 157:sc= -0.165 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.389 (180deg=-0.477) USER MOD Single : A 2 GLN : amide:sc= -0.793 X(o=-0.79,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -169:sc= -0.274 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -116:sc= 0.548 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 25 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.95!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -1.1 (180deg=-1.12) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.0972 (180deg=0.0738) USER MOD Single : A 31 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -3.76! C(o=-3.8!,f=-3.3!) USER MOD Single : A 41 GLN : amide:sc= -4.75! C(o=-4.7!,f=-7.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= -1.16 USER MOD Single : A 60 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.1!) USER MOD Single : A 62 GLN : amide:sc= -0.0098 X(o=-0.0098,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 9:sc= -3.8! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.756 -5.570 4.685 1.00 0.00 N ATOM 2 CA MET A 1 -12.794 -4.899 5.973 1.00 0.00 C ATOM 3 C MET A 1 -12.001 -3.591 5.933 1.00 0.00 C ATOM 4 O MET A 1 -11.606 -3.133 4.862 1.00 0.00 O ATOM 5 CB MET A 1 -12.206 -5.819 7.046 1.00 0.00 C ATOM 6 CG MET A 1 -10.725 -6.093 6.783 1.00 0.00 C ATOM 7 SD MET A 1 -10.139 -7.379 7.872 1.00 0.00 S ATOM 8 CE MET A 1 -11.008 -8.782 7.192 1.00 0.00 C ATOM 0 H1 MET A 1 -13.272 -6.471 4.747 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.201 -4.965 3.965 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.768 -5.755 4.419 1.00 0.00 H new ATOM 0 HA MET A 1 -13.832 -4.666 6.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.326 -5.361 8.028 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.756 -6.760 7.064 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.581 -6.391 5.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.145 -5.183 6.937 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.481 -9.699 7.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.019 -8.816 7.598 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.056 -8.689 6.107 1.00 0.00 H new ATOM 18 N GLN A 2 -11.792 -3.026 7.114 1.00 0.00 N ATOM 19 CA GLN A 2 -11.054 -1.780 7.226 1.00 0.00 C ATOM 20 C GLN A 2 -9.568 -2.062 7.455 1.00 0.00 C ATOM 21 O GLN A 2 -9.212 -3.047 8.100 1.00 0.00 O ATOM 22 CB GLN A 2 -11.625 -0.904 8.344 1.00 0.00 C ATOM 23 CG GLN A 2 -10.813 0.384 8.499 1.00 0.00 C ATOM 24 CD GLN A 2 -11.509 1.358 9.452 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.160 2.306 9.045 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.335 1.073 10.739 1.00 0.00 N ATOM 0 H GLN A 2 -12.121 -3.408 8.001 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.159 -1.232 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.664 -0.659 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.620 -1.457 9.283 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.818 0.148 8.877 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.681 0.855 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.778 0.263 11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.759 1.664 11.454 1.00 0.00 H new ATOM 35 N ILE A 3 -8.741 -1.180 6.913 1.00 0.00 N ATOM 36 CA ILE A 3 -7.301 -1.322 7.050 1.00 0.00 C ATOM 37 C ILE A 3 -6.685 0.046 7.353 1.00 0.00 C ATOM 38 O ILE A 3 -7.303 1.079 7.103 1.00 0.00 O ATOM 39 CB ILE A 3 -6.710 -2.002 5.814 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.891 -1.132 4.569 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.297 -3.402 5.624 1.00 0.00 C ATOM 42 CD1 ILE A 3 -8.326 -1.219 4.042 1.00 0.00 C ATOM 0 H ILE A 3 -9.040 -0.365 6.378 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.060 -1.974 7.890 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.638 -2.121 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.649 -0.096 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.195 -1.452 3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.860 -3.863 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.073 -4.012 6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.377 -3.330 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.427 -0.591 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.556 -2.252 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.018 -0.876 4.811 1.00 0.00 H new ATOM 54 N PHE A 4 -5.473 0.007 7.889 1.00 0.00 N ATOM 55 CA PHE A 4 -4.766 1.230 8.228 1.00 0.00 C ATOM 56 C PHE A 4 -3.436 1.322 7.478 1.00 0.00 C ATOM 57 O PHE A 4 -2.500 0.582 7.775 1.00 0.00 O ATOM 58 CB PHE A 4 -4.487 1.182 9.732 1.00 0.00 C ATOM 59 CG PHE A 4 -5.721 1.431 10.602 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.818 0.640 10.469 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.719 2.444 11.510 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.963 0.870 11.276 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.864 2.675 12.317 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.962 1.884 12.183 1.00 0.00 C ATOM 0 H PHE A 4 -4.964 -0.852 8.096 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.368 2.096 7.952 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.069 0.207 9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.728 1.926 9.974 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.819 -0.165 9.749 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.847 3.072 11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.834 0.241 11.170 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.863 3.479 13.038 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.833 2.061 12.796 1.00 0.00 H new ATOM 74 N VAL A 5 -3.397 2.236 6.519 1.00 0.00 N ATOM 75 CA VAL A 5 -2.197 2.433 5.723 1.00 0.00 C ATOM 76 C VAL A 5 -1.404 3.613 6.289 1.00 0.00 C ATOM 77 O VAL A 5 -1.985 4.562 6.815 1.00 0.00 O ATOM 78 CB VAL A 5 -2.570 2.615 4.251 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.885 4.079 3.941 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.463 2.087 3.336 1.00 0.00 C ATOM 0 H VAL A 5 -4.176 2.848 6.276 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.555 1.554 5.775 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.471 2.032 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.147 4.180 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.722 4.409 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.011 4.693 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.753 2.228 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.539 2.631 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.307 1.025 3.528 1.00 0.00 H new ATOM 90 N LYS A 6 -0.089 3.516 6.161 1.00 0.00 N ATOM 91 CA LYS A 6 0.790 4.564 6.653 1.00 0.00 C ATOM 92 C LYS A 6 1.387 5.322 5.466 1.00 0.00 C ATOM 93 O LYS A 6 1.453 4.793 4.357 1.00 0.00 O ATOM 94 CB LYS A 6 1.840 3.981 7.602 1.00 0.00 C ATOM 95 CG LYS A 6 1.629 4.488 9.030 1.00 0.00 C ATOM 96 CD LYS A 6 2.486 3.700 10.024 1.00 0.00 C ATOM 97 CE LYS A 6 3.889 4.299 10.133 1.00 0.00 C ATOM 98 NZ LYS A 6 4.654 3.634 11.210 1.00 0.00 N ATOM 0 H LYS A 6 0.389 2.728 5.724 1.00 0.00 H new ATOM 0 HA LYS A 6 0.227 5.287 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.785 2.892 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.838 4.255 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.883 5.547 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.577 4.398 9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.008 3.703 11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.555 2.660 9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.413 4.187 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.820 5.368 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.604 4.053 11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.161 3.763 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.736 2.618 11.001 1.00 0.00 H new ATOM 112 N THR A 7 1.808 6.548 5.738 1.00 0.00 N ATOM 113 CA THR A 7 2.398 7.384 4.707 1.00 0.00 C ATOM 114 C THR A 7 3.923 7.362 4.810 1.00 0.00 C ATOM 115 O THR A 7 4.475 6.914 5.815 1.00 0.00 O ATOM 116 CB THR A 7 1.800 8.787 4.835 1.00 0.00 C ATOM 117 OG1 THR A 7 0.412 8.553 5.054 1.00 0.00 O ATOM 118 CG2 THR A 7 1.843 9.564 3.518 1.00 0.00 C ATOM 0 H THR A 7 1.752 6.983 6.659 1.00 0.00 H new ATOM 0 HA THR A 7 2.166 7.006 3.711 1.00 0.00 H new ATOM 0 HB THR A 7 2.339 9.343 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.079 9.398 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.407 10.552 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.877 9.669 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.275 9.025 2.759 1.00 0.00 H new ATOM 126 N LEU A 8 4.564 7.852 3.758 1.00 0.00 