USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 121:sc= 1.28 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.139 K(o=-0.018,f=-2.7!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -137:sc= 0.121 (180deg=-0.0496) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 143:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 175:sc= -0.132 (180deg=-0.147) USER MOD Single : A 1 MET N :NH3+ 169:sc= 2.01 (180deg=1.87) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.13) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 2.45 (180deg=2.41) USER MOD Single : A 31 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.379 K(o=0.38,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.0045) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.659 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000477) USER MOD Single : A 65 SER OG : rot 79:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.396 -6.514 -4.515 1.00 9.67 N ATOM 2 CA MET A 1 11.301 -6.979 -3.114 1.00 10.38 C ATOM 3 C MET A 1 9.949 -7.450 -2.686 1.00 9.62 C ATOM 4 O MET A 1 8.936 -6.903 -3.070 1.00 9.62 O ATOM 5 CB MET A 1 11.603 -5.756 -2.332 1.00 13.77 C ATOM 6 CG MET A 1 10.721 -4.479 -2.401 1.00 16.29 C ATOM 7 SD MET A 1 11.441 -3.063 -1.614 1.00 17.17 S ATOM 8 CE MET A 1 10.802 -1.739 -2.662 1.00 16.11 C ATOM 0 H1 MET A 1 12.309 -6.039 -4.662 1.00 9.67 H new ATOM 0 H2 MET A 1 11.322 -7.329 -5.157 1.00 9.67 H new ATOM 0 H3 MET A 1 10.623 -5.847 -4.712 1.00 9.67 H new ATOM 0 HA MET A 1 11.962 -7.834 -2.976 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.635 -6.056 -1.285 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.613 -5.452 -2.607 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.526 -4.241 -3.447 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.758 -4.690 -1.937 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.092 -0.774 -2.247 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.213 -1.840 -3.667 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.715 -1.803 -2.706 1.00 16.11 H new ATOM 20 N GLN A 2 9.930 -8.511 -1.836 1.00 9.27 N ATOM 21 CA GLN A 2 8.644 -9.018 -1.300 1.00 9.07 C ATOM 22 C GLN A 2 8.219 -8.343 0.032 1.00 8.72 C ATOM 23 O GLN A 2 9.014 -8.234 0.953 1.00 8.22 O ATOM 24 CB GLN A 2 8.787 -10.490 -0.840 1.00 14.46 C ATOM 25 CG GLN A 2 7.479 -11.089 -0.241 1.00 17.01 C ATOM 26 CD GLN A 2 7.587 -12.612 -0.109 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.040 -13.135 0.902 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.322 -13.342 -1.197 1.00 19.49 N ATOM 0 H GLN A 2 10.758 -9.014 -1.518 1.00 9.27 H new ATOM 0 HA GLN A 2 7.941 -8.840 -2.113 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.099 -11.098 -1.689 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.580 -10.553 -0.094 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.286 -10.648 0.737 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.632 -10.834 -0.878 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.945 -12.894 -2.032 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.497 -14.347 -1.192 1.00 19.49 H new ATOM 37 N ILE A 3 7.025 -7.857 0.055 1.00 5.87 N ATOM 38 CA ILE A 3 6.338 -7.113 1.134 1.00 5.07 C ATOM 39 C ILE A 3 4.988 -7.621 1.477 1.00 4.01 C ATOM 40 O ILE A 3 4.411 -8.364 0.654 1.00 4.61 O ATOM 41 CB ILE A 3 6.231 -5.576 0.916 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.380 -5.283 -0.374 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.641 -4.923 0.791 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.132 -3.776 -0.527 1.00 10.83 C ATOM 0 H ILE A 3 6.414 -7.966 -0.755 1.00 5.87 H new ATOM 0 HA ILE A 3 7.013 -7.299 1.970 1.00 5.07 H new ATOM 0 HB ILE A 3 5.737 -5.139 1.784 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.900 -5.662 -1.253 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.427 -5.810 -0.315 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.532 -3.849 0.639 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.209 -5.105 1.704 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.169 -5.358 -0.058 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.542 -3.594 -1.425 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.591 -3.406 0.344 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.087 -3.257 -0.609 1.00 10.83 H new ATOM 56 N PHE A 4 4.537 -7.299 2.682 1.00 4.55 N ATOM 57 CA PHE A 4 3.343 -7.801 3.303 1.00 4.68 C ATOM 58 C PHE A 4 2.372 -6.666 3.659 1.00 5.30 C ATOM 59 O PHE A 4 2.712 -5.773 4.408 1.00 5.58 O ATOM 60 CB PHE A 4 3.717 -8.657 4.569 1.00 4.83 C ATOM 61 CG PHE A 4 4.664 -9.781 4.305 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.353 -10.856 3.427 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.994 -9.674 4.804 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.329 -11.789 2.983 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.966 -10.681 4.478 1.00 10.61 C ATOM 66 CZ PHE A 4 6.639 -11.692 3.497 1.00 8.90 C ATOM 0 H PHE A 4 5.034 -6.639 3.280 1.00 4.55 H new ATOM 0 HA PHE A 4 2.828 -8.444 2.590 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.156 -7.999 5.319 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.802 -9.064 4.999 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.335 -10.968 3.084 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.272 -8.837 5.427 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.073 -12.556 2.267 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.932 -10.683 4.961 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.402 -12.376 3.156 1.00 8.90 H new ATOM 76 N VAL A 5 1.177 -6.689 3.177 1.00 4.44 N ATOM 77 CA VAL A 5 0.201 -5.578 3.429 1.00 3.87 C ATOM 78 C VAL A 5 -0.944 -6.169 4.298 1.00 4.93 C ATOM 79 O VAL A 5 -1.680 -7.016 3.744 1.00 6.84 O ATOM 80 CB VAL A 5 -0.425 -5.016 2.169 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.452 -3.895 2.477 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.672 -4.400 1.293 1.00 9.13 C ATOM 0 H VAL A 5 0.811 -7.447 2.600 1.00 4.44 H new ATOM 0 HA VAL A 5 0.744 -4.763 3.908 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.935 -5.839 1.668 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.875 -3.522 1.544 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.250 -4.295 3.103 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.954 -3.079 3.001 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.227 -3.994 0.385 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.170 -3.601 1.842 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.400 -5.167 1.029 1.00 9.13 H new ATOM 92 N LYS A 6 -1.115 -5.911 5.584 1.00 6.04 N ATOM 93 CA LYS A 6 -2.236 -6.318 6.387 1.00 6.12 C ATOM 94 C LYS A 6 -3.420 -5.459 6.011 1.00 6.57 C ATOM 95 O LYS A 6 -3.353 -4.245 5.851 1.00 5.76 O ATOM 96 CB LYS A 6 -1.978 -6.005 7.924 1.00 7.45 C ATOM 97 CG LYS A 6 -0.797 -6.731 8.522 1.00 11.12 C ATOM 98 CD LYS A 6 -0.949 -8.272 8.463 1.00 14.54 C ATOM 99 CE LYS A 6 0.403 -8.939 8.578 1.00 18.84 C ATOM 100 NZ LYS A 6 0.379 -10.392 8.502 1.00 20.55 N ATOM 0 H LYS A 6 -0.429 -5.379 6.119 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.397 -7.384 6.225 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.827 -4.932 8.043 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.873 -6.265 8.490 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.110 -6.439 7.992 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.673 -6.422 9.560 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.599 -8.611 9.270 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.426 -8.561 7.527 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.048 -8.559 7.785 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.856 -8.647 9.525 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.349 -10.750 8.385 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.030 -10.779 9.377 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.199 -10.688 7.690 1.00 20.55 H new ATOM 114 N THR A 7 -4.574 -6.122 5.902 1.00 7.41 N ATOM 115 CA THR A 7 -5.806 -5.523 5.488 1.00 7.48 C ATOM 116 C THR A 7 -6.819 -5.525 6.611 1.00 8.75 C ATOM 117 O THR A 7 -6.715 -6.291 7.549 1.00 8.58 O ATOM 118 CB THR A 7 -6.432 -6.002 4.162 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.909 -7.333 4.263 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.378 -5.946 3.055 1.00 9.17 C ATOM 0 H THR A 7 -4.660 -7.117 6.109 1.00 7.41 H new ATOM 0 HA THR A 7 -5.506 -4.503 5.247 1.00 7.48 H new ATOM 0 HB THR A 7 -7.272 -5.346 3.933 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.301 -7.606 3.407 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.818 -6.284 2.117 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.024 -4.921 2.941 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.541 -6.593 3.317 1.00 9.17 H new ATOM 128 N LEU A 8 -7.901 -4.770 6.509 1.00 9.84 N ATOM 129 CA LEU A 8 -8.992 -4.652 7.483 1.00 14.15 C ATOM 130 C LEU A 8 -9.788 -5.907 7.869 1.00 17.37 C ATOM 131 O LEU A 8 -10.343 -6.019 8.932 1.00 17.01 O ATOM 132 CB LEU A 8 -9.890 -3.527 6.902 1.00 16.63 C ATOM 133 CG LEU A 8 -10.903 -2.864 7.828 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.188 -1.939 8.803 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.905 -2.032 6.987 1.00 18.59 C ATOM 0 H LEU A 8 -8.058 -4.181 5.691 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.554 -4.438 8.458 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.236 -2.747 6.511 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.435 -3.941 6.054 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.435 -3.637 8.383 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.919 -1.469 9.461 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.481 -2.515 9.399 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.652 -1.169 8.248 