USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 122:sc= 0.692 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.689 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.464 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -148:sc= 1.22 (180deg=0.0762) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.09 (180deg=1.97) USER MOD Single : A 2 GLN : amide:sc= 0.992 K(o=0.99,f=-3.4!) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.1 (180deg=0.462) USER MOD Single : A 14 THR OG1 : rot -71:sc=4.41e-05 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00537 X(o=-0.0054,f=-0.034) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.48 (180deg=0.693) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.07) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.127 (180deg=-0.333) USER MOD Single : A 40 GLN : amide:sc= -0.923 K(o=-0.92,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= 0.564 K(o=0.56,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.387 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0203 (180deg=-0.0295) USER MOD Single : A 65 SER OG : rot 58:sc= 1.49 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.699 -6.969 -4.685 1.00 9.67 N ATOM 2 CA MET A 1 11.609 -7.437 -3.244 1.00 10.38 C ATOM 3 C MET A 1 10.207 -7.690 -2.811 1.00 9.62 C ATOM 4 O MET A 1 9.193 -7.186 -3.329 1.00 9.62 O ATOM 5 CB MET A 1 12.249 -6.338 -2.359 1.00 13.77 C ATOM 6 CG MET A 1 11.504 -4.948 -2.205 1.00 16.29 C ATOM 7 SD MET A 1 12.312 -3.737 -1.141 1.00 17.17 S ATOM 8 CE MET A 1 11.090 -2.416 -1.441 1.00 16.11 C ATOM 0 H1 MET A 1 12.698 -6.905 -4.967 1.00 9.67 H new ATOM 0 H2 MET A 1 11.208 -7.647 -5.302 1.00 9.67 H new ATOM 0 H3 MET A 1 11.253 -6.034 -4.775 1.00 9.67 H new ATOM 0 HA MET A 1 12.135 -8.387 -3.146 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.380 -6.754 -1.360 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.245 -6.136 -2.753 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.384 -4.510 -3.196 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.503 -5.135 -1.816 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.370 -1.526 -0.877 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.065 -2.178 -2.504 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.104 -2.753 -1.121 1.00 16.11 H new ATOM 20 N GLN A 2 9.994 -8.606 -1.773 1.00 9.27 N ATOM 21 CA GLN A 2 8.718 -8.777 -1.129 1.00 9.07 C ATOM 22 C GLN A 2 8.367 -7.669 -0.177 1.00 8.72 C ATOM 23 O GLN A 2 9.215 -7.020 0.442 1.00 8.22 O ATOM 24 CB GLN A 2 8.534 -10.103 -0.395 1.00 14.46 C ATOM 25 CG GLN A 2 8.873 -11.401 -1.138 1.00 17.01 C ATOM 26 CD GLN A 2 8.292 -11.384 -2.526 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.047 -11.289 -2.756 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.202 -11.472 -3.521 1.00 19.49 N ATOM 0 H GLN A 2 10.726 -9.213 -1.403 1.00 9.27 H new ATOM 0 HA GLN A 2 8.038 -8.761 -1.981 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.142 -10.069 0.509 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.493 -10.165 -0.077 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.955 -11.523 -1.192 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.483 -12.255 -0.585 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.195 -11.547 -3.299 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.896 -11.463 -4.494 1.00 19.49 H new ATOM 37 N ILE A 3 7.063 -7.393 -0.064 1.00 5.87 N ATOM 38 CA ILE A 3 6.463 -6.616 0.965 1.00 5.07 C ATOM 39 C ILE A 3 5.137 -7.272 1.330 1.00 4.01 C ATOM 40 O ILE A 3 4.604 -8.039 0.553 1.00 4.61 O ATOM 41 CB ILE A 3 6.262 -5.041 0.757 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.385 -4.732 -0.489 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.651 -4.439 0.534 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.977 -3.250 -0.619 1.00 10.83 C ATOM 0 H ILE A 3 6.381 -7.737 -0.739 1.00 5.87 H new ATOM 0 HA ILE A 3 7.207 -6.625 1.761 1.00 5.07 H new ATOM 0 HB ILE A 3 5.761 -4.623 1.630 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.929 -5.028 -1.386 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.484 -5.344 -0.447 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.562 -3.363 0.387 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.277 -4.636 1.404 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.105 -4.889 -0.349 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.367 -3.118 -1.513 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.404 -2.952 0.259 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.871 -2.632 -0.695 1.00 10.83 H new ATOM 56 N PHE A 4 4.577 -6.980 2.507 1.00 4.55 N ATOM 57 CA PHE A 4 3.386 -7.599 2.932 1.00 4.68 C ATOM 58 C PHE A 4 2.443 -6.495 3.237 1.00 5.30 C ATOM 59 O PHE A 4 2.871 -5.518 3.820 1.00 5.58 O ATOM 60 CB PHE A 4 3.599 -8.344 4.255 1.00 4.83 C ATOM 61 CG PHE A 4 4.662 -9.349 4.133 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.581 -10.350 3.159 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.732 -9.378 5.063 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.669 -11.275 3.004 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.859 -10.145 4.780 1.00 10.61 C ATOM 66 CZ PHE A 4 6.751 -11.132 3.797 1.00 8.90 C ATOM 0 H PHE A 4 4.960 -6.305 3.168 1.00 4.55 H new ATOM 0 HA PHE A 4 3.038 -8.294 2.168 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.856 -7.632 5.039 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.670 -8.828 4.556 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.707 -10.427 2.529 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.673 -8.811 5.981 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.622 -12.066 2.270 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.789 -9.982 5.305 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.576 -11.816 3.665 1.00 8.90 H new ATOM 76 N VAL A 5 1.162 -6.546 2.832 1.00 4.44 N ATOM 77 CA VAL A 5 0.163 -5.599 3.201 1.00 3.87 C ATOM 78 C VAL A 5 -0.970 -6.388 3.906 1.00 4.93 C ATOM 79 O VAL A 5 -1.461 -7.404 3.365 1.00 6.84 O ATOM 80 CB VAL A 5 -0.378 -4.898 1.948 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.288 -3.667 2.348 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.824 -4.403 1.098 1.00 9.13 C ATOM 0 H VAL A 5 0.809 -7.282 2.220 1.00 4.44 H new ATOM 0 HA VAL A 5 0.571 -4.835 3.863 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.983 -5.600 1.375 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.662 -3.183 1.446 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.129 -4.016 2.948 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.701 -2.953 2.926 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.455 -3.902 0.203 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.421 -3.705 1.684 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.440 -5.254 0.809 1.00 9.13 H new ATOM 92 N LYS A 6 -1.426 -5.812 5.041 1.00 6.04 N ATOM 93 CA LYS A 6 -2.263 -6.513 5.944 1.00 6.12 C ATOM 94 C LYS A 6 -3.567 -5.780 6.231 1.00 6.57 C ATOM 95 O LYS A 6 -3.551 -4.588 6.453 1.00 5.76 O ATOM 96 CB LYS A 6 -1.444 -6.880 7.232 1.00 7.45 C ATOM 97 CG LYS A 6 -1.986 -8.030 8.114 1.00 11.12 C ATOM 98 CD LYS A 6 -1.000 -8.461 9.148 1.00 14.54 C ATOM 99 CE LYS A 6 -1.558 -9.501 10.080 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.494 -10.914 9.459 1.00 20.55 N ATOM 0 H LYS A 6 -1.207 -4.857 5.323 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.585 -7.444 5.478 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.431 -7.139 6.925 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.371 -5.986 7.851 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.905 -7.708 8.603 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.242 -8.880 7.482 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.113 -8.858 8.655 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.682 -7.593 9.726 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.000 -9.489 11.016 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.592 -9.256 10.322 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.297 -11.480 9.800 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.538 -10.840 8.423 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.604 -11.375 9.736 1.00 20.55 H new ATOM 114 N THR A 7 -4.701 -6.474 6.109 1.00 7.41 N ATOM 115 CA THR A 7 -5.987 -5.843 6.316 1.00 7.48 C ATOM 116 C THR A 7 -6.347 -5.657 7.796 1.00 8.75 C ATOM 117 O THR A 7 -5.685 -6.149 8.694 1.00 8.58 O ATOM 118 CB THR A 7 -7.176 -6.369 5.599 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.526 -7.656 6.105 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.726 -6.452 4.136 1.00 9.17 C ATOM 0 H THR A 7 -4.745 -7.465 5.870 1.00 7.41 H new ATOM 0 HA THR A 7 -5.777 -4.889 5.833 1.00 7.48 H new ATOM 0 HB THR A 7 -8.060 -5.742 5.721 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.312 -7.993 5.627 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.544 -6.833 3.525 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.443 -5.459 3.786 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.870 -7.123 4.056 1.00 9.17 H new ATOM 128 N LEU A 8 -7.448 -4.898 8.076 1.00 9.84 N ATOM 129 CA LEU A 8 -7.833 -4.519 9.401 1.00 14.15 C ATOM 130 C LEU A 8 -8.162 -5.751 10.269 1.00 17.37 C ATOM 131 O LEU A 8 -7.926 -5.722 11.490 1.00 17.01 O ATOM 132 CB LEU A 8 -9.162 -3.605 9.291 1.00 16.63 C ATOM 133 CG LEU A 8 -9.809 -3.144 10.585 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.008 -2.059 11.341 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.247 -2.702 10.353 1.00 18.59 C ATOM 0 H LEU A 8 -8.077 -4.546 7.354 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.007 -3.982 9.866 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.913 -2.720 8.706 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.907 -4.163 8.723 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.808 -4.016 11.238 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.538 -1.785 12.253 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.022 -2.447 11.597 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.899 -1.179 10.707 