N ATOM 127 CA LEU A 8 6.016 7.895 3.718 1.00 0.00 C ATOM 128 C LEU A 8 6.523 8.848 4.803 1.00 0.00 C ATOM 129 O LEU A 8 7.720 8.892 5.084 1.00 0.00 O ATOM 130 CB LEU A 8 6.503 8.248 2.312 1.00 0.00 C ATOM 131 CG LEU A 8 7.928 7.811 1.966 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.920 6.529 1.133 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.695 8.940 1.274 1.00 0.00 C ATOM 0 H LEU A 8 4.104 8.223 2.927 1.00 0.00 H new ATOM 0 HA LEU A 8 6.433 6.912 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.821 7.799 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.435 9.329 2.186 1.00 0.00 H new ATOM 0 HG LEU A 8 8.453 7.588 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.945 6.240 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.437 5.731 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.372 6.701 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.705 8.603 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.182 9.218 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.746 9.804 1.936 1.00 0.00 H new ATOM 145 N THR A 9 5.588 9.587 5.382 1.00 0.00 N ATOM 146 CA THR A 9 5.926 10.535 6.428 1.00 0.00 C ATOM 147 C THR A 9 5.621 9.942 7.805 1.00 0.00 C ATOM 148 O THR A 9 6.184 10.374 8.810 1.00 0.00 O ATOM 149 CB THR A 9 5.173 11.838 6.148 1.00 0.00 C ATOM 150 OG1 THR A 9 5.719 12.764 7.083 1.00 0.00 O ATOM 151 CG2 THR A 9 3.693 11.752 6.529 1.00 0.00 C ATOM 0 H THR A 9 4.596 9.548 5.146 1.00 0.00 H new ATOM 0 HA THR A 9 6.994 10.754 6.432 1.00 0.00 H new ATOM 0 HB THR A 9 5.262 12.088 5.091 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.287 13.636 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.205 12.702 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.215 10.958 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.603 11.535 7.593 1.00 0.00 H new ATOM 159 N GLY A 10 4.732 8.960 7.807 1.00 0.00 N ATOM 160 CA GLY A 10 4.345 8.303 9.044 1.00 0.00 C ATOM 161 C GLY A 10 2.896 8.630 9.409 1.00 0.00 C ATOM 162 O GLY A 10 2.451 8.342 10.519 1.00 0.00 O ATOM 0 H GLY A 10 4.268 8.603 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.463 7.224 8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.007 8.619 9.850 1.00 0.00 H new ATOM 166 N LYS A 11 2.199 9.226 8.453 1.00 0.00 N ATOM 167 CA LYS A 11 0.809 9.596 8.660 1.00 0.00 C ATOM 168 C LYS A 11 -0.060 8.336 8.626 1.00 0.00 C ATOM 169 O LYS A 11 0.251 7.383 7.912 1.00 0.00 O ATOM 170 CB LYS A 11 0.382 10.664 7.651 1.00 0.00 C ATOM 171 CG LYS A 11 0.861 12.050 8.086 1.00 0.00 C ATOM 172 CD LYS A 11 0.412 13.122 7.089 1.00 0.00 C ATOM 173 CE LYS A 11 -0.422 14.200 7.784 1.00 0.00 C ATOM 174 NZ LYS A 11 -0.931 15.178 6.796 1.00 0.00 N ATOM 0 H LYS A 11 2.571 9.462 7.533 1.00 0.00 H new ATOM 0 HA LYS A 11 0.678 10.049 9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.790 10.426 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.704 10.664 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.467 12.281 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.948 12.055 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.285 13.577 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.173 12.661 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.257 13.739 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.184 14.711 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.495 15.903 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.130 15.631 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.526 14.688 6.098 1.00 0.00 H new ATOM 188 N THR A 12 -1.129 8.371 9.407 1.00 0.00 N ATOM 189 CA THR A 12 -2.044 7.244 9.475 1.00 0.00 C ATOM 190 C THR A 12 -3.313 7.539 8.673 1.00 0.00 C ATOM 191 O THR A 12 -4.032 8.491 8.968 1.00 0.00 O ATOM 192 CB THR A 12 -2.315 6.944 10.950 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.107 6.342 11.409 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.370 5.853 11.142 1.00 0.00 C ATOM 0 H THR A 12 -1.382 9.162 9.999 1.00 0.00 H new ATOM 0 HA THR A 12 -1.609 6.353 9.021 1.00 0.00 H new ATOM 0 HB THR A 12 -2.640 7.855 11.452 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.194 6.116 12.359 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.524 5.679 12.207 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.308 6.170 10.687 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.030 4.931 10.669 1.00 0.00 H new ATOM 202 N ILE A 13 -3.549 6.703 7.671 1.00 0.00 N ATOM 203 CA ILE A 13 -4.719 6.861 6.824 1.00 0.00 C ATOM 204 C ILE A 13 -5.517 5.556 6.815 1.00 0.00 C ATOM 205 O ILE A 13 -5.031 4.530 6.343 1.00 0.00 O ATOM 206 CB ILE A 13 -4.309 7.341 5.430 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.797 8.783 5.475 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.457 7.171 4.433 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.767 9.032 4.372 1.00 0.00 C ATOM 0 H ILE A 13 -2.950 5.915 7.427 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.377 7.634 7.222 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.485 6.718 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.633 9.473 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.349 8.984 6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.140 7.519 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.734 6.118 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.316 7.754 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.419 10.064 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.922 8.356 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.225 8.854 3.399 1.00 0.00 H new ATOM 221 N THR A 14 -6.730 5.638 7.343 1.00 0.00 N ATOM 222 CA THR A 14 -7.600 4.476 7.401 1.00 0.00 C ATOM 223 C THR A 14 -8.556 4.464 6.207 1.00 0.00 C ATOM 224 O THR A 14 -9.025 5.515 5.773 1.00 0.00 O ATOM 225 CB THR A 14 -8.318 4.491 8.752 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.286 4.783 9.691 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.817 3.105 9.166 1.00 0.00 C ATOM 0 H THR A 14 -7.130 6.491 7.734 1.00 0.00 H new ATOM 0 HA THR A 14 -7.028 3.551 7.329 1.00 0.00 H new ATOM 0 HB THR A 14 -9.160 5.181 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.171 4.022 10.298 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.319 3.172 10.131 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.517 2.732 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.971 2.422 9.244 1.00 0.00 H new ATOM 235 N LEU A 15 -8.814 3.264 5.708 1.00 0.00 N ATOM 236 CA LEU A 15 -9.705 3.102 4.572 1.00 0.00 C ATOM 237 C LEU A 15 -10.610 1.891 4.808 1.00 0.00 C ATOM 238 O LEU A 15 -10.157 0.859 5.300 1.00 0.00 O ATOM 239 CB LEU A 15 -8.904 3.027 3.270 1.00 0.00 C ATOM 240 CG LEU A 15 -9.585 3.607 2.029 1.00 0.00 C ATOM 241 CD1 LEU A 15 -9.219 5.081 1.841 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.264 2.774 0.787 1.00 0.00 C ATOM 0 H LEU A 15 -8.422 2.395 6.070 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.355 3.971 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.958 3.548 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.665 1.982 3.074 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.664 3.559 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.716 5.469 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.540 5.650 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.140 5.176 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.761 3.208 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.187 2.766 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.616 1.753 0.933 1.00 0.00 H new ATOM 254 N GLU A 16 -11.873 2.058 4.446 1.00 0.00 N ATOM 255 CA GLU A 16 -12.846 0.992 4.612 1.00 0.00 C ATOM 256 C GLU A 16 -13.094 0.287 3.277 1.00 0.00 C ATOM 257 O GLU A 16 -13.553 0.906 2.319 1.00 0.00 O ATOM 258 CB GLU A 16 -14.154 1.529 5.199 1.00 0.00 C ATOM 259 CG GLU A 16 -15.167 0.401 5.403 1.00 0.00 C ATOM 260 CD GLU A 16 -15.892 0.552 6.743 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.298 0.136 7.761 1.00 0.00 O ATOM 262 OE2 GLU A 16 -17.024 1.082 6.718 1.00 0.00 O ATOM 0 H GLU A 16 -12.245 2.916 4.038 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.442 0.265 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.955 2.020 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.573 2.283 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.893 0.407 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.657 -0.562 5.368 1.00 0.00 H new ATOM 269 N VAL A 17 -12.779 -1.000 3.257 1.00 0.00 N ATOM 270 CA VAL A 17 -12.961 -1.797 2.056 1.00 0.00 C ATOM 271 C VAL A 17 -13.487 -3.180 2.442 1.00 0.00 C ATOM 272 O VAL A 17 -13.627 -3.488 3.624 1.00 0.00 O ATOM 273 CB VAL A 17 -11.654 -1.853 1.262 