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.630 -1.558 7.649 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.365 -1.265 6.431 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.426 -2.687 6.289 1.00 18.59 H new ATOM 147 N THR A 9 -9.868 -6.816 6.899 1.00 18.33 N ATOM 148 CA THR A 9 -10.641 -8.021 7.058 1.00 19.24 C ATOM 149 C THR A 9 -9.693 -9.157 7.432 1.00 19.48 C ATOM 150 O THR A 9 -10.084 -10.325 7.484 1.00 23.14 O ATOM 151 CB THR A 9 -11.478 -8.336 5.809 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.673 -8.409 4.610 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.395 -7.124 5.529 1.00 19.70 C ATOM 0 H THR A 9 -9.401 -6.730 5.996 1.00 18.33 H new ATOM 0 HA THR A 9 -11.366 -7.887 7.861 1.00 19.24 H new ATOM 0 HB THR A 9 -11.988 -9.279 6.007 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.247 -8.613 3.842 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.001 -7.323 4.645 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.047 -6.956 6.386 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.784 -6.237 5.358 1.00 19.70 H new ATOM 161 N GLY A 10 -8.458 -8.849 7.848 1.00 19.43 N ATOM 162 CA GLY A 10 -7.667 -9.817 8.661 1.00 18.74 C ATOM 163 C GLY A 10 -6.847 -10.763 7.805 1.00 17.62 C ATOM 164 O GLY A 10 -6.406 -11.850 8.177 1.00 19.74 O ATOM 0 H GLY A 10 -7.985 -7.968 7.649 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.003 -9.268 9.328 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.343 -10.396 9.290 1.00 18.74 H new ATOM 168 N LYS A 11 -6.694 -10.305 6.560 1.00 13.56 N ATOM 169 CA LYS A 11 -5.957 -10.948 5.477 1.00 11.91 C ATOM 170 C LYS A 11 -4.604 -10.393 5.267 1.00 10.18 C ATOM 171 O LYS A 11 -4.294 -9.317 5.755 1.00 9.10 O ATOM 172 CB LYS A 11 -6.674 -10.745 4.076 1.00 13.43 C ATOM 173 CG LYS A 11 -8.089 -11.187 4.106 1.00 16.69 C ATOM 174 CD LYS A 11 -8.612 -11.282 2.621 1.00 17.92 C ATOM 175 CE LYS A 11 -8.544 -12.679 2.019 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.272 -12.752 0.718 1.00 21.93 N ATOM 0 H LYS A 11 -7.108 -9.420 6.266 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.912 -11.991 5.790 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.629 -9.693 3.795 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.136 -11.303 3.309 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -8.174 -12.155 4.601 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.694 -10.483 4.677 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.645 -10.936 2.590 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.029 -10.603 1.999 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.502 -12.961 1.870 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.972 -13.398 2.717 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.066 -13.660 0.255 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.295 -12.674 0.888 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.963 -11.972 0.103 1.00 21.93 H new ATOM 190 N THR A 12 -3.656 -11.126 4.585 1.00 9.63 N ATOM 191 CA THR A 12 -2.243 -10.591 4.397 1.00 9.85 C ATOM 192 C THR A 12 -1.951 -10.636 2.892 1.00 11.66 C ATOM 193 O THR A 12 -1.800 -11.729 2.369 1.00 12.33 O ATOM 194 CB THR A 12 -1.177 -11.358 5.136 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.375 -11.221 6.580 1.00 10.91 O ATOM 196 CG2 THR A 12 0.204 -10.769 4.787 1.00 9.63 C ATOM 0 H THR A 12 -3.824 -12.044 4.173 1.00 9.63 H new ATOM 0 HA THR A 12 -2.209 -9.584 4.813 1.00 9.85 H new ATOM 0 HB THR A 12 -1.234 -12.408 4.849 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.154 -12.067 7.022 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.980 -11.320 5.319 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.373 -10.850 3.713 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.237 -9.720 5.082 1.00 9.63 H new ATOM 204 N ILE A 13 -1.917 -9.478 2.247 1.00 10.42 N ATOM 205 CA ILE A 13 -1.613 -9.495 0.841 1.00 11.84 C ATOM 206 C ILE A 13 -0.102 -9.405 0.689 1.00 10.55 C ATOM 207 O ILE A 13 0.537 -8.429 1.003 1.00 11.92 O ATOM 208 CB ILE A 13 -2.228 -8.321 0.106 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.647 -8.208 0.431 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.939 -8.524 -1.439 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.373 -7.117 -0.312 1.00 16.46 C ATOM 0 H ILE A 13 -2.088 -8.561 2.658 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.021 -10.412 0.415 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.787 -7.373 0.413 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.133 -9.160 0.218 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.749 -8.031 1.502 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.369 -7.695 -2.001 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.862 -8.557 -1.607 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.387 -9.460 -1.773 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.420 -7.105 -0.009 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.918 -6.154 -0.081 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.307 -7.301 -1.384 1.00 16.46 H new ATOM 223 N THR A 14 0.511 -10.504 0.156 1.00 9.39 N ATOM 224 CA THR A 14 1.929 -10.557 -0.253 1.00 9.63 C ATOM 225 C THR A 14 2.040 -9.806 -1.672 1.00 11.20 C ATOM 226 O THR A 14 1.128 -9.949 -2.470 1.00 11.63 O ATOM 227 CB THR A 14 2.401 -12.038 -0.480 1.00 10.38 C ATOM 228 OG1 THR A 14 2.154 -12.888 0.576 1.00 16.30 O ATOM 229 CG2 THR A 14 3.906 -12.041 -0.738 1.00 11.66 C ATOM 0 H THR A 14 0.018 -11.384 0.001 1.00 9.39 H new ATOM 0 HA THR A 14 2.542 -10.100 0.524 1.00 9.63 H new ATOM 0 HB THR A 14 1.823 -12.408 -1.327 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.475 -13.787 0.354 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.246 -13.064 -0.897 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.125 -11.444 -1.624 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.423 -11.617 0.122 1.00 11.66 H new ATOM 237 N LEU A 15 3.152 -9.129 -1.993 1.00 8.29 N ATOM 238 CA LEU A 15 3.268 -8.321 -3.152 1.00 9.03 C ATOM 239 C LEU A 15 4.740 -8.386 -3.602 1.00 8.59 C ATOM 240 O LEU A 15 5.640 -8.413 -2.752 1.00 7.79 O ATOM 241 CB LEU A 15 2.960 -6.844 -2.924 1.00 11.08 C ATOM 242 CG LEU A 15 1.478 -6.518 -2.519 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.385 -4.999 -2.208 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.574 -6.899 -3.619 1.00 15.27 C ATOM 0 H LEU A 15 3.998 -9.147 -1.423 1.00 8.29 H new ATOM 0 HA LEU A 15 2.548 -8.702 -3.876 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.623 -6.469 -2.144 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.198 -6.296 -3.836 1.00 11.08 H new ATOM 0 HG LEU A 15 1.180 -7.081 -1.634 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.363 -4.748 -1.924 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.060 -4.753 -1.389 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.666 -4.428 -3.093 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.455 -6.673 -3.339 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.837 -6.339 -4.517 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.670 -7.967 -3.816 1.00 15.27 H new ATOM 256 N GLU A 16 5.023 -8.299 -4.953 1.00 11.04 N ATOM 257 CA GLU A 16 6.386 -8.132 -5.457 1.00 11.50 C ATOM 258 C GLU A 16 6.566 -6.789 -6.059 1.00 10.13 C ATOM 259 O GLU A 16 5.858 -6.399 -6.999 1.00 9.83 O ATOM 260 CB GLU A 16 6.707 -9.299 -6.426 1.00 17.22 C ATOM 261 CG GLU A 16 8.052 -9.060 -7.121 1.00 23.33 C ATOM 262 CD GLU A 16 9.307 -9.035 -6.164 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.532 -10.057 -5.415 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.060 -8.026 -6.180 1.00 28.90 O ATOM 0 H GLU A 16 4.312 -8.344 -5.683 1.00 11.04 H new ATOM 0 HA GLU A 16 7.105 -8.178 -4.639 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.736 -10.240 -5.876 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.916 -9.390 -7.171 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.200 -9.839 -7.868 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.003 -8.111 -7.655 1.00 23.33 H new ATOM 271 N VAL A 17 7.347 -5.888 -5.469 1.00 8.99 N ATOM 272 CA VAL A 17 7.459 -4.476 -5.931 1.00 8.85 C ATOM 273 C VAL A 17 8.941 -4.203 -6.251 1.00 8.04 C ATOM 274 O VAL A 17 9.900 -4.882 -5.990 1.00 8.99 O ATOM 275 CB VAL A 17 7.017 -3.415 -4.934 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.440 -3.438 -4.879 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.564 -3.678 -3.535 1.00 10.54 C ATOM 0 H VAL A 17 7.926 -6.100 -4.657 1.00 8.99 H new ATOM 0 HA VAL A 17 6.787 -4.393 -6.785 1.00 8.85 H new ATOM 0 HB VAL A 17 7.400 -2.448 -5.259 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.090 -2.687 -4.171 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.038 -3.220 -5.868 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.101 -4.424 -4.559 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.222 -2.895 -2.858 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.208 -4.645 -3.181 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.654 -3.682 -3.565 1.00 10.54 H new ATOM 287 N GLU A 18 9.214 -3.052 -6.882 1.00 7.29 N ATOM 288 CA GLU A 18 10.516 -2.524 -6.976 1.00 7.08 C ATOM 289 C GLU A 18 10.556 -1.141 -6.274 1.00 6.45 C ATOM 290 O GLU A 18 9.464 -0.658 -6.034 1.00 5.28 O ATOM 291 CB GLU A 18 10.845 -2.288 -8.529 1.00 10.28 C ATOM 292 CG GLU A 18 10.694 -3.610 -9.331 1.00 12.65 C ATOM 293 CD GLU A 18 10.526 -3.371 -10.798 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.500 -2.963 -11.474 1.00 18.17 O ATOM 295 OE2 GLU A 18 9.440 -3.624 -11.278 1.00 14.33 O ATOM 0 H GLU A 18 8.503 -2.479 -7.337 1.00 7.29 H new ATOM 0 HA GLU A 18 11.230 -3.207 -6.515 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.175 -1.531 -8.937 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.860 -1.906 -8.637 