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.685 -2.377 11.297 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.264 -1.876 9.642 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.824 -3.536 9.953 1.00 18.59 H new ATOM 147 N THR A 9 -8.677 -6.788 9.647 1.00 18.33 N ATOM 148 CA THR A 9 -9.091 -8.078 10.230 1.00 19.24 C ATOM 149 C THR A 9 -7.955 -9.061 10.088 1.00 19.48 C ATOM 150 O THR A 9 -8.082 -10.180 10.543 1.00 23.14 O ATOM 151 CB THR A 9 -10.380 -8.637 9.612 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.359 -8.802 8.212 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.554 -7.686 9.958 1.00 19.70 C ATOM 0 H THR A 9 -8.836 -6.766 8.640 1.00 18.33 H new ATOM 0 HA THR A 9 -9.320 -7.912 11.283 1.00 19.24 H new ATOM 0 HB THR A 9 -10.493 -9.634 10.037 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.219 -9.163 7.912 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.476 -8.073 9.524 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.662 -7.621 11.041 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.351 -6.695 9.553 1.00 19.70 H new ATOM 161 N GLY A 10 -6.846 -8.675 9.410 1.00 19.43 N ATOM 162 CA GLY A 10 -5.677 -9.418 9.486 1.00 18.74 C ATOM 163 C GLY A 10 -5.263 -10.119 8.276 1.00 17.62 C ATOM 164 O GLY A 10 -4.276 -10.803 8.306 1.00 19.74 O ATOM 0 H GLY A 10 -6.790 -7.846 8.819 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.869 -8.750 9.785 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.793 -10.154 10.282 1.00 18.74 H new ATOM 168 N LYS A 11 -5.908 -9.929 7.132 1.00 13.56 N ATOM 169 CA LYS A 11 -5.640 -10.733 5.966 1.00 11.91 C ATOM 170 C LYS A 11 -4.474 -10.187 5.181 1.00 10.18 C ATOM 171 O LYS A 11 -4.517 -9.115 4.545 1.00 9.10 O ATOM 172 CB LYS A 11 -6.867 -10.835 5.106 1.00 13.43 C ATOM 173 CG LYS A 11 -6.830 -11.924 3.958 1.00 16.69 C ATOM 174 CD LYS A 11 -8.099 -12.032 3.122 1.00 17.92 C ATOM 175 CE LYS A 11 -7.984 -10.871 2.088 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.137 -10.911 1.153 1.00 21.93 N ATOM 0 H LYS A 11 -6.625 -9.216 6.995 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.370 -11.735 6.300 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.720 -11.046 5.751 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.046 -9.862 4.649 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.995 -11.700 3.294 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.627 -12.896 4.408 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.167 -13.000 2.626 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.991 -11.927 3.739 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.958 -9.912 2.606 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.051 -10.959 1.532 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.270 -9.972 0.725 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.953 -11.609 0.405 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.997 -11.179 1.673 1.00 21.93 H new ATOM 190 N THR A 12 -3.392 -10.929 5.221 1.00 9.63 N ATOM 191 CA THR A 12 -2.090 -10.608 4.600 1.00 9.85 C ATOM 192 C THR A 12 -1.939 -11.049 3.185 1.00 11.66 C ATOM 193 O THR A 12 -2.265 -12.201 2.825 1.00 12.33 O ATOM 194 CB THR A 12 -0.857 -11.160 5.317 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.100 -11.208 6.730 1.00 10.91 O ATOM 196 CG2 THR A 12 0.379 -10.249 5.141 1.00 9.63 C ATOM 0 H THR A 12 -3.376 -11.824 5.709 1.00 9.63 H new ATOM 0 HA THR A 12 -2.123 -9.521 4.676 1.00 9.85 H new ATOM 0 HB THR A 12 -0.668 -12.143 4.886 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.309 -11.564 7.186 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.229 -10.683 5.668 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.617 -10.159 4.081 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.164 -9.262 5.550 1.00 9.63 H new ATOM 204 N ILE A 13 -1.461 -10.170 2.296 1.00 10.42 N ATOM 205 CA ILE A 13 -1.151 -10.433 0.932 1.00 11.84 C ATOM 206 C ILE A 13 0.273 -9.947 0.779 1.00 10.55 C ATOM 207 O ILE A 13 0.676 -8.951 1.408 1.00 11.92 O ATOM 208 CB ILE A 13 -2.203 -9.780 -0.049 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.229 -8.198 0.099 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.618 -10.400 0.279 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.143 -7.615 -0.963 1.00 16.46 C ATOM 0 H ILE A 13 -1.277 -9.200 2.552 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.217 -11.487 0.661 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.927 -9.992 -1.082 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.581 -7.919 1.092 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.222 -7.794 -0.008 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.367 -9.967 -0.384 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.585 -11.480 0.133 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.880 -10.181 1.314 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.166 -6.529 -0.867 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.771 -7.885 -1.951 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.150 -8.012 -0.834 1.00 16.46 H new ATOM 223 N THR A 14 0.922 -10.631 -0.152 1.00 9.39 N ATOM 224 CA THR A 14 2.356 -10.486 -0.432 1.00 9.63 C ATOM 225 C THR A 14 2.418 -9.903 -1.858 1.00 11.20 C ATOM 226 O THR A 14 1.750 -10.376 -2.801 1.00 11.63 O ATOM 227 CB THR A 14 3.179 -11.789 -0.392 1.00 10.38 C ATOM 228 OG1 THR A 14 2.896 -12.573 0.748 1.00 16.30 O ATOM 229 CG2 THR A 14 4.710 -11.565 -0.502 1.00 11.66 C ATOM 0 H THR A 14 0.463 -11.318 -0.750 1.00 9.39 H new ATOM 0 HA THR A 14 2.798 -9.864 0.346 1.00 9.63 H new ATOM 0 HB THR A 14 2.862 -12.333 -1.282 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.261 -12.135 1.545 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.222 -12.527 -0.467 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.938 -11.067 -1.444 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.047 -10.944 0.328 1.00 11.66 H new ATOM 237 N LEU A 15 3.205 -8.810 -2.002 1.00 8.29 N ATOM 238 CA LEU A 15 3.410 -8.166 -3.224 1.00 9.03 C ATOM 239 C LEU A 15 4.845 -8.221 -3.551 1.00 8.59 C ATOM 240 O LEU A 15 5.695 -8.111 -2.667 1.00 7.79 O ATOM 241 CB LEU A 15 3.077 -6.672 -3.156 1.00 11.08 C ATOM 242 CG LEU A 15 1.610 -6.328 -2.679 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.394 -4.811 -2.768 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.452 -7.110 -3.301 1.00 15.27 C ATOM 0 H LEU A 15 3.705 -8.379 -1.225 1.00 8.29 H new ATOM 0 HA LEU A 15 2.772 -8.665 -3.954 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.783 -6.190 -2.481 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.232 -6.237 -4.143 1.00 11.08 H new ATOM 0 HG LEU A 15 1.569 -6.677 -1.647 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.383 -4.568 -2.440 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.115 -4.303 -2.128 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.530 -4.484 -3.799 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.490 -6.764 -2.876 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.444 -6.952 -4.379 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.576 -8.172 -3.091 1.00 15.27 H new ATOM 256 N GLU A 16 5.163 -8.318 -4.845 1.00 11.04 N ATOM 257 CA GLU A 16 6.481 -8.197 -5.348 1.00 11.50 C ATOM 258 C GLU A 16 6.659 -6.755 -5.897 1.00 10.13 C ATOM 259 O GLU A 16 6.073 -6.356 -6.913 1.00 9.83 O ATOM 260 CB GLU A 16 6.611 -9.237 -6.477 1.00 17.22 C ATOM 261 CG GLU A 16 7.903 -9.261 -7.340 1.00 23.33 C ATOM 262 CD GLU A 16 9.097 -9.631 -6.470 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.203 -10.832 -6.164 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.961 -8.747 -6.132 1.00 28.90 O ATOM 0 H GLU A 16 4.468 -8.489 -5.572 1.00 11.04 H new ATOM 0 HA GLU A 16 7.242 -8.372 -4.588 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.498 -10.224 -6.029 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.768 -9.095 -7.153 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.796 -9.981 -8.152 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.064 -8.285 -7.798 1.00 23.33 H new ATOM 271 N VAL A 17 7.504 -5.931 -5.227 1.00 8.99 N ATOM 272 CA VAL A 17 7.741 -4.571 -5.540 1.00 8.85 C ATOM 273 C VAL A 17 9.269 -4.267 -5.789 1.00 8.04 C ATOM 274 O VAL A 17 10.130 -5.097 -5.687 1.00 8.99 O ATOM 275 CB VAL A 17 7.224 -3.763 -4.377 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.691 -3.912 -4.188 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.941 -4.072 -3.077 1.00 10.54 C ATOM 0 H VAL A 17 8.045 -6.249 -4.423 1.00 8.99 H new ATOM 0 HA VAL A 17 7.231 -4.313 -6.468 1.00 8.85 H new ATOM 0 HB VAL A 17 7.438 -2.726 -4.635 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.369 -3.311 -3.338 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.179 -3.572 -5.088 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.447 -4.958 -4.005 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.525 -3.459 -2.277 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.811 -5.126 -2.832 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.003 -3.853 -3.186 1.00 10.54 H new ATOM 287 N GLU A 18 9.580 -3.001 -6.003 1.00 7.29 N ATOM 288 CA GLU A 18 10.978 -2.481 -6.104 1.00 7.08 C ATOM 289 C GLU A 18 10.923 -1.137 -5.407 1.00 6.45 C ATOM 290 O GLU A 18 9.851 -0.555 -5.400 1.00 5.28 O ATOM 291 CB GLU A 18 11.276 -2.182 -7.570 1.00 10.28 C ATOM 292 CG GLU A 18 11.659 -3.428 -8.387 1.00 12.65 C ATOM 293 CD GLU A 18 11.499 -3.214 -9.886 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.343 -2.453 -10.472 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.493 -3.664 -10.584 1.00 18.17 O ATOM 0 H GLU A 18 8.873 -2.274 -6.117 1.00 7.29 H new ATOM 0 HA GLU A 18 11.711 -3.176 -5.695 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.401 -1.716 -8.022 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.088 -1.457 -7.627 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.693 -3.697 -8.170 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.039 -4.268 -8.075 1.00 12.65 H new ATOM 302 N PRO A 19 12.022 -0.674 -4.693 1.00 7.24 N ATOM 303 CA PRO A 19 12.117 