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.168 -0.447 0.904 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.580 -2.626 2.030 1.00 0.00 C ATOM 0 H VAL A 17 -12.399 -1.511 4.054 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.703 -1.339 1.402 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.850 -2.386 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.238 -0.516 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.923 0.056 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.997 0.122 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.661 -2.651 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.389 -2.134 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.924 -3.645 2.210 1.00 0.00 H new ATOM 285 N GLU A 18 -13.763 -3.979 1.420 1.00 0.00 N ATOM 286 CA GLU A 18 -14.271 -5.323 1.638 1.00 0.00 C ATOM 287 C GLU A 18 -13.187 -6.357 1.325 1.00 0.00 C ATOM 288 O GLU A 18 -12.209 -6.049 0.645 1.00 0.00 O ATOM 289 CB GLU A 18 -15.528 -5.576 0.802 1.00 0.00 C ATOM 290 CG GLU A 18 -16.791 -5.250 1.601 1.00 0.00 C ATOM 291 CD GLU A 18 -18.049 -5.596 0.801 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.480 -6.765 0.898 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.551 -4.682 0.111 1.00 0.00 O ATOM 0 H GLU A 18 -13.644 -3.721 0.440 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.547 -5.421 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.497 -4.967 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.554 -6.618 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.787 -5.807 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.799 -4.191 1.859 1.00 0.00 H new ATOM 300 N PRO A 19 -13.402 -7.592 1.851 1.00 0.00 N ATOM 301 CA PRO A 19 -12.455 -8.673 1.635 1.00 0.00 C ATOM 302 C PRO A 19 -12.565 -9.221 0.210 1.00 0.00 C ATOM 303 O PRO A 19 -11.696 -9.967 -0.240 1.00 0.00 O ATOM 304 CB PRO A 19 -12.789 -9.707 2.697 1.00 0.00 C ATOM 305 CG PRO A 19 -14.198 -9.382 3.167 1.00 0.00 C ATOM 306 CD PRO A 19 -14.548 -7.992 2.662 1.00 0.00 C ATOM 0 HA PRO A 19 -11.418 -8.349 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.736 -10.717 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.081 -9.660 3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.907 -10.117 2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.256 -9.419 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.465 -8.004 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.709 -7.300 3.488 1.00 0.00 H new ATOM 314 N SER A 20 -13.640 -8.830 -0.459 1.00 0.00 N ATOM 315 CA SER A 20 -13.874 -9.274 -1.822 1.00 0.00 C ATOM 316 C SER A 20 -13.219 -8.304 -2.808 1.00 0.00 C ATOM 317 O SER A 20 -12.881 -8.686 -3.927 1.00 0.00 O ATOM 318 CB SER A 20 -15.371 -9.394 -2.113 1.00 0.00 C ATOM 319 OG SER A 20 -15.626 -9.748 -3.469 1.00 0.00 O ATOM 0 H SER A 20 -14.358 -8.211 -0.082 1.00 0.00 H new ATOM 0 HA SER A 20 -13.427 -10.261 -1.941 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.809 -10.144 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.861 -8.447 -1.888 1.00 0.00 H new ATOM 0 HG SER A 20 -16.593 -9.816 -3.613 1.00 0.00 H new ATOM 325 N ASP A 21 -13.059 -7.069 -2.356 1.00 0.00 N ATOM 326 CA ASP A 21 -12.450 -6.042 -3.184 1.00 0.00 C ATOM 327 C ASP A 21 -10.982 -6.393 -3.428 1.00 0.00 C ATOM 328 O ASP A 21 -10.311 -6.920 -2.542 1.00 0.00 O ATOM 329 CB ASP A 21 -12.502 -4.677 -2.494 1.00 0.00 C ATOM 330 CG ASP A 21 -13.847 -4.325 -1.855 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.834 -5.012 -2.195 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.857 -3.378 -1.040 1.00 0.00 O ATOM 0 H ASP A 21 -13.341 -6.756 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.002 -5.994 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.732 -4.647 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.252 -3.908 -3.225 1.00 0.00 H new ATOM 337 N THR A 22 -10.526 -6.087 -4.634 1.00 0.00 N ATOM 338 CA THR A 22 -9.149 -6.365 -5.005 1.00 0.00 C ATOM 339 C THR A 22 -8.237 -5.218 -4.566 1.00 0.00 C ATOM 340 O THR A 22 -8.715 -4.164 -4.151 1.00 0.00 O ATOM 341 CB THR A 22 -9.110 -6.629 -6.512 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.702 -5.467 -7.084 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.044 -7.767 -6.931 1.00 0.00 C ATOM 0 H THR A 22 -11.085 -5.650 -5.366 1.00 0.00 H new ATOM 0 HA THR A 22 -8.773 -7.252 -4.495 1.00 0.00 H new ATOM 0 HB THR A 22 -8.089 -6.867 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.715 -5.553 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.978 -7.913 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.750 -8.685 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.069 -7.514 -6.661 1.00 0.00 H new ATOM 351 N ILE A 23 -6.938 -5.462 -4.673 1.00 0.00 N ATOM 352 CA ILE A 23 -5.955 -4.463 -4.291 1.00 0.00 C ATOM 353 C ILE A 23 -6.178 -3.194 -5.117 1.00 0.00 C ATOM 354 O ILE A 23 -6.078 -2.085 -4.596 1.00 0.00 O ATOM 355 CB ILE A 23 -4.540 -5.033 -4.409 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.235 -5.987 -3.252 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.504 -3.911 -4.514 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.053 -5.220 -1.941 1.00 0.00 C ATOM 0 H ILE A 23 -6.544 -6.337 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.077 -4.188 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.481 -5.614 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.047 -6.707 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.332 -6.555 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.507 -4.343 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.712 -3.306 -5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.555 -3.284 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.837 -5.922 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.225 -4.518 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.967 -4.672 -1.710 1.00 0.00 H new ATOM 370 N GLU A 24 -6.476 -3.400 -6.391 1.00 0.00 N ATOM 371 CA GLU A 24 -6.712 -2.286 -7.294 1.00 0.00 C ATOM 372 C GLU A 24 -7.911 -1.464 -6.817 1.00 0.00 C ATOM 373 O GLU A 24 -7.913 -0.239 -6.934 1.00 0.00 O ATOM 374 CB GLU A 24 -6.920 -2.777 -8.729 1.00 0.00 C ATOM 375 CG GLU A 24 -6.554 -1.689 -9.739 1.00 0.00 C ATOM 376 CD GLU A 24 -7.766 -1.296 -10.585 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.669 -0.644 -10.016 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.762 -1.655 -11.782 1.00 0.00 O ATOM 0 H GLU A 24 -6.560 -4.322 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.830 -1.645 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.310 -3.663 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.960 -3.073 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.174 -0.813 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.753 -2.044 -10.388 1.00 0.00 H new ATOM 385 N ASN A 25 -8.901 -2.169 -6.290 1.00 0.00 N ATOM 386 CA ASN A 25 -10.103 -1.518 -5.796 1.00 0.00 C ATOM 387 C ASN A 25 -9.746 -0.648 -4.589 1.00 0.00 C ATOM 388 O ASN A 25 -10.187 0.496 -4.494 1.00 0.00 O ATOM 389 CB ASN A 25 -11.141 -2.548 -5.346 1.00 0.00 C ATOM 390 CG ASN A 25 -12.537 -1.927 -5.283 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.726 -0.803 -4.847 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.503 -2.720 -5.739 1.00 0.00 N ATOM 0 H ASN A 25 -8.896 -3.184 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.519 -0.917 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.145 -3.391 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.869 -2.940 -4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.471 -2.398 -5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.276 -3.650 -6.090 1.00 0.00 H new ATOM 399 N VAL A 26 -8.952 -1.223 -3.700 1.00 0.00 N ATOM 400 CA VAL A 26 -8.531 -0.513 -2.502 1.00 0.00 C ATOM 401 C VAL A 26 -7.686 0.698 -2.903 1.00 0.00 C ATOM 402 O VAL A 26 -7.876 1.793 -2.377 1.00 0.00 O ATOM 403 CB VAL A 26 -7.797 -1.469 -1.559 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.545 -0.811 -0.201 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.566 -2.781 -1.399 1.00 0.00 C ATOM 0 H VAL A 26 -8.588 -2.172 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.396 -0.139 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.830 -1.702 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.022 -1.511 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.936 0.083 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.497 -0.535 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.022 -3.442 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.554 -2.576 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.671 -3.262 -2.371 1.00 0.00 H new ATOM 415 N LYS A 27 -6.772 