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.572 -4.234 -9.166 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.834 -4.164 -8.955 1.00 12.65 H new ATOM 302 N PRO A 19 11.764 -0.559 -5.916 1.00 7.24 N ATOM 303 CA PRO A 19 11.871 0.883 -5.534 1.00 7.07 C ATOM 304 C PRO A 19 11.018 1.835 -6.313 1.00 6.65 C ATOM 305 O PRO A 19 10.336 2.637 -5.713 1.00 6.37 O ATOM 306 CB PRO A 19 13.388 1.156 -5.631 1.00 7.61 C ATOM 307 CG PRO A 19 14.040 -0.203 -5.389 1.00 8.16 C ATOM 308 CD PRO A 19 13.092 -1.197 -6.099 1.00 7.49 C ATOM 0 HA PRO A 19 11.466 1.063 -4.538 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.657 1.556 -6.608 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.708 1.887 -4.888 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.047 -0.244 -5.805 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.126 -0.422 -4.325 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.344 -1.316 -7.153 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.132 -2.189 -5.648 1.00 7.49 H new ATOM 316 N SER A 20 10.931 1.769 -7.674 1.00 6.80 N ATOM 317 CA SER A 20 10.323 2.864 -8.439 1.00 6.28 C ATOM 318 C SER A 20 8.756 2.770 -8.690 1.00 8.45 C ATOM 319 O SER A 20 8.204 3.559 -9.454 1.00 7.26 O ATOM 320 CB SER A 20 10.874 3.015 -9.827 1.00 8.57 C ATOM 321 OG SER A 20 12.248 3.247 -9.652 1.00 11.13 O ATOM 0 H SER A 20 11.267 0.988 -8.237 1.00 6.80 H new ATOM 0 HA SER A 20 10.564 3.695 -7.777 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.698 2.118 -10.421 1.00 8.57 H new ATOM 0 HB3 SER A 20 10.398 3.843 -10.352 1.00 8.57 H new ATOM 0 HG SER A 20 12.676 3.354 -10.527 1.00 11.13 H new ATOM 327 N ASP A 21 8.032 1.925 -7.954 1.00 7.50 N ATOM 328 CA ASP A 21 6.581 1.858 -8.044 1.00 7.70 C ATOM 329 C ASP A 21 6.044 2.840 -7.035 1.00 7.08 C ATOM 330 O ASP A 21 6.578 2.929 -5.963 1.00 8.11 O ATOM 331 CB ASP A 21 6.132 0.428 -7.660 1.00 11.00 C ATOM 332 CG ASP A 21 6.581 -0.584 -8.693 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.547 -0.215 -9.901 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.966 -1.709 -8.269 1.00 14.36 O ATOM 0 H ASP A 21 8.437 1.272 -7.283 1.00 7.50 H new ATOM 0 HA ASP A 21 6.222 2.090 -9.047 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.544 0.164 -6.686 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.046 0.398 -7.566 1.00 11.00 H new ATOM 339 N THR A 22 4.999 3.631 -7.334 1.00 5.37 N ATOM 340 CA THR A 22 4.409 4.555 -6.344 1.00 6.01 C ATOM 341 C THR A 22 3.535 3.881 -5.393 1.00 8.01 C ATOM 342 O THR A 22 3.169 2.697 -5.557 1.00 8.11 O ATOM 343 CB THR A 22 3.622 5.694 -7.063 1.00 8.92 C ATOM 344 OG1 THR A 22 2.585 5.200 -7.923 1.00 10.22 O ATOM 345 CG2 THR A 22 4.538 6.551 -7.865 1.00 9.65 C ATOM 0 H THR A 22 4.546 3.651 -8.248 1.00 5.37 H new ATOM 0 HA THR A 22 5.241 4.977 -5.780 1.00 6.01 H new ATOM 0 HB THR A 22 3.157 6.279 -6.269 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.124 5.954 -8.346 1.00 10.22 H new ATOM 0 HG21 THR A 22 3.964 7.337 -8.356 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.283 7.001 -7.209 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.039 5.943 -8.618 1.00 9.65 H new ATOM 353 N ILE A 23 3.050 4.625 -4.403 1.00 8.32 N ATOM 354 CA ILE A 23 2.024 4.096 -3.508 1.00 9.92 C ATOM 355 C ILE A 23 0.732 3.850 -4.200 1.00 10.01 C ATOM 356 O ILE A 23 0.062 2.873 -3.904 1.00 8.71 O ATOM 357 CB ILE A 23 1.755 5.145 -2.454 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.060 5.503 -1.639 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.739 4.659 -1.346 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.846 4.317 -1.041 1.00 12.30 C ATOM 0 H ILE A 23 3.344 5.581 -4.201 1.00 8.32 H new ATOM 0 HA ILE A 23 2.390 3.152 -3.104 1.00 9.92 H new ATOM 0 HB ILE A 23 1.362 5.989 -3.020 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.729 6.060 -2.295 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.781 6.172 -0.825 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.586 5.456 -0.618 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.213 4.406 -1.812 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.142 3.780 -0.843 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.719 4.692 -0.506 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.206 3.767 -0.351 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.169 3.653 -1.843 1.00 12.30 H new ATOM 372 N GLU A 24 0.289 4.647 -5.171 1.00 9.54 N ATOM 373 CA GLU A 24 -0.816 4.346 -6.134 1.00 11.81 C ATOM 374 C GLU A 24 -0.644 3.128 -7.021 1.00 11.14 C ATOM 375 O GLU A 24 -1.564 2.351 -7.290 1.00 10.62 O ATOM 376 CB GLU A 24 -0.961 5.563 -6.994 1.00 19.24 C ATOM 377 CG GLU A 24 -1.913 5.437 -8.196 1.00 27.76 C ATOM 378 CD GLU A 24 -2.065 6.673 -9.044 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.049 7.172 -9.620 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.168 7.286 -9.116 1.00 36.51 O ATOM 0 H GLU A 24 0.697 5.568 -5.331 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.693 4.101 -5.535 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.307 6.385 -6.368 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.026 5.839 -7.366 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.560 4.625 -8.831 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.897 5.149 -7.827 1.00 27.76 H new ATOM 387 N ASN A 25 0.555 2.950 -7.567 1.00 9.43 N ATOM 388 CA ASN A 25 0.967 1.721 -8.262 1.00 10.96 C ATOM 389 C ASN A 25 0.779 0.496 -7.405 1.00 9.68 C ATOM 390 O ASN A 25 0.012 -0.404 -7.772 1.00 9.33 O ATOM 391 CB ASN A 25 2.415 1.829 -8.730 1.00 16.78 C ATOM 392 CG ASN A 25 2.653 0.837 -9.886 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.515 -0.357 -9.658 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.029 1.326 -11.096 1.00 24.70 N ATOM 0 H ASN A 25 1.284 3.663 -7.542 1.00 9.43 H new ATOM 0 HA ASN A 25 0.321 1.610 -9.133 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.628 2.846 -9.059 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.093 1.612 -7.904 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.211 0.687 -11.870 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.129 2.332 -11.231 1.00 24.70 H new ATOM 401 N VAL A 26 1.189 0.611 -6.109 1.00 6.52 N ATOM 402 CA VAL A 26 0.976 -0.438 -5.060 1.00 5.53 C ATOM 403 C VAL A 26 -0.524 -0.684 -4.836 1.00 4.42 C ATOM 404 O VAL A 26 -1.028 -1.824 -4.870 1.00 3.40 O ATOM 405 CB VAL A 26 1.651 -0.164 -3.736 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.391 -1.158 -2.598 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.153 -0.100 -4.012 1.00 8.12 C ATOM 0 H VAL A 26 1.678 1.435 -5.759 1.00 6.52 H new ATOM 0 HA VAL A 26 1.456 -1.332 -5.459 1.00 5.53 H new ATOM 0 HB VAL A 26 1.219 0.765 -3.365 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.935 -0.842 -1.708 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.324 -1.189 -2.379 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.729 -2.150 -2.897 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.686 0.097 -3.082 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.487 -1.051 -4.428 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.358 0.699 -4.724 1.00 8.12 H new ATOM 417 N LYS A 27 -1.372 0.318 -4.768 1.00 2.64 N ATOM 418 CA LYS A 27 -2.846 0.147 -4.686 1.00 4.14 C ATOM 419 C LYS A 27 -3.482 -0.731 -5.831 1.00 5.58 C ATOM 420 O LYS A 27 -4.170 -1.645 -5.600 1.00 4.11 O ATOM 421 CB LYS A 27 -3.597 1.518 -4.519 1.00 3.97 C ATOM 422 CG LYS A 27 -3.198 2.177 -3.202 1.00 7.45 C ATOM 423 CD LYS A 27 -3.805 3.612 -3.096 1.00 9.02 C ATOM 424 CE LYS A 27 -3.100 4.371 -1.970 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.835 5.597 -1.590 1.00 15.47 N ATOM 0 H LYS A 27 -1.076 1.294 -4.767 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.995 -0.433 -3.776 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.356 2.178 -5.353 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.675 1.356 -4.542 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.543 1.568 -2.366 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.112 2.230 -3.131 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.684 4.142 -4.041 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.875 3.554 -2.898 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.002 3.722 -1.100 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.091 4.635 -2.286 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.393 6.020 -0.749 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.805 6.278 -2.376 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.824 5.357 -1.378 1.00 15.47 H new ATOM 439 N ALA A 28 -3.114 -0.468 -7.117 1.00 6.61 N ATOM 440 CA ALA A 28 -3.543 -1.230 -8.259 1.00 7.74 C ATOM 441 C ALA A 28 -3.042 -2.671 -8.252 1.00 9.17 C ATOM 442 O ALA A 28 -3.704 -3.549 -8.852 1.00 11.45 O ATOM 443 CB ALA A 28 -3.089 -0.534 -9.486 1.00 7.68 C ATOM 0 H ALA A 28 -2.495 0.305 -7.362 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.631 -1.294 -8.225 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.406 -1.099 -10.363 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.525 0.465 -9.520 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -2.002 -0.455 -9.479 1.00 7.68 H new ATOM 449 N LYS A 29 -1.823 -2.937 -7.697 1.00 8.96 N ATOM 450 CA LYS A 29 -1.298 -4.216 -7.419 1.00 7.90 C ATOM 451 C LYS A 29 -2.114 -4.982 -6.467 1.00 6.92 C ATOM 452 O LYS A 29 -2.457 -6.169 -6.613 1.00 6.87 O ATOM 453 CB LYS A 29 0.125 -4.100 -6.908 1.00 10.28 C ATOM 454 CG LYS A 29 1.132 -3.533 -7.950 1.00 14.94 C ATOM 455 CD LYS A 29 2.573 -3.682 -7.438 1.00 19.69 C ATOM 456 CE LYS A 29 3.650 -2.946 -8.209 1.00 22.63 C ATOM 457 NZ LYS A 29 3.558 -3.235 -9.630 1.00 24.98 N ATOM 0 H LYS A 29 -1.180 -2.190 -7.434 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.311 -4.767 -8.359 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.132 -3.459 -6.027 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.466 -5.085 -6.588 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.020 -4.060 -8.898 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.914 -2.482 -8.141 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.603 -3.342 -6.403 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.824 -4.743 -7.432 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.552 -1.873 -8.045 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.633 -3.237 -7.837 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.511 -3.398 -10.014 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.977 -4.085 -9.774 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.120 -2.429 -10.121 1.00 24.98 H new ATOM 471 N ILE A 30 -2.615 -4.312 -5.415 1.00 4.57 N ATOM 472 CA ILE A 30 -3.650 -4.803 -4.497 1.00 5.58 C ATOM 473 C ILE A 30 -5.005 -5.027 -5.141 1.00 7.26 C ATOM 474 O ILE A 30 -5.592 -6.064 -4.826 1.00 9.46 O ATOM 475 CB ILE A 30 -3.746 -3.955 -3.267 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.393 -3.991 -2.516 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.891 -4.454 -2.351 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.301 -2.917 -1.458 1.00 2.00 C ATOM 0 H ILE A 30 -2.294 -3.374 -5.173 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.317 -5.796 -4.196 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.970 -2.928 -3.554 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.263 -4.969 -2.052 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.579 -3.866 -3.230 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.946 -3.826 -1.462 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.837 -4.403 -2.890 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.697 -5.485 -2.055 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.335 -2.981 -0.958 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.404 -1.937 -1.924 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.098 -3.057 -0.728 1.00 2.00 H new ATOM 490 N GLN A 31 -5.402 -4.191 -6.068 1.00 7.06 N ATOM 491 CA GLN A 31 -6.572 -4.398 -6.966 1.00 8.67 C ATOM 492 C GLN A 31 -6.462 -5.662 -7.905 1.00 10.90 C ATOM 493 O GLN A 31 -7.385 -6.376 -8.004 1.00 9.63 O ATOM 494 CB GLN A 31 -6.937 -3.173 -7.858 1.00 9.12 C ATOM 495 CG GLN A 31 -8.213 -3.389 -8.682 1.00 10.76 C ATOM 496 CD GLN A 31 -8.575 -2.138 -9.491 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.660 -1.593 -9.203 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.770 -1.602 -10.429 1.00 14.76 N ATOM 0 H GLN A 31 -4.921 -3.309 -6.245 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.370 -4.557 -6.241 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.065 -2.295 -7.225 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.107 -2.962 -8.532 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.073 -4.233 -9.357 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.038 -3.646 -8.017 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.885 -2.053 -10.659 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.046 -0.745 -10.909 1.00 14.76 H new ATOM 507 N ASP A 32 -5.327 -5.895 -8.527 1.00 10.93 N ATOM 508 CA ASP A 32 -5.004 -7.086 -9.231 1.00 14.01 C ATOM 509 C ASP A 32 -5.102 -8.348 -8.339 1.00 14.04 C ATOM 510 O ASP A 32 -5.738 -9.321 -8.742 1.00 13.39 O ATOM 511 CB ASP A 32 -3.592 -6.925 -9.944 1.00 18.01 C ATOM 512 CG ASP A 32 -3.343 -7.967 -11.004 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.155 -8.199 -11.909 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.218 -8.600 -11.013 1.00 25.17 O ATOM 0 H ASP A 32 -4.571 -5.210 -8.548 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.751 -7.242 -10.010 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.530 -5.935 -10.395 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.804 -6.983 -9.193 1.00 18.01 H new ATOM 519 N LYS A 33 -4.596 -8.242 -7.091 1.00 14.22 N ATOM 520 CA LYS A 33 -4.708 -9.391 -6.215 1.00 14.00 C ATOM 521 C LYS A 33 -6.147 -9.639 -5.662 1.00 12.37 C ATOM 522 O LYS A 33 -6.712 -10.771 -5.724 1.00 12.17 O ATOM 523 CB LYS A 33 -3.743 -9.183 -5.040 1.00 18.62 C ATOM 524 CG LYS A 33 -2.247 -9.223 -5.418 1.00 24.00 C ATOM 525 CD LYS A 33 -1.635 -10.647 -5.063 1.00 27.61 C ATOM 526 CE LYS A 33 -0.171 -10.867 -5.423 1.00 27.64 C ATOM 527 NZ LYS A 33 0.324 -12.109 -4.837 1.00 30.06 N ATOM 0 H LYS A 33 -4.136 -7.420 -6.700 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.461 -10.273 -6.806 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.960 -8.221 -4.575 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.935 -9.950 -4.290 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.127 -9.021 -6.482 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.707 -8.442 -4.883 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.751 -10.811 -3.992 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.229 -11.409 -5.568 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.059 -10.901 -6.507 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.426 -10.028 -5.067 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.323 -12.240 -5.094 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.236 -12.064 -3.802 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.234 -12.909 -5.197 1.00 30.06 H new ATOM 541 N GLU A 34 -6.743 -8.581 -5.047 1.00 10.11 N ATOM 542 CA GLU A 34 -7.901 -8.823 -4.200 1.00 10.07 C ATOM 543 C GLU A 34 -9.091 -8.015 -4.731 1.00 9.32 C ATOM 544 O GLU A 34 -10.223 -8.123 -4.189 1.00 11.61 O ATOM 545 CB GLU A 34 -7.526 -8.329 -2.740 1.00 14.77 C ATOM 546 CG GLU A 34 -6.535 -9.301 -1.973 1.00 18.75 C ATOM 547 CD GLU A 34 -7.138 -10.642 -1.689 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.164 -10.797 -0.960 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.484 -11.609 -2.105 1.00 25.19 O ATOM 0 H GLU A 34 -6.447 -7.608 -5.126 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.170 -9.879 -4.192 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.072 -7.340 -2.806 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.440 -8.222 -2.156 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.631 -9.433 -2.568 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.234 -8.837 -1.034 1.00 18.75 H new ATOM 556 N GLY A 35 -9.008 -7.140 -5.765 1.00 7.22 N ATOM 557 CA GLY A 35 -10.222 -6.426 -6.212 1.00 6.29 C ATOM 558 C GLY A 35 -10.637 -5.192 -5.457 1.00 6.93 C ATOM 559 O GLY A 35 -11.633 -4.540 -5.884 1.00 7.41 O ATOM 0 H GLY A 35 -8.156 -6.921 -6.281 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.079 -6.146 -7.256 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.053 -7.130 -6.182 1.00 6.29 H new ATOM 563 N ILE A 36 -10.023 -4.659 -4.399 1.00 5.86 N ATOM 564 CA ILE A 36 -10.334 -3.433 -3.747 1.00 6.07 C ATOM 565 C ILE A 36 -10.083 -2.208 -4.650 1.00 6.36 C ATOM 566 O ILE A 36 -8.923 -2.091 -5.095 1.00 6.18 O ATOM 567 CB ILE A 36 -9.680 -3.248 -2.368 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.728 -4.572 -1.555 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.497 -2.202 -1.631 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.052 -4.532 -0.176 1.00 9.49 C ATOM 0 H ILE A 36 -9.234 -5.131 -3.957 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.404 -3.503 -3.552 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.638 -2.951 -2.485 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.772 -4.856 -1.420 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.258 -5.358 -2.147 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.069 -2.036 -0.642 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.485 -1.268 -2.193 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.525 -2.550 -1.528 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.145 -5.507 0.303 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.997 -4.285 -0.295 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.534 -3.776 0.444 1.00 9.49 H new ATOM 582 N PRO A 37 -10.956 -1.216 -4.841 1.00 8.65 N ATOM 583 CA PRO A 37 -10.704 -0.109 -5.831 1.00 9.18 C ATOM 584 C PRO A 37 -9.575 0.885 -5.410 1.00 9.85 C ATOM 585 O PRO A 37 -9.720 1.260 -4.273 1.00 8.51 O ATOM 586 CB PRO A 37 -12.093 0.564 -5.919 1.00 11.42 C ATOM 587 CG PRO A 37 -13.114 -0.489 -5.474 1.00 9.27 C ATOM 588 CD PRO A 37 -12.365 -1.260 -4.383 1.00 8.33 C ATOM 0 HA PRO A 37 -10.328 -0.478 -6.785 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.139 1.445 -5.278 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.299 0.899 -6.936 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.025 -0.030 -5.090 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.408 -1.139 -6.298 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.485 -0.793 -3.406 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.727 -2.284 -4.293 1.00 8.33 H new ATOM 596 N PRO A 38 -8.518 1.294 -6.178 1.00 8.71 N ATOM 597 CA PRO A 38 -7.446 2.187 -5.702 1.00 9.08 C ATOM 598 C PRO A 38 -7.866 3.478 -5.069 1.00 9.28 C ATOM 599 O PRO A 38 -7.136 4.046 -4.249 1.00 6.50 O ATOM 600 CB PRO A 38 -6.442 2.318 -6.883 1.00 10.31 C ATOM 601 CG PRO A 38 -6.703 1.072 -7.748 1.00 10.81 C ATOM 602 CD PRO A 38 -8.182 0.668 -7.522 1.00 12.00 C ATOM 0 HA PRO A 38 -6.968 1.738 -4.831 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.610 3.235 -7.447 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.412 2.346 -6.528 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.518 1.287 -8.800 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.033 0.259 -7.466 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.827 1.047 -8.314 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.304 -0.415 -7.502 1.00 12.00 H new ATOM 610 N ASP A 39 -9.057 4.028 -5.383 1.00 11.20 N ATOM 611 CA ASP A 39 -9.661 5.235 -4.917 1.00 14.96 C ATOM 612 