0.625 -4.058 1.00 7.07 C ATOM 304 C PRO A 19 11.836 1.728 -5.022 1.00 6.65 C ATOM 305 O PRO A 19 11.533 2.808 -4.513 1.00 6.37 O ATOM 306 CB PRO A 19 13.527 0.580 -3.422 1.00 7.61 C ATOM 307 CG PRO A 19 14.349 -0.307 -4.310 1.00 8.16 C ATOM 308 CD PRO A 19 13.307 -1.377 -4.736 1.00 7.49 C ATOM 0 HA PRO A 19 11.370 0.836 -3.293 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.959 1.579 -3.359 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.485 0.186 -2.407 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.755 0.233 -5.166 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.194 -0.747 -3.780 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.517 -1.760 -5.735 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.315 -2.231 -4.059 1.00 7.49 H new ATOM 316 N SER A 20 11.901 1.540 -6.332 1.00 6.80 N ATOM 317 CA SER A 20 11.794 2.505 -7.398 1.00 6.28 C ATOM 318 C SER A 20 10.459 2.544 -8.071 1.00 8.45 C ATOM 319 O SER A 20 10.200 3.264 -9.085 1.00 7.26 O ATOM 320 CB SER A 20 12.899 2.177 -8.369 1.00 8.57 C ATOM 321 OG SER A 20 12.959 0.794 -8.764 1.00 11.13 O ATOM 0 H SER A 20 12.046 0.602 -6.706 1.00 6.80 H new ATOM 0 HA SER A 20 11.893 3.508 -6.984 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.775 2.791 -9.261 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.853 2.455 -7.921 1.00 8.57 H new ATOM 0 HG SER A 20 13.699 0.665 -9.394 1.00 11.13 H new ATOM 327 N ASP A 21 9.513 1.719 -7.523 1.00 7.50 N ATOM 328 CA ASP A 21 8.147 1.725 -7.867 1.00 7.70 C ATOM 329 C ASP A 21 7.403 2.817 -6.999 1.00 7.08 C ATOM 330 O ASP A 21 7.757 3.130 -5.842 1.00 8.11 O ATOM 331 CB ASP A 21 7.533 0.364 -7.633 1.00 11.00 C ATOM 332 CG ASP A 21 7.991 -0.748 -8.639 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.566 -0.466 -9.710 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.776 -1.976 -8.250 1.00 14.36 O ATOM 0 H ASP A 21 9.740 1.026 -6.810 1.00 7.50 H new ATOM 0 HA ASP A 21 8.043 1.964 -8.925 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.777 0.041 -6.621 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.448 0.457 -7.686 1.00 11.00 H new ATOM 339 N THR A 22 6.312 3.386 -7.462 1.00 5.37 N ATOM 340 CA THR A 22 5.461 4.291 -6.770 1.00 6.01 C ATOM 341 C THR A 22 4.401 3.595 -5.945 1.00 8.01 C ATOM 342 O THR A 22 4.103 2.427 -6.060 1.00 8.11 O ATOM 343 CB THR A 22 4.777 5.412 -7.546 1.00 8.92 C ATOM 344 OG1 THR A 22 3.995 4.885 -8.622 1.00 10.22 O ATOM 345 CG2 THR A 22 5.862 6.324 -8.242 1.00 9.65 C ATOM 0 H THR A 22 5.983 3.204 -8.410 1.00 5.37 H new ATOM 0 HA THR A 22 6.213 4.785 -6.155 1.00 6.01 H new ATOM 0 HB THR A 22 4.162 5.961 -6.832 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.564 5.621 -9.105 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.366 7.122 -8.794 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.513 6.758 -7.483 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.456 5.722 -8.929 1.00 9.65 H new ATOM 353 N ILE A 23 3.723 4.361 -5.031 1.00 8.32 N ATOM 354 CA ILE A 23 2.675 3.865 -4.151 1.00 9.92 C ATOM 355 C ILE A 23 1.395 3.552 -4.942 1.00 10.01 C ATOM 356 O ILE A 23 0.588 2.671 -4.599 1.00 8.71 O ATOM 357 CB ILE A 23 2.478 4.919 -3.107 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.675 5.208 -2.202 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.277 4.725 -2.257 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.027 4.112 -1.258 1.00 12.30 C ATOM 0 H ILE A 23 3.913 5.355 -4.903 1.00 8.32 H new ATOM 0 HA ILE A 23 2.949 2.922 -3.678 1.00 9.92 H new ATOM 0 HB ILE A 23 2.335 5.794 -3.740 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.542 5.421 -2.828 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.467 6.110 -1.627 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.212 5.533 -1.529 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.384 4.728 -2.882 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.351 3.771 -1.735 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.888 4.410 -0.659 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.180 3.911 -0.602 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.271 3.211 -1.821 1.00 12.30 H new ATOM 372 N GLU A 24 1.189 4.243 -6.015 1.00 9.54 N ATOM 373 CA GLU A 24 0.241 3.971 -7.107 1.00 11.81 C ATOM 374 C GLU A 24 0.517 2.683 -7.776 1.00 11.14 C ATOM 375 O GLU A 24 -0.401 1.964 -8.014 1.00 10.62 O ATOM 376 CB GLU A 24 0.417 5.137 -8.124 1.00 19.24 C ATOM 377 CG GLU A 24 -0.666 5.120 -9.317 1.00 27.76 C ATOM 378 CD GLU A 24 -0.430 6.269 -10.306 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.570 6.290 -11.062 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.265 7.220 -10.345 1.00 34.80 O ATOM 0 H GLU A 24 1.718 5.098 -6.189 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.774 3.905 -6.716 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.345 6.086 -7.592 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.418 5.087 -8.552 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.613 4.168 -9.845 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.670 