0.460 -3.833 1.00 0.00 N ATOM 416 CA LYS A 27 -5.899 1.519 -4.311 1.00 0.00 C ATOM 417 C LYS A 27 -6.743 2.618 -4.957 1.00 0.00 C ATOM 418 O LYS A 27 -6.487 3.803 -4.752 1.00 0.00 O ATOM 419 CB LYS A 27 -4.821 0.946 -5.234 1.00 0.00 C ATOM 420 CG LYS A 27 -3.562 0.580 -4.446 1.00 0.00 C ATOM 421 CD LYS A 27 -3.128 -0.856 -4.746 1.00 0.00 C ATOM 422 CE LYS A 27 -2.153 -0.901 -5.923 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.850 -1.322 -7.158 1.00 0.00 N ATOM 0 H LYS A 27 -6.617 -0.450 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.364 1.978 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.205 0.062 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.572 1.675 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.756 1.268 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.751 0.691 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.658 -1.289 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.004 -1.464 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.704 0.082 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.340 -1.593 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.234 -1.154 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.080 -2.335 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.727 -0.774 -7.266 1.00 0.00 H new ATOM 437 N ALA A 28 -7.732 2.186 -5.726 1.00 0.00 N ATOM 438 CA ALA A 28 -8.616 3.119 -6.404 1.00 0.00 C ATOM 439 C ALA A 28 -9.317 3.997 -5.365 1.00 0.00 C ATOM 440 O ALA A 28 -9.477 5.200 -5.570 1.00 0.00 O ATOM 441 CB ALA A 28 -9.605 2.344 -7.275 1.00 0.00 C ATOM 0 H ALA A 28 -7.941 1.202 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.048 3.777 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.268 3.044 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.058 1.760 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.195 1.675 -6.648 1.00 0.00 H new ATOM 447 N LYS A 29 -9.716 3.362 -4.274 1.00 0.00 N ATOM 448 CA LYS A 29 -10.397 4.071 -3.203 1.00 0.00 C ATOM 449 C LYS A 29 -9.447 5.106 -2.599 1.00 0.00 C ATOM 450 O LYS A 29 -9.856 6.225 -2.293 1.00 0.00 O ATOM 451 CB LYS A 29 -10.960 3.082 -2.180 1.00 0.00 C ATOM 452 CG LYS A 29 -12.470 2.907 -2.360 1.00 0.00 C ATOM 453 CD LYS A 29 -13.060 2.047 -1.240 1.00 0.00 C ATOM 454 CE LYS A 29 -14.398 2.612 -0.761 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.291 1.521 -0.311 1.00 0.00 N ATOM 0 H LYS A 29 -9.581 2.365 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.257 4.616 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.463 2.118 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.749 3.437 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.955 3.883 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.673 2.443 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.199 1.026 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.361 2.001 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.231 3.314 0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.874 3.170 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.251 1.895 -0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.316 0.773 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.935 1.127 0.583 1.00 0.00 H new ATOM 469 N ILE A 30 -8.197 4.696 -2.442 1.00 0.00 N ATOM 470 CA ILE A 30 -7.186 5.574 -1.879 1.00 0.00 C ATOM 471 C ILE A 30 -6.969 6.762 -2.818 1.00 0.00 C ATOM 472 O ILE A 30 -6.726 7.880 -2.365 1.00 0.00 O ATOM 473 CB ILE A 30 -5.907 4.792 -1.572 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.180 3.670 -0.568 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.794 5.727 -1.097 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.192 2.516 -0.754 1.00 0.00 C ATOM 0 H ILE A 30 -7.861 3.767 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.522 5.978 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.562 4.324 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.104 4.059 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.199 3.305 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.896 5.146 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.578 6.459 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.114 6.243 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.408 1.732 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.288 2.114 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.175 2.880 -0.604 1.00 0.00 H new ATOM 488 N GLN A 31 -7.064 6.480 -4.109 1.00 0.00 N ATOM 489 CA GLN A 31 -6.881 7.512 -5.117 1.00 0.00 C ATOM 490 C GLN A 31 -7.983 8.567 -5.002 1.00 0.00 C ATOM 491 O GLN A 31 -7.699 9.745 -4.786 1.00 0.00 O ATOM 492 CB GLN A 31 -6.845 6.907 -6.521 1.00 0.00 C ATOM 493 CG GLN A 31 -6.810 8.001 -7.589 1.00 0.00 C ATOM 494 CD GLN A 31 -6.859 7.398 -8.995 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.114 6.221 -9.184 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.599 8.269 -9.966 1.00 0.00 N ATOM 0 H GLN A 31 -7.265 5.552 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.921 7.997 -4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.969 6.267 -6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.720 6.275 -6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.654 8.677 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.903 8.595 -7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.393 9.241 -9.737 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.606 7.965 -10.939 1.00 0.00 H new ATOM 505 N ASP A 32 -9.216 8.106 -5.150 1.00 0.00 N ATOM 506 CA ASP A 32 -10.362 8.997 -5.066 1.00 0.00 C ATOM 507 C ASP A 32 -10.367 9.687 -3.700 1.00 0.00 C ATOM 508 O ASP A 32 -10.894 10.789 -3.561 1.00 0.00 O ATOM 509 CB ASP A 32 -11.673 8.221 -5.209 1.00 0.00 C ATOM 510 CG ASP A 32 -12.728 8.890 -6.092 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.509 9.691 -5.534 1.00 0.00 O ATOM 512 OD2 ASP A 32 -12.728 8.588 -7.304 1.00 0.00 O ATOM 0 H ASP A 32 -9.447 7.128 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.284 9.725 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.451 7.235 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.096 8.067 -4.217 1.00 0.00 H new ATOM 517 N LYS A 33 -9.774 9.009 -2.729 1.00 0.00 N ATOM 518 CA LYS A 33 -9.702 9.544 -1.379 1.00 0.00 C ATOM 519 C LYS A 33 -8.629 10.633 -1.322 1.00 0.00 C ATOM 520 O LYS A 33 -8.946 11.821 -1.290 1.00 0.00 O ATOM 521 CB LYS A 33 -9.489 8.417 -0.367 1.00 0.00 C ATOM 522 CG LYS A 33 -9.739 8.907 1.061 1.00 0.00 C ATOM 523 CD LYS A 33 -10.805 8.056 1.754 1.00 0.00 C ATOM 524 CE LYS A 33 -12.142 8.795 1.814 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.122 8.168 0.896 1.00 0.00 N ATOM 0 H LYS A 33 -9.339 8.094 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.647 10.013 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.160 7.588 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.472 8.035 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.810 8.868 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.057 9.949 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.929 7.115 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.477 7.807 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.528 8.779 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.999 9.841 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.025 8.682 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.759 8.205 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.271 7.176 1.172 1.00 0.00 H new ATOM 539 N GLU A 34 -7.381 10.189 -1.312 1.00 0.00 N ATOM 540 CA GLU A 34 -6.259 11.111 -1.260 1.00 0.00 C ATOM 541 C GLU A 34 -6.156 11.897 -2.568 1.00 0.00 C ATOM 542 O GLU A 34 -6.226 13.125 -2.566 1.00 0.00 O ATOM 543 CB GLU A 34 -4.954 10.370 -0.961 1.00 0.00 C ATOM 544 CG GLU A 34 -4.834 10.051 0.530 1.00 0.00 C ATOM 545 CD GLU A 34 -3.680 9.081 0.792 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.522 9.544 0.724 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.983 7.896 1.054 1.00 0.00 O ATOM 0 H GLU A 34 -7.122 9.203 -1.339 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.432 11.817 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.916 9.446 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.106 10.978 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.674 10.972 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.767 9.617 0.889 1.00 0.00 H new ATOM 554 N GLY A 35 -5.991 11.157 -3.654 1.00 0.00 N ATOM 555 CA GLY A 35 -5.879 11.769 -4.967 1.00 0.00 C ATOM 556 C GLY A 35 -4.686 11.200 -5.736 1.00 0.00 C ATOM 557 O GLY A 35 -4.469 11.545 -6.898 1.00 0.00 O ATOM 0 H GLY A 35 -5.932 10.139 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.796 11.598 