C ASP A 39 -10.590 5.036 -3.674 1.00 13.99 C ATOM 613 O ASP A 39 -11.207 5.936 -3.017 1.00 13.75 O ATOM 614 CB ASP A 39 -10.369 6.093 -5.943 1.00 24.16 C ATOM 615 CG ASP A 39 -9.497 6.320 -7.127 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.446 7.002 -7.005 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.932 5.888 -8.264 1.00 35.55 O ATOM 0 H ASP A 39 -9.669 3.559 -6.051 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.774 5.798 -4.626 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.295 5.608 -6.254 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.644 7.049 -5.498 1.00 24.16 H new ATOM 622 N GLN A 40 -10.546 3.809 -3.158 1.00 11.60 N ATOM 623 CA GLN A 40 -11.138 3.437 -1.868 1.00 10.76 C ATOM 624 C GLN A 40 -10.029 2.944 -0.891 1.00 8.01 C ATOM 625 O GLN A 40 -10.240 2.528 0.235 1.00 8.96 O ATOM 626 CB GLN A 40 -12.190 2.269 -2.191 1.00 11.14 C ATOM 627 CG GLN A 40 -13.210 2.100 -1.018 1.00 14.85 C ATOM 628 CD GLN A 40 -14.393 1.235 -1.493 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.635 0.125 -1.003 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.308 1.801 -2.375 1.00 18.16 N ATOM 0 H GLN A 40 -10.090 3.029 -3.631 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.629 4.281 -1.384 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.724 2.499 -3.113 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.660 1.331 -2.356 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.723 1.632 -0.162 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.567 3.075 -0.688 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.121 2.716 -2.786 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.166 1.301 -2.610 1.00 18.16 H new ATOM 639 N GLN A 41 -8.700 3.038 -1.263 1.00 6.52 N ATOM 640 CA GLN A 41 -7.596 2.577 -0.493 1.00 3.87 C ATOM 641 C GLN A 41 -6.718 3.723 -0.030 1.00 4.79 C ATOM 642 O GLN A 41 -6.342 4.701 -0.684 1.00 6.34 O ATOM 643 CB GLN A 41 -6.720 1.600 -1.363 1.00 4.20 C ATOM 644 CG GLN A 41 -7.343 0.252 -1.738 1.00 3.20 C ATOM 645 CD GLN A 41 -6.258 -0.541 -2.505 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.050 -0.413 -2.172 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.610 -1.336 -3.484 1.00 7.13 N ATOM 0 H GLN A 41 -8.414 3.460 -2.147 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.996 2.066 0.383 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.451 2.116 -2.284 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.793 1.406 -0.824 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.660 -0.289 -0.847 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.229 0.394 -2.357 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.593 -1.426 -3.739 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.901 -1.865 -3.992 1.00 7.13 H new ATOM 656 N ARG A 42 -6.344 3.624 1.287 1.00 5.73 N ATOM 657 CA ARG A 42 -5.250 4.359 1.844 1.00 6.97 C ATOM 658 C ARG A 42 -4.200 3.334 2.275 1.00 7.15 C ATOM 659 O ARG A 42 -4.484 2.198 2.759 1.00 7.33 O ATOM 660 CB ARG A 42 -5.508 5.296 3.024 1.00 13.23 C ATOM 661 CG ARG A 42 -5.730 6.760 2.500 1.00 21.27 C ATOM 662 CD ARG A 42 -5.446 7.766 3.586 1.00 26.14 C ATOM 663 NE ARG A 42 -5.415 9.123 2.951 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.494 9.923 2.782 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.744 9.459 2.938 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.289 11.195 2.488 1.00 36.39 N ATOM 0 H ARG A 42 -6.819 3.021 1.959 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.954 5.043 1.048 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.384 4.962 3.581 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.663 5.270 3.713 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.080 6.948 1.645 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.756 6.875 2.151 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.214 7.722 4.358 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.494 7.548 4.070 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.514 9.470 2.622 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.898 8.483 3.190 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.540 10.083 2.805 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.337 11.550 2.394 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.082 11.822 2.355 1.00 36.39 H new ATOM 680 N LEU A 43 -2.912 3.648 2.193 1.00 4.65 N ATOM 681 CA LEU A 43 -1.789 2.911 2.656 1.00 3.51 C ATOM 682 C LEU A 43 -1.017 3.601 3.794 1.00 5.56 C ATOM 683 O LEU A 43 -0.947 4.839 3.851 1.00 4.19 O ATOM 684 CB LEU A 43 -0.899 2.504 1.462 1.00 3.74 C ATOM 685 CG LEU A 43 -1.501 1.490 0.530 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.562 1.119 -0.642 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.933 0.305 1.298 1.00 6.41 C ATOM 0 H LEU A 43 -2.621 4.520 1.751 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.162 1.999 3.122 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.655 3.399 0.890 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.040 2.106 1.848 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.376 1.940 0.062 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.051 0.383 -1.281 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.336 2.012 -1.224 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.364 0.699 -0.248 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.369 -0.429 0.620 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.073 -0.134 1.804 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.676 0.602 2.038 1.00 6.41 H new ATOM 699 N ILE A 44 -0.472 2.760 4.736 1.00 4.58 N ATOM 700 CA ILE A 44 0.152 3.102 5.995 1.00 5.55 C ATOM 701 C ILE A 44 1.367 2.308 6.145 1.00 5.46 C ATOM 702 O ILE A 44 1.450 1.135 5.755 1.00 6.04 O ATOM 703 CB ILE A 44 -0.828 2.853 7.184 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.121 3.641 6.897 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.110 3.177 8.486 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.204 3.634 7.956 1.00 13.90 C ATOM 0 H ILE A 44 -0.475 1.751 4.590 1.00 4.58 H new ATOM 0 HA ILE A 44 0.407 4.162 6.002 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.135 1.813 7.293 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.845 4.678 6.707 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.552 3.252 5.975 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.784 3.007 9.325 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.765 2.536 8.588 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.204 4.221 8.478 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.051 4.229 7.614 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.530 2.610 8.137 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.812 4.058 8.880 1.00 13.90 H new ATOM 718 N PHE A 45 2.435 3.025 6.654 1.00 6.75 N ATOM 719 CA PHE A 45 3.587 2.262 7.092 1.00 4.70 C ATOM 720 C PHE A 45 4.116 2.922 8.330 1.00 6.34 C ATOM 721 O PHE A 45 4.129 4.171 8.443 1.00 5.45 O ATOM 722 CB PHE A 45 4.628 2.189 5.925 1.00 5.51 C ATOM 723 CG PHE A 45 5.855 1.374 6.221 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.806 0.000 6.369 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.017 2.075 6.433 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.986 -0.658 6.696 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.249 1.365 6.512 1.00 6.64 C ATOM 728 CZ PHE A 45 8.201 0.074 6.818 1.00 6.84 C ATOM 0 H PHE A 45 2.492 4.039 6.752 1.00 6.75 H new ATOM 0 HA PHE A 45 3.337 1.231 7.341 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.137 1.773 5.045 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.936 3.203 5.669 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.882 -0.543 6.235 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.997 3.150 6.538 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.981 -1.726 6.858 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.191 1.860 6.329 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.094 -0.426 7.163 1.00 6.84 H new ATOM 738 N ALA A 46 4.428 2.173 9.394 1.00 6.53 N ATOM 739 CA ALA A 46 4.890 2.574 10.725 1.00 7.15 C ATOM 740 C ALA A 46 3.998 3.473 11.503 1.00 9.00 C ATOM 741 O ALA A 46 4.384 4.350 12.316 1.00 11.15 O ATOM 742 CB ALA A 46 6.244 3.166 10.659 1.00 8.99 C ATOM 0 H ALA A 46 4.354 1.157 9.334 1.00 6.53 H new ATOM 0 HA ALA A 46 4.890 1.634 11.277 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.564 3.455 11.660 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.942 2.434 10.253 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.226 4.046 10.016 1.00 8.99 H new ATOM 748 N GLY A 47 2.633 3.177 11.330 1.00 9.35 N ATOM 749 CA GLY A 47 1.539 4.012 11.866 1.00 11.68 C ATOM 750 C GLY A 47 1.283 5.346 11.206 1.00 11.14 C ATOM 751 O GLY A 47 0.487 6.177 11.652 1.00 13.93 O ATOM 0 H GLY A 47 2.305 2.358 10.818 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.618 3.431 11.815 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.743 4.194 12.921 1.00 11.68 H new ATOM 755 N LYS A 48 2.026 5.616 10.099 1.00 10.47 N ATOM 756 CA LYS A 48 1.939 6.869 9.361 1.00 8.82 C ATOM 757 C LYS A 48 1.427 6.650 7.980 1.00 7.68 C ATOM 758 O LYS A 48 1.699 5.687 7.282 1.00 6.47 O ATOM 759 CB LYS A 48 3.301 7.585 9.264 1.00 9.74 C ATOM 760 CG LYS A 48 3.932 8.109 10.574 1.00 14.14 C ATOM 761 CD LYS A 48 5.184 8.933 10.337 1.00 16.32 C ATOM 762 CE LYS A 48 6.334 8.027 9.814 1.00 20.04 C ATOM 763 NZ LYS A 48 7.662 8.601 9.982 1.00 23.92 N ATOM 0 H LYS A 48 2.699 4.957 9.707 1.00 10.47 H new ATOM 0 HA LYS A 48 1.246 7.497 9.921 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.009 6.897 8.802 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.188 8.430 8.585 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.200 8.715 11.107 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.176 7.264 