5.198 -8.900 1.00 27.76 H new ATOM 387 N ASN A 25 1.695 2.263 -8.112 1.00 9.43 N ATOM 388 CA ASN A 25 2.023 0.972 -8.654 1.00 10.96 C ATOM 389 C ASN A 25 1.659 -0.109 -7.675 1.00 9.68 C ATOM 390 O ASN A 25 1.103 -1.164 -8.020 1.00 9.33 O ATOM 391 CB ASN A 25 3.557 0.948 -8.979 1.00 16.78 C ATOM 392 CG ASN A 25 3.952 -0.228 -9.850 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.742 -1.075 -9.408 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.393 -0.248 -11.061 1.00 24.70 N ATOM 0 H ASN A 25 2.519 2.855 -8.009 1.00 9.43 H new ATOM 0 HA ASN A 25 1.458 0.790 -9.568 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.832 1.875 -9.481 1.00 16.78 H new ATOM 0 HB3 ASN A 25 4.121 0.910 -8.047 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.607 -1.006 -11.709 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.752 0.495 -11.339 1.00 24.70 H new ATOM 401 N VAL A 26 1.930 0.128 -6.364 1.00 6.52 N ATOM 402 CA VAL A 26 1.624 -0.848 -5.345 1.00 5.53 C ATOM 403 C VAL A 26 0.071 -1.063 -5.217 1.00 4.42 C ATOM 404 O VAL A 26 -0.439 -2.161 -5.121 1.00 3.40 O ATOM 405 CB VAL A 26 2.434 -0.476 -4.113 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.988 -1.331 -2.902 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.880 -0.766 -4.505 1.00 8.12 C ATOM 0 H VAL A 26 2.356 0.986 -6.014 1.00 6.52 H new ATOM 0 HA VAL A 26 1.938 -1.864 -5.586 1.00 5.53 H new ATOM 0 HB VAL A 26 2.300 0.563 -3.813 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.575 -1.055 -2.026 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.931 -1.154 -2.701 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.143 -2.387 -3.125 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.539 -0.525 -3.670 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.984 -1.821 -4.756 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.152 -0.159 -5.369 1.00 8.12 H new ATOM 417 N LYS A 27 -0.676 0.049 -5.154 1.00 2.64 N ATOM 418 CA LYS A 27 -2.087 0.107 -5.038 1.00 4.14 C ATOM 419 C LYS A 27 -2.754 -0.577 -6.193 1.00 5.58 C ATOM 420 O LYS A 27 -3.761 -1.253 -6.084 1.00 4.11 O ATOM 421 CB LYS A 27 -2.742 1.453 -4.840 1.00 3.97 C ATOM 422 CG LYS A 27 -2.436 2.132 -3.483 1.00 7.45 C ATOM 423 CD LYS A 27 -3.183 3.451 -3.310 1.00 9.02 C ATOM 424 CE LYS A 27 -3.062 4.094 -1.912 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.829 5.314 -1.908 1.00 15.47 N ATOM 0 H LYS A 27 -0.254 0.977 -5.187 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.241 -0.410 -4.091 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.423 2.118 -5.643 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.821 1.333 -4.935 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.707 1.455 -2.672 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.364 2.312 -3.404 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.814 4.159 -4.052 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.238 3.284 -3.526 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.431 3.411 -1.147 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.018 4.301 -1.678 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.409 5.986 -1.234 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.824 5.730 -2.861 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.808 5.107 -1.626 1.00 15.47 H new ATOM 439 N ALA A 28 -2.230 -0.374 -7.507 1.00 6.61 N ATOM 440 CA ALA A 28 -2.678 -1.118 -8.659 1.00 7.74 C ATOM 441 C ALA A 28 -2.604 -2.634 -8.459 1.00 9.17 C ATOM 442 O ALA A 28 -3.546 -3.323 -8.866 1.00 11.45 O ATOM 443 CB ALA A 28 -1.868 -0.664 -9.881 1.00 7.68 C ATOM 0 H ALA A 28 -1.504 0.311 -7.718 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.735 -0.905 -8.818 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.195 -1.218 -10.761 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.024 0.402 -10.045 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.809 -0.853 -9.706 1.00 7.68 H new ATOM 449 N LYS A 29 -1.493 -3.160 -7.956 1.00 8.96 N ATOM 450 CA LYS A 29 -1.348 -4.544 -7.549 1.00 7.90 C ATOM 451 C LYS A 29 -2.380 -5.032 -6.454 1.00 6.92 C ATOM 452 O LYS A 29 -2.772 -6.221 -6.453 1.00 6.87 O ATOM 453 CB LYS A 29 0.093 -4.794 -6.985 1.00 10.28 C ATOM 454 CG LYS A 29 1.090 -4.794 -8.133 1.00 14.94 C ATOM 455 CD LYS A 29 2.513 -5.127 -7.610 1.00 19.69 C ATOM 456 CE LYS A 29 3.558 -4.404 -8.488 1.00 22.63 C ATOM 457 NZ LYS A 29 3.811 -4.991 -9.818 1.00 24.98 N ATOM 0 H LYS A 29 -0.643 -2.613 -7.818 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.544 -5.116 -8.456 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.353 -4.020 -6.263 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.129 -5.747 -6.457 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.791 -5.525 -8.884 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.093 -3.819 -8.621 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.614 -4.814 -6.571 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.681 -6.204 -7.636 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.235 -3.372 -8.625 