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.767 12.848 -4.861 1.00 0.00 H new ATOM 561 N ILE A 36 -3.943 10.336 -5.060 1.00 0.00 N ATOM 562 CA ILE A 36 -2.777 9.715 -5.666 1.00 0.00 C ATOM 563 C ILE A 36 -3.230 8.584 -6.590 1.00 0.00 C ATOM 564 O ILE A 36 -4.195 7.882 -6.293 1.00 0.00 O ATOM 565 CB ILE A 36 -1.787 9.269 -4.588 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.235 10.471 -3.819 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.672 8.412 -5.189 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.103 10.154 -2.328 1.00 0.00 C ATOM 0 H ILE A 36 -4.126 10.051 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.239 10.435 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.321 8.646 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.262 10.750 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.894 11.328 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.018 8.108 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.105 7.526 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.134 8.990 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.709 11.025 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.082 9.899 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.424 9.312 -2.194 1.00 0.00 H new ATOM 580 N PRO A 37 -2.494 8.438 -7.724 1.00 0.00 N ATOM 581 CA PRO A 37 -2.810 7.405 -8.695 1.00 0.00 C ATOM 582 C PRO A 37 -2.371 6.028 -8.193 1.00 0.00 C ATOM 583 O PRO A 37 -1.429 5.920 -7.409 1.00 0.00 O ATOM 584 CB PRO A 37 -2.094 7.828 -9.968 1.00 0.00 C ATOM 585 CG PRO A 37 -1.033 8.827 -9.537 1.00 0.00 C ATOM 586 CD PRO A 37 -1.344 9.252 -8.111 1.00 0.00 C ATOM 0 HA PRO A 37 -3.881 7.307 -8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.643 6.970 -10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.790 8.278 -10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.041 8.379 -9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.031 9.691 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.494 9.076 -7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.575 10.316 -8.056 1.00 0.00 H new ATOM 594 N PRO A 38 -3.094 4.982 -8.676 1.00 0.00 N ATOM 595 CA PRO A 38 -2.788 3.616 -8.284 1.00 0.00 C ATOM 596 C PRO A 38 -1.526 3.114 -8.987 1.00 0.00 C ATOM 597 O PRO A 38 -0.918 2.135 -8.555 1.00 0.00 O ATOM 598 CB PRO A 38 -4.028 2.817 -8.649 1.00 0.00 C ATOM 599 CG PRO A 38 -4.795 3.666 -9.648 1.00 0.00 C ATOM 600 CD PRO A 38 -4.216 5.072 -9.606 1.00 0.00 C ATOM 0 HA PRO A 38 -2.567 3.522 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.758 1.854 -9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.633 2.611 -7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.709 3.247 -10.651 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.856 3.682 -9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.887 5.395 -10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.956 5.795 -9.265 1.00 0.00 H new ATOM 608 N ASP A 39 -1.167 3.806 -10.058 1.00 0.00 N ATOM 609 CA ASP A 39 0.013 3.441 -10.825 1.00 0.00 C ATOM 610 C ASP A 39 1.263 3.725 -9.992 1.00 0.00 C ATOM 611 O ASP A 39 2.182 2.908 -9.946 1.00 0.00 O ATOM 612 CB ASP A 39 0.106 4.261 -12.113 1.00 0.00 C ATOM 613 CG ASP A 39 -1.150 4.241 -12.986 1.00 0.00 C ATOM 614 OD1 ASP A 39 -2.138 4.885 -12.573 1.00 0.00 O ATOM 615 OD2 ASP A 39 -1.094 3.582 -14.047 1.00 0.00 O ATOM 0 H ASP A 39 -1.672 4.618 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.060 2.383 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.332 5.295 -11.852 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.945 3.890 -12.702 1.00 0.00 H new ATOM 620 N GLN A 40 1.260 4.886 -9.353 1.00 0.00 N ATOM 621 CA GLN A 40 2.385 5.288 -8.524 1.00 0.00 C ATOM 622 C GLN A 40 2.169 4.829 -7.080 1.00 0.00 C ATOM 623 O GLN A 40 2.817 5.330 -6.163 1.00 0.00 O ATOM 624 CB GLN A 40 2.604 6.800 -8.592 1.00 0.00 C ATOM 625 CG GLN A 40 1.622 7.538 -7.680 1.00 0.00 C ATOM 626 CD GLN A 40 1.891 9.044 -7.690 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.023 9.684 -6.659 1.00 0.00 O ATOM 628 NE2 GLN A 40 1.963 9.573 -8.908 1.00 0.00 N ATOM 0 H GLN A 40 0.497 5.561 -9.392 1.00 0.00 H new ATOM 0 HA GLN A 40 3.285 4.807 -8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.627 7.036 -8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.480 7.143 -9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.600 7.345 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.708 7.156 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.843 8.980 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.138 10.572 -9.021 1.00 0.00 H new ATOM 637 N GLN A 41 1.256 3.882 -6.924 1.00 0.00 N ATOM 638 CA GLN A 41 0.947 3.351 -5.607 1.00 0.00 C ATOM 639 C GLN A 41 1.781 2.097 -5.331 1.00 0.00 C ATOM 640 O GLN A 41 1.846 1.195 -6.165 1.00 0.00 O ATOM 641 CB GLN A 41 -0.548 3.056 -5.471 1.00 0.00 C ATOM 642 CG GLN A 41 -1.274 4.210 -4.778 1.00 0.00 C ATOM 643 CD GLN A 41 -2.746 3.868 -4.539 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.100 3.147 -3.621 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.580 4.423 -5.413 1.00 0.00 N ATOM 0 H GLN A 41 0.720 3.469 -7.687 1.00 0.00 H new ATOM 0 HA GLN A 41 1.204 4.106 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.981 2.890 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.691 2.138 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.789 4.430 -3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.201 5.110 -5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.217 5.017 -6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.583 4.255 -5.338 1.00 0.00 H new ATOM 654 N ARG A 42 2.396 2.081 -4.158 1.00 0.00 N ATOM 655 CA ARG A 42 3.222 0.953 -3.762 1.00 0.00 C ATOM 656 C ARG A 42 2.899 0.535 -2.326 1.00 0.00 C ATOM 657 O ARG A 42 3.453 1.087 -1.376 1.00 0.00 O ATOM 658 CB ARG A 42 4.709 1.297 -3.863 1.00 0.00 C ATOM 659 CG ARG A 42 5.539 0.054 -4.191 1.00 0.00 C ATOM 660 CD ARG A 42 7.008 0.420 -4.418 1.00 0.00 C ATOM 661 NE ARG A 42 7.239 0.721 -5.848 1.00 0.00 N ATOM 662 CZ ARG A 42 7.337 -0.210 -6.805 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.223 -1.507 -6.493 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.548 0.157 -8.078 1.00 0.00 N ATOM 0 H ARG A 42 2.339 2.831 -3.469 1.00 0.00 H new ATOM 0 HA ARG A 42 3.004 0.129 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.859 2.053 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.051 1.729 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.461 -0.665 -3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.139 -0.430 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.275 1.283 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.649 -0.403 -4.103 1.00 0.00 H new ATOM 0 HE ARG A 42 7.329 1.699 -6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.061 -1.786 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.298 -2.216 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.634 1.145 -8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.623 -0.552 -8.807 1.00 0.00 H new ATOM 678 N LEU A 43 2.002 -0.432 -2.213 1.00 0.00 N ATOM 679 CA LEU A 43 1.598 -0.930 -0.909 1.00 0.00 C ATOM 680 C LEU A 43 2.401 -2.189 -0.576 1.00 0.00 C ATOM 681 O LEU A 43 2.347 -3.175 -1.309 1.00 0.00 O ATOM 682 CB LEU A 43 0.083 -1.137 -0.860 1.00 0.00 C ATOM 683 CG LEU A 43 -0.762 -0.077 -1.571 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.234 -0.190 -1.171 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.206 1.327 -1.321 1.00 0.00 C ATOM 0 H LEU A 43 1.543 -0.885 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 43 1.822 -0.195 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.145 -2.109 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.225 -1.178 0.185 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.705 -0.259 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.812 0.575 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.610 -1.176 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.330 -0.049 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.825 2.061 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.212 1.536 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.816 1.386 -1.696 1.00 0.00 H new ATOM 697 N ILE A 44 3.128 -2.114 0.528 1.00 0.00 N ATOM 698 CA ILE A 44 3.941 -3.235 0.967 1.00 0.00 C ATOM 699 C ILE A 44 3.232 -3.957 2.114 1.00 0.00 C ATOM 700 O ILE A 44 2.626 -3.318 2.974 1.00 0.00 O ATOM 701 CB ILE A 44 5.356 -2.767 1.315 1.00 0.00 C ATOM 702 CG1 ILE A 44 6.057 -2.180 0.089 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.166 -3.898 1.952 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.485 -0.733 0.342 1.00 0.00 C ATOM 0 H ILE A 44 3.171 -1.294 1.132 1.00 0.00 H new ATOM 0 HA ILE A 44 4.059 -3.958 0.160 1.00 0.00 H new ATOM 0 HB ILE A 44 5.280 -1.969 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.930 -2.783 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.388 -2.220 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.167 -3.539 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.673 -4.229 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.236 -4.733 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.981 -0.340 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.607 -0.127 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.173 -0.699 1.187 1.00 0.00 H new ATOM 716 N PHE A 45 3.331 -5.278 2.092 1.00 0.00 N ATOM 717 CA PHE A 45 2.706 -6.092 3.120 1.00 0.00 C ATOM 718 C PHE A 45 3.469 -7.404 3.320 1.00 0.00 C ATOM 719 O PHE A 45 3.578 -8.209 2.395 1.00 0.00 O ATOM 720 CB PHE A 45 1.288 -6.409 2.640 1.00 0.00 C ATOM 721 CG PHE A 45 0.291 -6.667 3.771 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.540 -7.640 4.688 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.844 -5.924 3.860 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.385 -7.880 5.738 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.770 -6.164 4.910 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.520 -7.138 5.827 1.00 0.00 C ATOM 0 H PHE A 45 3.835 -5.805 1.378 1.00 0.00 H new ATOM 0 HA PHE A 45 2.704 -5.555 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.927 -5.579 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.322 -7.285 1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.442 -8.230 4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.042 -5.151 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.187 -8.652 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.672 -5.574 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.224 -7.321 6.626 1.00 0.00 H new ATOM 736 N ALA A 46 3.975 -7.578 4.530 1.00 0.00 N ATOM 737 CA ALA A 46 4.724 -8.778 4.862 1.00 0.00 C ATOM 738 C ALA A 46 5.953 -8.875 3.955 1.00 0.00 C ATOM 739 O ALA A 46 6.489 -9.962 3.744 1.00 0.00 O ATOM 740 CB ALA A 46 3.812 -10.000 4.741 1.00 0.00 C ATOM 0 H ALA A 46 3.882 -6.908 5.294 1.00 0.00 H new ATOM 0 HA ALA A 46 5.077 -8.736 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.374 -10.900 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.971 -9.896 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.439 -10.076 3.719 1.00 0.00 H new ATOM 746 N GLY A 47 6.361 -7.724 3.441 1.00 0.00 N ATOM 747 CA GLY A 47 7.516 -7.666 2.561 1.00 0.00 C ATOM 748 C GLY A 47 7.117 -7.958 1.112 1.00 0.00 C ATOM 749 O GLY A 47 7.959 -7.938 0.217 1.00 0.00 O ATOM 0 H GLY A 47 5.913 -6.825 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.976 -6.680 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.264 -8.388 2.889 1.00 0.00 H new ATOM 753 N LYS A 48 5.832 -8.222 0.928 1.00 0.00 N ATOM 754 CA LYS A 48 5.311 -8.518 -0.395 1.00 0.00 C ATOM 755 C LYS A 48 4.464 -7.339 -0.881 1.00 0.00 C ATOM 756 O LYS A 48 3.649 -6.805 -0.130 1.00 0.00 O ATOM 757 CB LYS A 48 4.561 -9.851 -0.390 1.00 0.00 C ATOM 758 CG LYS A 48 4.204 -10.285 -1.814 1.00 0.00 C ATOM 759 CD LYS A 48 3.851 -11.773 -1.861 1.00 0.00 C ATOM 760 CE LYS A 48 2.461 -11.988 -2.464 1.00 0.00 C ATOM 761 NZ LYS A 48 2.567 -12.599 -3.807 1.00 0.00 N ATOM 0 H LYS A 48 5.136 -8.237 1.674 1.00 0.00 H new ATOM 0 HA LYS A 48 6.128 -8.640 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.176 -10.616 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.652 -9.759 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.362 -9.696 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.043 -10.085 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.594 -12.308 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.883 -12.190 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.871 -12.631 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.936 -11.035 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.615 -12.738 -4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.112 -11.972 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.049 -13.518 -3.733 1.00 0.00 H new ATOM 775 N GLN A 49 4.689 -6.967 -2.133 1.00 0.00 N ATOM 776 CA GLN A 49 3.957 -5.860 -2.727 1.00 0.00 C ATOM 777 C GLN A 49 2.598 -6.339 -3.242 1.00 0.00 C ATOM 778 O GLN A 49 2.514 -7.357 -3.926 1.00 0.00 O ATOM 779 CB GLN A 49 4.769 -5.206 -3.847 1.00 0.00 C ATOM 780 CG GLN A 49 6.072 -4.616 -3.306 1.00 0.00 C ATOM 781 CD GLN A 49 7.257 -5.538 -3.606 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.827 -6.165 -2.729 1.00 0.00 O ATOM 783 NE2 GLN A 49 7.592 -5.585 -4.893 1.00 0.00 N ATOM 0 H GLN A 49 5.367 -7.412 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 49 3.787 -5.106 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.992 -5.944 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.178 -4.421 -4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.246 -3.637 -3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.988 -4.464 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.072 -5.034 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.369 -6.172 -5.197 1.00 0.00 H new ATOM 792 N LEU A 50 1.569 -5.581 -2.893 1.00 0.00 N ATOM 793 CA LEU A 50 0.218 -5.914 -3.311 1.00 0.00 C ATOM 794 C LEU A 50 0.082 -5.679 -4.817 1.00 0.00 C ATOM 795 O LEU A 50 0.152 -4.541 -5.280 1.00 0.00 O ATOM 796 CB LEU A 50 -0.807 -5.148 -2.474 1.00 0.00 C ATOM 797 CG LEU A 50 -0.571 -5.143 -0.963 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.371 -4.029 -0.286 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.873 -6.515 -0.357 1.00 0.00 C ATOM 0 H LEU A 50 1.644 -4.737 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 50 0.014 -6.970 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.831 -4.115 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.793 -5.572 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 50 0.484 -4.936 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.185 -4.048 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.065 -3.064 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.434 -4.180 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.697 -6.484 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.914 -6.776 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.223 -7.264 -0.810 1.00 0.00 H new ATOM 811 N GLU A 51 -0.110 -6.773 -5.539 1.00 0.00 N ATOM 812 CA GLU A 51 -0.256 -6.701 -6.983 1.00 0.00 C ATOM 813 C GLU A 51 -1.725 -6.502 -7.358 1.00 0.00 C ATOM 814 O GLU A 51 -2.566 -7.350 -7.060 1.00 0.00 O ATOM 815 CB GLU A 51 0.319 -7.948 -7.657 1.00 0.00 C ATOM 816 CG GLU A 51 1.768 -8.187 -7.225 1.00 0.00 C ATOM 817 CD GLU A 51 1.941 -9.590 -6.640 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.589 -10.551 -7.358 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.421 -9.670 -5.489 1.00 0.00 O ATOM 0 H GLU A 51 -0.168 -7.715 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 51 0.310 -5.842 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.288 -8.816 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.273 -7.834 -8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.432 -8.061 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.058 -7.442 -6.484 1.00 0.00 H new ATOM 826 N ASP A 52 -1.992 -5.378 -8.007 1.00 0.00 N ATOM 827 CA ASP A 52 -3.346 -5.059 -8.427 1.00 0.00 C ATOM 828 C ASP A 52 -3.967 -6.282 -9.104 1.00 0.00 C ATOM 829 O ASP A 52 -3.626 -6.607 -10.240 1.00 0.00 O ATOM 830 CB ASP A 52 -3.353 -3.906 -9.434 1.00 0.00 C ATOM 831 CG ASP A 52 -2.334 -4.031 -10.567 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.133 -3.839 -10.274 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.777 -4.314 -11.701 1.00 0.00 O ATOM 0 H ASP A 52 -1.293 -4.677 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.914 -4.769 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.350 -3.829 -9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.166 -2.975 -8.899 1.00 0.00 H new ATOM 838 N GLY A 53 -4.870 -6.926 -8.379 1.00 0.00 N ATOM 839 CA GLY A 53 -5.542 -8.105 -8.895 1.00 0.00 C ATOM 840 C GLY A 53 -5.784 -9.130 -7.785 1.00 0.00 C ATOM 841 O GLY A 53 -6.566 -10.062 -7.956 1.00 0.00 O ATOM 0 H GLY A 53 -5.152 -6.653 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.493 -7.818 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.940 -8.554 -9.685 1.00 0.00 H new ATOM 845 N ARG A 54 -5.097 -8.920 -6.671 1.00 0.00 N ATOM 846 CA ARG A 54 -5.227 -9.813 -5.533 1.00 0.00 C ATOM 847 C ARG A 54 -6.235 -9.250 -4.528 1.00 0.00 C ATOM 848 O ARG A 54 -6.316 -8.038 -4.339 1.00 0.00 O ATOM 849 CB ARG A 54 -3.881 -10.015 -4.834 1.00 