11.218 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.977 9.723 9.615 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.488 9.420 11.264 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.294 7.070 10.334 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.169 7.822 8.756 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.375 7.941 9.611 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.720 9.500 9.463 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.841 8.772 10.992 1.00 23.92 H new ATOM 777 N GLN A 49 0.566 7.601 7.533 1.00 8.89 N ATOM 778 CA GLN A 49 0.042 7.562 6.150 1.00 7.18 C ATOM 779 C GLN A 49 1.049 7.921 5.014 1.00 8.23 C ATOM 780 O GLN A 49 2.071 8.550 5.181 1.00 9.70 O ATOM 781 CB GLN A 49 -1.294 8.312 6.062 1.00 11.67 C ATOM 782 CG GLN A 49 -2.450 7.828 7.050 1.00 15.82 C ATOM 783 CD GLN A 49 -3.756 8.587 6.905 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.804 7.891 6.821 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.705 9.886 6.763 1.00 20.67 N ATOM 0 H GLN A 49 0.230 8.383 8.095 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.141 6.508 5.939 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.105 9.369 6.250 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.663 8.232 5.040 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.638 6.768 6.878 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.099 7.927 8.077 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.813 10.374 6.847 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.557 10.412 6.569 1.00 20.67 H new ATOM 794 N LEU A 50 0.696 7.506 3.815 1.00 6.51 N ATOM 795 CA LEU A 50 1.497 7.613 2.564 1.00 7.41 C ATOM 796 C LEU A 50 0.623 8.224 1.529 1.00 8.27 C ATOM 797 O LEU A 50 -0.629 8.118 1.582 1.00 8.34 O ATOM 798 CB LEU A 50 1.966 6.228 2.093 1.00 7.13 C ATOM 799 CG LEU A 50 2.738 5.339 3.199 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.116 3.952 2.667 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.013 6.046 3.665 1.00 9.11 C ATOM 0 H LEU A 50 -0.205 7.056 3.654 1.00 6.51 H new ATOM 0 HA LEU A 50 2.384 8.221 2.740 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.097 5.669 1.745 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.625 6.360 1.235 1.00 7.13 H new ATOM 0 HG LEU A 50 2.048 5.216 4.033 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.633 3.392 3.446 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.213 3.417 2.373 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.771 4.060 1.803 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.519 5.431 4.410 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.675 6.202 2.813 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.755 7.009 4.105 1.00 9.11 H new ATOM 813 N GLU A 51 1.240 8.969 0.572 1.00 9.43 N ATOM 814 CA GLU A 51 0.523 9.698 -0.464 1.00 11.90 C ATOM 815 C GLU A 51 0.738 9.077 -1.861 1.00 11.49 C ATOM 816 O GLU A 51 1.764 8.409 -2.023 1.00 9.88 O ATOM 817 CB GLU A 51 1.076 11.166 -0.541 1.00 16.56 C ATOM 818 CG GLU A 51 0.942 11.886 0.829 1.00 26.06 C ATOM 819 CD GLU A 51 1.535 13.359 0.713 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.210 14.112 -0.188 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.374 13.737 1.579 1.00 32.13 O ATOM 0 H GLU A 51 2.253 9.069 0.513 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.535 9.664 -0.204 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.123 11.148 -0.845 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.532 11.724 -1.303 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.105 11.926 1.130 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.474 11.328 1.599 1.00 26.06 H new ATOM 828 N ASP A 52 -0.246 9.225 -2.701 1.00 12.71 N ATOM 829 CA ASP A 52 -0.388 8.376 -3.871 1.00 16.56 C ATOM 830 C ASP A 52 0.683 8.566 -4.984 1.00 15.83 C ATOM 831 O ASP A 52 1.142 7.631 -5.600 1.00 17.21 O ATOM 832 CB ASP A 52 -1.735 8.801 -4.561 1.00 21.05 C ATOM 833 CG ASP A 52 -2.865 8.551 -3.540 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.225 9.433 -2.675 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.455 7.441 -3.567 1.00 25.82 O ATOM 0 H ASP A 52 -0.975 9.932 -2.604 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.314 7.352 -3.506 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.704 9.851 -4.852 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.902 8.223 -5.470 1.00 21.05 H new ATOM 840 N GLY A 53 1.121 9.799 -5.258 1.00 15.00 N ATOM 841 CA GLY A 53 2.138 10.032 -6.323 1.00 11.77 C ATOM 842 C GLY A 53 3.616 9.917 -5.857 1.00 11.10 C ATOM 843 O GLY A 53 4.566 10.133 -6.596 1.00 11.25 O ATOM 0 H GLY A 53 0.805 10.642 -4.778 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.970 9.316 -7.128 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.981 11.026 -6.743 1.00 11.77 H new ATOM 847 N ARG A 54 3.829 9.475 -4.605 1.00 8.53 N ATOM 848 CA ARG A 54 5.200 9.246 -3.986 1.00 9.05 C ATOM 849 C ARG A 54 5.689 7.785 -4.210 1.00 8.96 C ATOM 850 O ARG A 54 4.885 6.862 -4.291 1.00 11.60 O ATOM 851 CB ARG A 54 4.989 9.580 -2.453 1.00 7.97 C ATOM 852 CG ARG A 54 4.789 11.023 -2.090 1.00 9.62 C ATOM 853 CD ARG A 54 6.167 11.739 -2.332 1.00 12.20 C ATOM 854 NE ARG A 54 5.901 13.192 -2.000 1.00 18.23 N ATOM 855 CZ ARG A 54 6.544 13.860 -1.115 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.728 13.461 -0.595 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.114 15.044 -0.638 1.00 23.38 N ATOM 0 H ARG A 54 3.064 9.257 -3.967 1.00 8.53 H new ATOM 0 HA ARG A 54 5.975 9.867 -4.435 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.123 9.019 -2.100 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.854 9.209 -1.904 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.006 11.472 -2.701 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.478 11.122 -1.050 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.948 11.323 -1.696 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.500 11.622 -3.363 1.00 12.20 H new ATOM 0 HE ARG A 54 5.162 13.671 -2.514 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.153 12.587 -0.906 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.195 14.034 0.108 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.242 15.446 -0.981 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.661 15.539 0.067 1.00 23.38 H new ATOM 871 N THR A 55 6.993 7.562 -4.353 1.00 9.05 N ATOM 872 CA THR A 55 7.518 6.216 -4.511 1.00 9.03 C ATOM 873 C THR A 55 7.912 5.508 -3.183 1.00 8.15 C ATOM 874 O THR A 55 8.257 6.141 -2.186 1.00 5.91 O ATOM 875 CB THR A 55 8.673 6.030 -5.470 1.00 11.15 C ATOM 876 OG1 THR A 55 9.657 6.993 -5.228 1.00 11.95 O ATOM 877 CG2 THR A 55 8.263 6.219 -6.966 1.00 11.71 C ATOM 0 H THR A 55 7.701 8.296 -4.362 1.00 9.05 H new ATOM 0 HA THR A 55 6.638 5.749 -4.952 1.00 9.03 H new ATOM 0 HB THR A 55 9.025 5.011 -5.306 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.500 6.549 -4.999 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.135 6.073 -7.603 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.496 5.490 -7.228 1.00 11.71 H new ATOM 0 HG23 THR A 55 7.872 7.226 -7.112 1.00 11.71 H new ATOM 885 N LEU A 56 7.922 4.184 -3.144 1.00 6.91 N ATOM 886 CA LEU A 56 8.656 3.318 -2.197 1.00 8.29 C ATOM 887 C LEU A 56 10.053 3.808 -1.880 1.00 8.05 C ATOM 888 O LEU A 56 10.446 3.856 -0.711 1.00 10.17 O ATOM 889 CB LEU A 56 8.466 1.926 -2.702 1.00 6.60 C ATOM 890 CG LEU A 56 6.984 1.431 -2.824 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.957 0.257 -3.881 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.364 0.993 -1.485 1.00 8.64 C ATOM 0 H LEU A 56 7.384 3.636 -3.815 1.00 6.91 H new ATOM 0 HA LEU A 56 8.261 3.348 -1.181 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.934 1.851 -3.683 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.001 1.245 -2.040 1.00 6.60 H new ATOM 0 HG LEU A 56 6.366 2.267 -3.152 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.937 -0.111 -3.990 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.315 0.625 -4.843 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.601 -0.554 -3.541 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.338 0.664 -1.650 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.946 0.172 -1.066 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.368 1.833 -0.790 1.00 8.64 H new ATOM 904 N SER A 57 10.732 4.368 -2.883 1.00 8.92 N ATOM 905 CA SER A 57 12.124 4.933 -2.690 1.00 9.00 C ATOM 906 C SER A 57 12.158 6.266 -1.938 1.00 9.44 C ATOM 907 O SER A 57 13.136 6.701 -1.250 1.00 10.91 O ATOM 908 CB SER A 57 12.790 5.136 -4.134 1.00 10.32 C ATOM 909 OG SER A 57 12.145 6.019 -5.000 1.00 13.59 O ATOM 0 H SER A 57 10.372 4.455 -3.833 1.00 8.92 H new ATOM 0 HA SER A 57 12.674 4.220 -2.076 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.813 5.485 -3.992 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.850 4.163 -4.622 1.00 10.32 H new ATOM 0 HG SER A 57 12.637 6.065 -5.846 1.00 13.59 H new ATOM 915 N ASP A 58 11.068 7.018 -1.984 1.00 9.11 N ATOM 916 CA ASP A 58 11.008 8.221 -1.198 1.00 7.91 C ATOM 917 C ASP A 58 10.933 7.946 0.263 1.00 9.12 C ATOM 918 O ASP A 58 11.548 8.563 1.133 1.00 8.61 O ATOM 919 CB ASP A 58 9.759 9.035 -1.729 1.00 8.41 C ATOM 920 CG ASP A 58 9.871 10.525 -1.538 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.899 10.960 -2.100 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.030 11.179 -0.854 1.00 11.70 O ATOM 0 H ASP A 58 10.239 6.817 -2.544 1.00 9.11 H new ATOM 0 HA ASP A 58 11.923 8.802 -1.312 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.626 8.824 -2.790 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.864 8.680 -1.219 1.00 8.41 H new ATOM 927 N TYR A 59 10.119 6.957 0.675 1.00 7.97 N ATOM 928 CA TYR A 59 9.886 6.563 1.966 1.00 8.45 C ATOM 929 C TYR A 59 10.910 5.530 2.436 1.00 