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.501 -4.373 -7.942 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.527 -4.425 -10.317 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.156 -5.966 -9.707 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.929 -4.996 -10.369 1.00 24.98 H new ATOM 471 N ILE A 30 -2.945 -4.163 -5.576 1.00 4.57 N ATOM 472 CA ILE A 30 -3.911 -4.493 -4.597 1.00 5.58 C ATOM 473 C ILE A 30 -5.269 -4.463 -5.207 1.00 7.26 C ATOM 474 O ILE A 30 -6.153 -5.277 -4.871 1.00 9.46 O ATOM 475 CB ILE A 30 -3.798 -3.592 -3.298 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.487 -3.881 -2.586 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.943 -4.041 -2.366 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.038 -2.902 -1.509 1.00 2.00 C ATOM 0 H ILE A 30 -2.700 -3.173 -5.564 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.716 -5.507 -4.249 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.848 -2.533 -3.553 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.562 -4.869 -2.132 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.701 -3.936 -3.339 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.917 -3.453 -1.449 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.900 -3.891 -2.866 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.822 -5.097 -2.124 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.089 -3.234 -1.088 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.914 -1.911 -1.947 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.789 -2.859 -0.720 1.00 2.00 H new ATOM 490 N GLN A 31 -5.508 -3.543 -6.152 1.00 7.06 N ATOM 491 CA GLN A 31 -6.693 -3.584 -6.978 1.00 8.67 C ATOM 492 C GLN A 31 -6.867 -4.876 -7.729 1.00 10.90 C ATOM 493 O GLN A 31 -7.955 -5.444 -7.744 1.00 9.63 O ATOM 494 CB GLN A 31 -6.604 -2.460 -7.975 1.00 9.12 C ATOM 495 CG GLN A 31 -7.855 -2.499 -8.892 1.00 10.76 C ATOM 496 CD GLN A 31 -8.167 -1.096 -9.531 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.308 -0.676 -9.659 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.156 -0.546 -10.238 1.00 14.76 N ATOM 0 H GLN A 31 -4.884 -2.762 -6.354 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.552 -3.490 -6.314 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.545 -1.502 -7.458 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.697 -2.556 -8.571 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.700 -3.231 -9.685 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.717 -2.833 -8.314 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.206 -0.899 -10.128 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.343 0.223 -10.882 1.00 14.76 H new ATOM 507 N ASP A 32 -5.809 -5.366 -8.349 1.00 10.93 N ATOM 508 CA ASP A 32 -5.830 -6.683 -9.043 1.00 14.01 C ATOM 509 C ASP A 32 -6.013 -7.841 -8.085 1.00 14.04 C ATOM 510 O ASP A 32 -6.781 -8.774 -8.385 1.00 13.39 O ATOM 511 CB ASP A 32 -4.449 -6.734 -9.761 1.00 18.01 C ATOM 512 CG ASP A 32 -4.564 -7.786 -10.828 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.459 -7.698 -11.701 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.767 -8.751 -10.810 1.00 26.29 O ATOM 0 H ASP A 32 -4.911 -4.885 -8.398 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.671 -6.777 -9.730 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.201 -5.766 -10.196 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.654 -6.980 -9.057 1.00 18.01 H new ATOM 519 N LYS A 33 -5.273 -7.860 -6.939 1.00 14.22 N ATOM 520 CA LYS A 33 -5.513 -8.994 -5.958 1.00 14.00 C ATOM 521 C LYS A 33 -6.834 -8.978 -5.149 1.00 12.37 C ATOM 522 O LYS A 33 -7.469 -10.016 -5.016 1.00 12.17 O ATOM 523 CB LYS A 33 -4.381 -9.085 -4.935 1.00 18.62 C ATOM 524 CG LYS A 33 -3.009 -9.487 -5.500 1.00 24.00 C ATOM 525 CD LYS A 33 -1.983 -10.096 -4.563 1.00 27.61 C ATOM 526 CE LYS A 33 -0.646 -10.409 -5.269 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.870 -11.197 -6.552 1.00 30.06 N ATOM 0 H LYS A 33 -4.564 -7.177 -6.673 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.569 -9.851 -6.629 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.282 -8.118 -4.442 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.664 -9.806 -4.169 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.180 -10.198 -6.309 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.562 -8.598 -5.946 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.801 -9.411 -3.735 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.387 -11.013 -4.135 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.126 -9.479 -5.497 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.002 -10.978 -4.598 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.042 -11.552 -6.905 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.503 -11.999 -6.361 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.301 -10.579 -7.268 1.00 30.06 H new ATOM 541 N GLU A 34 -7.255 -7.783 -4.685 1.00 10.11 N ATOM 542 CA GLU A 34 -8.336 -7.660 -3.731 1.00 10.07 C ATOM 543 C GLU A 34 -9.625 -7.106 -4.353 1.00 9.32 C ATOM 544 