0.00 C ATOM 850 CG ARG A 54 -3.065 -11.112 -5.524 1.00 0.00 C ATOM 851 CD ARG A 54 -3.280 -12.464 -4.842 1.00 0.00 C ATOM 852 NE ARG A 54 -2.432 -13.494 -5.484 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.447 -14.792 -5.153 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.267 -15.229 -4.187 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.642 -15.655 -5.788 1.00 0.00 N ATOM 0 H ARG A 54 -4.449 -8.144 -6.533 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.578 -10.775 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.320 -9.081 -4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.045 -10.281 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.353 -11.180 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.007 -10.853 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.036 -12.389 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.329 -12.752 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.797 -13.197 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.880 -14.573 -3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.278 -16.217 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.018 -15.324 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.654 -16.643 -5.536 1.00 0.00 H new ATOM 869 N THR A 55 -6.977 -10.158 -3.911 1.00 0.00 N ATOM 870 CA THR A 55 -7.976 -9.767 -2.932 1.00 0.00 C ATOM 871 C THR A 55 -7.384 -9.801 -1.523 1.00 0.00 C ATOM 872 O THR A 55 -6.566 -10.666 -1.209 1.00 0.00 O ATOM 873 CB THR A 55 -9.190 -10.682 -3.103 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.625 -11.959 -3.387 1.00 0.00 O ATOM 875 CG2 THR A 55 -10.004 -10.348 -4.355 1.00 0.00 C ATOM 0 H THR A 55 -6.906 -11.163 -4.070 1.00 0.00 H new ATOM 0 HA THR A 55 -8.301 -8.739 -3.089 1.00 0.00 H new ATOM 0 HB THR A 55 -9.829 -10.605 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.343 -12.614 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.854 -11.027 -4.428 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.364 -9.321 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.375 -10.458 -5.238 1.00 0.00 H new ATOM 883 N LEU A 56 -7.817 -8.850 -0.708 1.00 0.00 N ATOM 884 CA LEU A 56 -7.339 -8.761 0.661 1.00 0.00 C ATOM 885 C LEU A 56 -7.578 -10.097 1.368 1.00 0.00 C ATOM 886 O LEU A 56 -6.774 -10.516 2.199 1.00 0.00 O ATOM 887 CB LEU A 56 -7.976 -7.566 1.374 1.00 0.00 C ATOM 888 CG LEU A 56 -7.701 -6.193 0.757 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.934 -5.293 0.849 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.469 -5.544 1.391 1.00 0.00 C ATOM 0 H LEU A 56 -8.494 -8.134 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.265 -8.578 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.055 -7.719 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.626 -7.555 2.406 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.483 -6.332 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.711 -4.324 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.763 -5.756 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.208 -5.157 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.296 -4.569 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.634 -5.419 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.599 -6.180 1.229 1.00 0.00 H new ATOM 902 N SER A 57 -8.688 -10.728 1.012 1.00 0.00 N ATOM 903 CA SER A 57 -9.043 -12.008 1.602 1.00 0.00 C ATOM 904 C SER A 57 -7.985 -13.057 1.252 1.00 0.00 C ATOM 905 O SER A 57 -7.515 -13.785 2.125 1.00 0.00 O ATOM 906 CB SER A 57 -10.424 -12.467 1.130 1.00 0.00 C ATOM 907 OG SER A 57 -10.748 -13.767 1.617 1.00 0.00 O ATOM 0 H SER A 57 -9.353 -10.377 0.323 1.00 0.00 H new ATOM 0 HA SER A 57 -9.081 -11.888 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.178 -11.755 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.453 -12.470 0.040 1.00 0.00 H new ATOM 0 HG SER A 57 -11.637 -14.024 1.296 1.00 0.00 H new ATOM 913 N ASP A 58 -7.643 -13.101 -0.027 1.00 0.00 N ATOM 914 CA ASP A 58 -6.650 -14.048 -0.504 1.00 0.00 C ATOM 915 C ASP A 58 -5.298 -13.730 0.138 1.00 0.00 C ATOM 916 O ASP A 58 -4.369 -14.534 0.069 1.00 0.00 O ATOM 917 CB ASP A 58 -6.485 -13.957 -2.022 1.00 0.00 C ATOM 918 CG ASP A 58 -6.980 -15.178 -2.801 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.255 -16.201 -2.137 1.00 0.00 O ATOM 920 OD2 ASP A 58 -7.072 -15.060 -4.042 1.00 0.00 O ATOM 0 H ASP A 58 -8.036 -12.496 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.986 -15.050 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.020 -13.076 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.430 -13.803 -2.249 1.00 0.00 H new ATOM 925 N TYR A 59 -5.230 -12.556 0.748 1.00 0.00 N ATOM 926 CA TYR A 59 -4.008 -12.121 1.402 1.00 0.00 C ATOM 927 C TYR A 59 -4.065 -12.390 2.906 1.00 0.00 C ATOM 928 O TYR A 59 -3.038 -12.371 3.584 1.00 0.00 O ATOM 929 CB TYR A 59 -3.919 -10.612 1.169 1.00 0.00 C ATOM 930 CG TYR A 59 -2.974 -10.212 0.033 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.664 -10.649 0.039 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.431 -9.415 -0.996 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.775 -10.272 -1.030 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.542 -9.039 -2.066 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.258 -9.486 -2.029 1.00 0.00 C ATOM 936 OH TYR A 59 -0.419 -9.131 -3.038 1.00 0.00 O ATOM 0 H TYR A 59 -6.002 -11.892 0.803 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.147 -12.657 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.916 -10.229 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.588 -10.131 2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.306 -11.273 0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.455 -9.073 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.252 -10.606 -1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.887 -8.417 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.847 -9.318 -3.900 1.00 0.00 H new ATOM 946 N ASN A 60 -5.275 -12.636 3.385 1.00 0.00 N ATOM 947 CA ASN A 60 -5.480 -12.909 4.798 1.00 0.00 C ATOM 948 C ASN A 60 -5.125 -11.662 5.611 1.00 0.00 C ATOM 949 O ASN A 60 -4.235 -11.704 6.460 1.00 0.00 O ATOM 950 CB ASN A 60 -4.585 -14.054 5.274 1.00 0.00 C ATOM 951 CG ASN A 60 -5.068 -14.607 6.615 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.803 -13.969 7.351 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.615 -15.827 6.892 1.00 0.00 N ATOM 0 H ASN A 60 -6.124 -12.652 2.820 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.525 -13.186 4.939 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.580 -14.850 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.558 -13.701 5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.880 -16.284 7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.002 -16.306 6.232 1.00 0.00 H new ATOM 960 N ILE A 61 -5.837 -10.584 5.322 1.00 0.00 N ATOM 961 CA ILE A 61 -5.607 -9.327 6.015 1.00 0.00 C ATOM 962 C ILE A 61 -6.344 -9.348 7.357 1.00 0.00 C ATOM 963 O ILE A 61 -7.462 -9.849 7.446 1.00 0.00 O ATOM 964 CB ILE A 61 -5.989 -8.144 5.123 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.279 -8.228 3.770 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.721 -6.815 5.830 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.790 -7.903 3.911 1.00 0.00 C ATOM 0 H ILE A 61 -6.574 -10.554 4.617 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.547 -9.201 6.234 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.060 -8.194 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.399 -9.228 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.742 -7.534 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.001 -5.991 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.309 -6.765 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.661 -6.740 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.309 -7.970 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.674 -6.893 4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.325 -8.614 4.594 1.00 0.00 H new ATOM 979 N GLN A 62 -5.685 -8.796 8.365 1.00 0.00 N ATOM 980 CA GLN A 62 -6.263 -8.745 9.697 1.00 0.00 C ATOM 981 C GLN A 62 -6.925 -7.387 9.937 1.00 0.00 C ATOM 982 O GLN A 62 -6.558 -6.394 9.310 1.00 0.00 O ATOM 983 CB GLN A 62 -5.207 -9.036 10.765 1.00 0.00 C ATOM 984 CG GLN A 62 -4.313 -10.206 10.348 1.00 0.00 C ATOM 985 CD GLN A 62 -4.468 -11.384 11.312 1.00 0.00 C ATOM 986 OE1 GLN A 62 -5.549 -11.909 11.525 1.00 0.00 O ATOM 987 NE2 GLN A 62 -3.330 -11.770 11.882 1.00 0.00 N ATOM 0 H GLN A 62 -4.757 -8.380 8.286 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.028 -9.518 9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.597 -8.148 10.929 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.696 -9.267 11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.570 -10.522 9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.272 -9.883 10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.459 -11.288 11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.328 -12.548 12.541 1.00 0.00 H new ATOM 996 N LYS A 63 -7.890 -7.387 10.844 1.00 0.00 N ATOM 997 CA LYS A 63 -8.607 -6.167 11.175 1.00 0.00 C ATOM 998 C LYS A 63 -7.600 -5.057 11.486 1.00 0.00 C ATOM 999 O LYS A 63 -6.690 -5.248 12.291 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.609 -6.422 12.302 1.00 0.00 C ATOM 1001 CG LYS A 63 -8.954 -7.185 13.456 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.712 -8.479 13.758 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.170 -9.151 15.021 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.900 -10.409 15.294 1.00 0.00 N ATOM 0 H LYS A 63 -8.193 -8.213 11.361 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.200 -5.831 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.002 -5.473 12.666 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.456 -6.992 11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.919 -7.416 13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.932 -6.556 14.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.773 -8.262 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.624 -9.162 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.107 -9.359 14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.269 -8.475 15.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.519 -10.852 16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.910 -10.202 15.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.784 -11.059 14.490 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.798 -3.922 10.832 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.919 -2.781 11.029 1.00 0.00 C ATOM 1020 C GLU A 64 -5.464 -3.185 10.782 1.00 0.00 C ATOM 1021 O GLU A 64 -4.607 -2.993 11.644 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.093 -2.190 12.430 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.524 -1.690 12.639 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.271 -2.567 13.645 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.646 -2.911 14.671 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.449 -2.875 13.365 1.00 0.00 O ATOM 0 H GLU A 64 -8.554 -3.768 10.165 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.190 -2.009 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.854 -2.945 13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.392 -1.367 12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.505 -0.660 12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.055 -1.689 11.687 1.00 0.00 H new ATOM 1033 N SER A 65 -5.228 -3.735 9.600 1.00 0.00 N ATOM 1034 CA SER A 65 -3.891 -4.167 9.228 1.00 0.00 C ATOM 1035 C SER A 65 -2.995 -2.949 8.992 1.00 0.00 C ATOM 1036 O SER A 65 -3.487 -1.860 8.702 1.00 0.00 O ATOM 1037 CB SER A 65 -3.926 -5.052 7.980 1.00 0.00 C ATOM 1038 OG SER A 65 -4.722 -4.483 6.944 1.00 0.00 O ATOM 0 H SER A 65 -5.940 -3.892 8.887 1.00 0.00 H new ATOM 0 HA SER A 65 -3.481 -4.758 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.910 -5.204 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.320 -6.034 8.243 1.00 0.00 H new ATOM 0 HG SER A 65 -4.973 -3.568 7.190 1.00 0.00 H new ATOM 1044 N THR A 66 -1.697 -3.175 9.123 1.00 0.00 N ATOM 1045 CA THR A 66 -0.728 -2.111 8.928 1.00 0.00 C ATOM 1046 C THR A 66 -0.086 -2.222 7.544 1.00 0.00 C ATOM 1047 O THR A 66 0.771 -3.077 7.320 1.00 0.00 O ATOM 1048 CB THR A 66 0.283 -2.175 10.075 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.418 -1.623 11.186 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.463 -1.222 9.869 1.00 0.00 C ATOM 0 H THR A 66 -1.293 -4.081 9.362 1.00 0.00 H new ATOM 0 HA THR A 66 -1.206 -1.132 8.952 1.00 0.00 H new ATOM 0 HB THR A 66 0.653 -3.195 10.176 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.164 -1.627 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.150 -1.307 10.711 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.984 -1.482 8.948 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.096 -0.198 9.802 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.523 -1.346 6.651 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.001 -1.336 5.295 1.00 0.00 C ATOM 1060 C LEU A 67 0.868 -0.092 5.097 1.00 0.00 C ATOM 1061 O LEU A 67 0.594 0.959 5.674 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.140 -1.457 4.282 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.937 -2.763 4.322 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.963 -2.744 5.456 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.586 -3.051 2.966 1.00 0.00 C ATOM 0 H LEU A 67 -1.233 -0.638 6.840 1.00 0.00 H new ATOM 0 HA LEU A 67 0.638 -2.203 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.830 -0.628 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.724 -1.339 3.281 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.245 -3.580 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.516 -3.683 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.449 -2.619 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.656 -1.916 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.146 -3.984 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.262 -2.237 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.812 -3.137 2.203 1.00 0.00 H new ATOM 1077 N HIS A 68 1.899 -0.254 4.281 1.00 0.00 N ATOM 1078 CA HIS A 68 2.810 0.843 4.000 1.00 0.00 C ATOM 1079 C HIS A 68 2.566 1.362 2.582 1.00 0.00 C ATOM 1080 O HIS A 68 2.819 0.657 1.606 1.00 0.00 O ATOM 1081 CB HIS A 68 4.261 0.418 4.235 1.00 0.00 C ATOM 1082 CG HIS A 68 4.810 0.823 5.582 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.323 -0.088 6.487 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.921 2.051 6.165 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.721 0.572 7.565 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.471 1.897 7.364 1.00 0.00 N ATOM 0 H HIS A 68 2.124 -1.128 3.805 1.00 0.00 H new ATOM 0 HA HIS A 68 2.618 1.666 4.689 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.332 -0.665 4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.886 0.851 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.614 2.989 5.726 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.165 0.137 8.448 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.673 2.647 8.026 1.00 0.00 H new ATOM 1094 N LEU A 69 2.079 2.592 2.511 1.00 0.00 N ATOM 1095 CA LEU A 69 1.798 3.213 1.229 1.00 0.00 C ATOM 1096 C LEU A 69 3.004 4.050 0.797 1.00 0.00 C ATOM 1097 O LEU A 69 3.218 5.148 1.311 1.00 0.00 O ATOM 1098 CB LEU A 69 0.490 4.006 1.292 1.00 0.00 C ATOM 1099 CG LEU A 69 0.384 5.201 0.342 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.421 4.746 -1.118 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.859 6.038 0.650 1.00 0.00 C ATOM 0 H LEU A 69 1.872 3.175 3.322 1.00 0.00 H new ATOM 0 HA LEU A 69 1.646 2.452 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.335 3.325 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.355 4.365 2.312 1.00 0.00 H new ATOM 0 HG LEU A 69 1.251 5.842 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.344 5.615 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.359 4.227 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.414 4.072 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.910 6.881 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.750 5.421 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.803 6.409 1.673 1.00 0.00 H new ATOM 1113 N VAL A 70 3.760 3.500 -0.141 1.00 0.00 N ATOM 1114 CA VAL A 70 4.940 4.182 -0.647 1.00 0.00 C ATOM 1115 C VAL A 70 4.723 4.542 -2.119 1.00 0.00 C ATOM 1116 O VAL A 70 3.875 3.953 -2.787 1.00 0.00 O ATOM 1117 CB VAL A 70 6.181 3.317 -0.420 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.416 3.955 -1.059 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.406 3.063 1.072 1.00 0.00 C ATOM 0 H VAL A 70 3.579 2.590 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 70 5.106 5.113 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 70 6.012 2.354 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.285 3.321 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.256 4.063 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.588 4.937 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.294 2.446 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.544 4.014 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.540 2.548 1.488 1.00 0.00 H new