10.98 C ATOM 930 O TYR A 59 10.875 5.089 3.640 1.00 12.95 O ATOM 931 CB TYR A 59 8.417 5.957 2.040 1.00 7.94 C ATOM 932 CG TYR A 59 7.365 6.969 1.646 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.037 7.965 2.526 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.602 6.829 0.450 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.962 8.807 2.303 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.418 7.565 0.347 1.00 6.52 C ATOM 937 CZ TYR A 59 5.133 8.603 1.219 1.00 6.76 C ATOM 938 OH TYR A 59 4.103 9.419 0.924 1.00 7.63 O ATOM 0 H TYR A 59 9.587 6.399 0.007 1.00 7.97 H new ATOM 0 HA TYR A 59 9.980 7.425 2.626 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.349 5.090 1.383 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.221 5.606 3.053 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.633 8.097 3.417 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.927 6.178 -0.348 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.771 9.627 2.980 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.709 7.319 -0.430 1.00 6.52 H new ATOM 0 HH TYR A 59 4.309 10.328 1.226 1.00 7.63 H new ATOM 948 N ASN A 60 11.867 4.998 1.543 1.00 12.38 N ATOM 949 CA ASN A 60 12.931 4.027 1.830 1.00 13.94 C ATOM 950 C ASN A 60 12.474 2.614 2.276 1.00 14.16 C ATOM 951 O ASN A 60 13.111 1.864 3.045 1.00 14.26 O ATOM 952 CB ASN A 60 13.959 4.529 2.820 1.00 19.23 C ATOM 953 CG ASN A 60 14.597 5.855 2.409 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.296 6.986 2.727 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.831 5.678 1.858 1.00 24.09 N ATOM 0 H ASN A 60 11.877 5.281 0.563 1.00 12.38 H new ATOM 0 HA ASN A 60 13.380 3.919 0.843 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.486 4.648 3.795 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.740 3.778 2.934 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.452 6.477 1.731 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.133 4.746 1.573 1.00 24.09 H new ATOM 962 N ILE A 61 11.289 2.281 1.823 1.00 11.08 N ATOM 963 CA ILE A 61 10.573 1.006 2.137 1.00 11.78 C ATOM 964 C ILE A 61 11.242 -0.139 1.435 1.00 13.74 C ATOM 965 O ILE A 61 11.247 -0.144 0.234 1.00 14.60 O ATOM 966 CB ILE A 61 9.055 1.006 1.869 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.531 2.057 2.853 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.469 -0.368 2.192 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.004 2.311 2.747 1.00 11.42 C ATOM 0 H ILE A 61 10.755 2.890 1.203 1.00 11.08 H new ATOM 0 HA ILE A 61 10.649 0.892 3.218 1.00 11.78 H new ATOM 0 HB ILE A 61 8.793 1.221 0.833 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.767 1.739 3.869 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.058 2.996 2.682 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.396 -0.360 2.000 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.944 -1.123 1.565 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.648 -0.602 3.241 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.709 3.067 3.475 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.762 2.660 1.743 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.466 1.385 2.948 1.00 11.42 H new ATOM 981 N GLN A 62 11.829 -1.080 2.207 1.00 13.97 N ATOM 982 CA GLN A 62 12.572 -2.260 1.690 1.00 15.52 C ATOM 983 C GLN A 62 11.895 -3.603 2.011 1.00 13.94 C ATOM 984 O GLN A 62 10.915 -3.638 2.842 1.00 12.15 O ATOM 985 CB GLN A 62 14.007 -2.356 2.243 1.00 19.53 C ATOM 986 CG GLN A 62 14.854 -1.135 1.974 1.00 26.38 C ATOM 987 CD GLN A 62 16.220 -1.316 2.642 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.128 -1.894 2.098 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.276 -0.805 3.929 1.00 32.71 N ATOM 0 H GLN A 62 11.802 -1.044 3.226 1.00 13.97 H new ATOM 0 HA GLN A 62 12.582 -2.093 0.613 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.960 -2.522 3.319 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.496 -3.227 1.807 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.976 -0.991 0.900 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.361 -0.243 2.361 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.466 -0.327 4.324 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.127 -0.907 4.482 1.00 32.71 H new ATOM 998 N LYS A 63 12.414 -4.757 1.470 1.00 11.73 N ATOM 999 CA LYS A 63 12.098 -6.169 1.780 1.00 11.97 C ATOM 1000 C LYS A 63 11.591 -6.621 3.179 1.00 10.41 C ATOM 1001 O LYS A 63 12.006 -6.167 4.249 1.00 9.59 O ATOM 1002 CB LYS A 63 13.154 -7.080 1.223 1.00 13.73 C ATOM 1003 CG LYS A 63 14.457 -7.078 2.047 1.00 16.98 C ATOM 1004 CD LYS A 63 15.280 -8.368 1.826 1.00 20.19 C ATOM 1005 CE LYS A 63 16.545 -8.421 2.626 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.546 -7.371 2.219 1.00 25.97 N ATOM 0 H LYS A 63 13.127 -4.700 0.742 1.00 11.73 H new ATOM 0 HA LYS A 63 11.142 -6.261 1.264 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.761 -8.096 1.179 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.379 -6.781 0.199 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.059 -6.212 1.773 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.217 -6.977 3.105 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.663 -9.230 2.081 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.526 -8.454 0.768 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.306 -8.296 3.682 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.996 -9.407 2.516 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.406 -7.469 2.796 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.787 -7.492 1.215 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.137 -6.426 2.365 1.00 25.97 H new ATOM 1020 N GLU A 64 10.565 -7.465 3.137 1.00 10.04 N ATOM 1021 CA GLU A 64 9.848 -8.100 4.193 1.00 10.94 C ATOM 1022 C GLU A 64 9.050 -7.130 5.097 1.00 9.74 C ATOM 1023 O GLU A 64 8.567 -7.452 6.166 1.00 9.42 O ATOM 1024 CB GLU A 64 10.759 -9.008 5.109 1.00 18.31 C ATOM 1025 CG GLU A 64 11.315 -10.259 4.306 1.00 24.16 C ATOM 1026 CD GLU A 64 12.405 -10.947 4.997 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.299 -10.279 5.563 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.345 -12.216 5.125 1.00 31.72 O ATOM 0 H GLU A 64 10.182 -7.743 2.234 1.00 10.04 H new ATOM 0 HA GLU A 64 9.135 -8.728 3.658 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.592 -8.420 5.494 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.186 -9.351 5.970 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.501 -10.963 4.133 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.664 -9.929 3.328 1.00 24.16 H new ATOM 1035 N SER A 65 8.769 -5.903 4.543 1.00 6.85 N ATOM 1036 CA SER A 65 8.040 -4.892 5.305 1.00 6.90 C ATOM 1037 C SER A 65 6.570 -5.236 5.611 1.00 4.72 C ATOM 1038 O SER A 65 5.787 -5.673 4.765 1.00 3.91 O ATOM 1039 CB SER A 65 8.033 -3.452 4.641 1.00 7.28 C ATOM 1040 OG SER A 65 9.319 -2.882 4.882 1.00 10.56 O ATOM 0 H SER A 65 9.037 -5.620 3.600 1.00 6.85 H new ATOM 0 HA SER A 65 8.614 -4.883 6.231 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.834 -3.520 3.571 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.248 -2.831 5.072 1.00 7.28 H new ATOM 0 HG SER A 65 9.965 -3.250 4.243 1.00 10.56 H new ATOM 1046 N THR A 66 6.151 -4.881 6.807 1.00 4.48 N ATOM 1047 CA THR A 66 4.721 -4.984 7.209 1.00 3.80 C ATOM 1048 C THR A 66 4.148 -3.582 6.874 1.00 4.60 C ATOM 1049 O THR A 66 4.532 -2.633 7.528 1.00 5.33 O ATOM 1050 CB THR A 66 4.522 -5.313 8.710 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.136 -6.535 8.989 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.027 -5.573 8.843 1.00 3.40 C ATOM 0 H THR A 66 6.764 -4.515 7.535 1.00 4.48 H new ATOM 0 HA THR A 66 4.223 -5.803 6.689 1.00 3.80 H new ATOM 0 HB THR A 66 4.912 -4.525 9.354 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.017 -6.752 9.937 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.791 -5.816 9.879 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.475 -4.682 8.544 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.744 -6.408 8.201 1.00 3.40 H new ATOM 1060 N LEU A 67 3.289 -3.542 5.876 1.00 4.17 N ATOM 1061 CA LEU A 67 2.504 -2.399 5.478 1.00 3.85 C ATOM 1062 C LEU A 67 1.079 -2.652 6.031 1.00 3.80 C ATOM 1063 O LEU A 67 0.771 -3.751 6.497 1.00 5.54 O ATOM 1064 CB LEU A 67 2.403 -2.054 3.970 1.00 7.18 C ATOM 1065 CG LEU A 67 3.616 -1.429 3.433 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.895 -2.306 3.571 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.463 -0.772 2.022 1.00 11.66 C ATOM 0 H LEU A 67 3.112 -4.357 5.288 1.00 4.17 H new ATOM 0 HA LEU A 67 3.026 -1.531 5.881 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.194 -2.965 3.410 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.558 -1.383 3.814 1.00 7.18 H new ATOM 0 HG LEU A 67 3.770 -0.581 4.100 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.748 -1.774 3.151 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.081 -2.515 4.624 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.753 -3.244 3.035 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.416 -0.339 1.717 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.160 -1.529 1.299 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.706 0.011 2.065 1.00 11.66 H new ATOM 1079 N HIS A 68 0.257 -1.621 6.104 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.156 -1.636 6.454 1.00 4.17 C ATOM 1081 C HIS A 68 -1.955 -0.968 5.406 1.00 5.32 C ATOM 1082 O HIS A 68 -1.606 0.125 4.948 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.422 -0.954 7.830 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.169 -1.868 8.941 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.144 -2.570 9.575 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.044 -2.285 9.471 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.555 -3.430 10.411 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.221 -3.291 10.371 1.00 16.30 N ATOM 0 H HIS A 68 0.584 -0.676 5.905 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.457 -2.681 6.532 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.786 -0.074 7.930 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.455 -0.607 7.871 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.018 -1.891 9.222 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.080 -4.139 11.033 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.464 -3.827 10.904 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.037 -1.597 4.973 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.027 -1.076 4.119 1.00 3.97 C ATOM 1098 C LEU A 69 -5.312 -0.729 4.961 1.00 5.07 C ATOM 1099 O LEU A 69 -5.728 -1.548 5.785 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.351 -2.019 2.890 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.513 -1.617 1.933 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.100 -2.322 0.594 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.977 -1.981 2.320 1.00 9.96 C ATOM 0 H LEU A 69 -3.236 -2.559 5.247 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.638 -0.161 3.672 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.444 -2.108 2.292 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.573 -3.011 3.283 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.593 -0.530 1.923 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.847 -2.114 -0.172 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.131 -1.944 0.268 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.035 -3.398 0.755 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.657 -1.628 1.545 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.069 -3.063 2.418 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.231 -1.507 3.268 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.908 0.478 4.651 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.162 0.942 5.228 1.00 6.26 C ATOM 1117 C VAL A 70 -8.036 1.550 4.158 1.00 9.22 C ATOM 1118 O VAL A 70 -7.574 1.751 2.997 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.009 1.882 6.396 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.259 1.195 7.592 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.134 3.066 5.985 1.00 8.54 C ATOM 0 H VAL A 70 -5.503 1.137 3.986 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.643 0.055 5.641 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.013 2.185 6.694 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.166 1.901 8.417 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.823 0.323 7.923 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.266 0.883 7.268 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.023 3.747 6.829 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.152 2.704 5.679 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.602 3.593 5.153 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.292 1.779 4.383 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.263 2.301 3.370 1.00 16.06 C ATOM 1133 C LEU A 71 -10.133 3.812 3.268 1.00 18.09 C ATOM 1134 O LEU A 71 -9.635 4.470 4.215 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.703 1.848 3.684 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.009 0.371 3.714 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.472 0.138 4.137 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.515 -0.241 2.351 1.00 19.57 C ATOM 0 H LEU A 71 -9.720 1.615 5.294 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.023 1.879 2.394 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.975 2.261 4.655 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.362 2.307 2.947 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.466 -0.180 4.482 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.680 -0.932 4.155 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.634 0.556 5.131 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.139 0.625 3.425 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.721 -1.311 2.337 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.039 0.240 1.525 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.443 -0.076 2.246 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.635 4.386 2.180 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.590 5.792 1.826 1.00 25.83 C ATOM 1152 C ARG A 72 -12.004 6.196 1.321 1.00 27.74 C ATOM 1153 O ARG A 72 -12.793 5.350 0.877 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.598 6.107 0.652 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.207 7.596 0.466 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.100 7.737 -0.598 1.00 34.05 C ATOM 1157 NE ARG A 72 -7.780 9.181 -0.855 1.00 35.08 N ATOM 1158 CZ ARG A 72 -6.670 9.665 -1.363 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -5.789 8.886 -2.024 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.438 10.937 -1.272 1.00 35.02 N ATOM 0 H ARG A 72 -11.120 3.835 1.472 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.261 6.335 2.712 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.686 5.531 0.810 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.043 5.751 -0.277 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.082 8.173 0.167 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.862 8.008 1.414 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.202 7.216 -0.265 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.419 7.261 -1.525 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.502 9.858 -0.609 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -5.976 7.890 -2.141 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -4.936 9.293 -2.407 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.113 11.547 -0.811 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -5.580 11.328 -1.662 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.331 7.454 1.393 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.577 7.943 1.056 1.00 30.76 C ATOM 1176 C LEU A 73 -13.434 8.793 -0.139 1.00 32.18 C ATOM 1177 O LEU A 73 -12.278 9.016 -0.550 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.195 8.828 2.152 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.576 8.084 3.470 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.104 9.037 4.536 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.467 6.861 3.292 1.00 29.11 C ATOM 0 H LEU A 73 -11.683 8.177 1.707 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.224 7.080 0.899 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.491 9.624 2.394 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.090 9.304 1.751 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.633 7.673 3.830 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.356 8.474 5.435 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.340 9.777 4.774 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.995 9.543 4.163 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.674 6.417 4.266 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.405 7.159 2.823 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.961 6.131 2.660 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.463 9.321 -0.779 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.254 10.208 -1.908 1.00 35.33 C ATOM 1195 C ARG A 74 -13.727 11.589 -1.501 1.00 36.22 C ATOM 1196 O ARG A 74 -13.847 11.948 -0.317 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.529 10.328 -2.783 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.893 9.104 -3.583 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.963 8.879 -4.743 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.554 7.770 -5.488 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.876 7.102 -6.455 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.707 7.488 -6.932 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.421 5.931 -6.900 1.00 41.93 N ATOM 0 H ARG A 74 -15.440 9.153 -0.539 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.472 9.747 -2.511 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.369 10.579 -2.135 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.397 11.163 -3.471 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.876 8.230 -2.932 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.913 9.206 -3.953 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.881 9.772 -5.363 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.957 8.634 -4.402 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.510 7.488 -5.274 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.263 8.333 -6.572 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.248 6.941 -7.660 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.300 5.596 -6.506 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.949 5.392 -7.626 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.119 12.330 -2.401 1.00 36.31 N ATOM 1218 CA GLY A 75 -12.344 13.578 -2.114 1.00 36.07 C ATOM 1219 C GLY A 75 -10.868 13.341 -1.951 1.00 36.16 C ATOM 1220 O GLY A 75 -10.342 12.383 -2.479 1.00 36.26 O ATOM 0 H GLY A 75 -13.134 12.097 -3.394 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -12.503 14.290 -2.924 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -12.733 14.037 -1.205 1.00 36.07 H new ATOM 1224 N GLY A 76 -10.138 14.265 -1.326 1.00 36.05 N ATOM 1225 CA GLY A 76 -8.691 14.278 -1.195 1.00 36.19 C ATOM 1226 C GLY A 76 -8.280 13.835 0.243 1.00 36.20 C ATOM 1227 O GLY A 76 -7.553 12.807 0.365 1.00 0.00 O ATOM 1228 OXT GLY A 76 -8.740 14.515 1.197 1.00 0.00 O ATOM 0 H GLY A 76 -10.572 15.069 -0.873 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -8.245 13.609 -1.931 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -8.308 15.278 -1.399 1.00 36.19 H new TER 1232 GLY A 76