O GLU A 34 -10.671 -7.145 -3.693 1.00 11.61 O ATOM 545 CB GLU A 34 -7.899 -6.885 -2.462 1.00 14.77 C ATOM 546 CG GLU A 34 -6.946 -7.729 -1.552 1.00 18.75 C ATOM 547 CD GLU A 34 -7.714 -8.817 -0.855 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.674 -8.494 -0.133 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.446 -9.994 -1.045 1.00 25.19 O ATOM 0 H GLU A 34 -6.847 -6.892 -4.969 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.583 -8.672 -3.410 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.396 -5.964 -2.756 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.782 -6.597 -1.892 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.150 -8.166 -2.155 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.469 -7.082 -0.815 1.00 18.75 H new ATOM 556 N GLY A 35 -9.551 -6.530 -5.600 1.00 7.22 N ATOM 557 CA GLY A 35 -10.692 -5.860 -6.128 1.00 6.29 C ATOM 558 C GLY A 35 -11.018 -4.510 -5.526 1.00 6.93 C ATOM 559 O GLY A 35 -12.144 -4.052 -5.699 1.00 7.41 O ATOM 0 H GLY A 35 -8.728 -6.538 -6.203 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.546 -5.730 -7.200 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.558 -6.509 -6.001 1.00 6.29 H new ATOM 563 N ILE A 36 -10.023 -3.856 -4.848 1.00 5.86 N ATOM 564 CA ILE A 36 -10.266 -2.659 -4.076 1.00 6.07 C ATOM 565 C ILE A 36 -9.654 -1.542 -4.820 1.00 6.36 C ATOM 566 O ILE A 36 -8.425 -1.640 -4.946 1.00 6.18 O ATOM 567 CB ILE A 36 -9.781 -2.693 -2.669 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.452 -3.865 -1.773 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.024 -1.292 -2.000 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.816 -4.089 -0.472 1.00 9.49 C ATOM 0 H ILE A 36 -9.051 -4.164 -4.840 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.345 -2.547 -3.965 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.716 -2.921 -2.709 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.502 -3.622 -1.610 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.424 -4.796 -2.339 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.670 -1.315 -0.969 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.482 -0.525 -2.554 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.090 -1.063 -2.012 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.335 -4.891 0.053 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.773 -4.368 -0.620 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.867 -3.175 0.120 1.00 9.49 H new ATOM 582 N PRO A 37 -10.271 -0.528 -5.440 1.00 8.65 N ATOM 583 CA PRO A 37 -9.643 0.500 -6.291 1.00 9.18 C ATOM 584 C PRO A 37 -8.606 1.320 -5.543 1.00 9.85 C ATOM 585 O PRO A 37 -8.901 1.570 -4.376 1.00 8.51 O ATOM 586 CB PRO A 37 -10.791 1.379 -6.723 1.00 11.42 C ATOM 587 CG PRO A 37 -12.003 0.455 -6.813 1.00 9.27 C ATOM 588 CD PRO A 37 -11.757 -0.535 -5.671 1.00 8.33 C ATOM 0 HA PRO A 37 -9.107 0.047 -7.125 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.962 2.181 -6.005 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.584 1.850 -7.684 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.938 1.000 -6.682 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.059 -0.047 -7.779 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.295 -0.236 -4.771 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.108 -1.533 -5.935 1.00 8.33 H new ATOM 596 N PRO A 38 -7.577 1.956 -6.068 1.00 8.71 N ATOM 597 CA PRO A 38 -6.625 2.777 -5.227 1.00 9.08 C ATOM 598 C PRO A 38 -7.288 3.852 -4.407 1.00 9.28 C ATOM 599 O PRO A 38 -6.840 4.173 -3.289 1.00 6.50 O ATOM 600 CB PRO A 38 -5.711 3.262 -6.346 1.00 10.31 C ATOM 601 CG PRO A 38 -6.356 3.076 -7.724 1.00 10.81 C ATOM 602 CD PRO A 38 -7.128 1.798 -7.439 1.00 12.00 C ATOM 0 HA PRO A 38 -6.117 2.248 -4.421 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.476 4.315 -6.193 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.768 2.716 -6.309 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.003 3.908 -8.005 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.623 2.959 -8.522 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.968 1.679 -8.123 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.497 0.917 -7.553 1.00 12.00 H new ATOM 610 N ASP A 39 -8.283 4.553 -4.999 1.00 11.20 N ATOM 611 CA ASP A 39 -8.980 5.653 -4.296 1.00 14.96 C ATOM 612 C ASP A 39 -9.851 5.182 -3.111 1.00 13.99 C ATOM 613 O ASP A 39 -10.289 6.011 -2.312 1.00 13.75 O ATOM 614 CB ASP A 39 -9.965 6.446 -5.201 1.00 24.16 C ATOM 615 CG ASP A 39 -9.349 7.178 -6.296 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.670 6.590 -7.173 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.615 8.406 -6.356 1.00 34.22 O ATOM 0 H ASP A 39 -8.617 4.380 -5.947 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.146 6.271 -3.963 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.693 5.749 -5.616 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.517 7.151 -4.579 1.00 24.16 H new ATOM 622 N GLN A 40 -10.045 3.840 -3.012 1.00 11.60 N ATOM 623 CA GLN A 40 -10.675 3.257 -1.830 1.00 10.76 C ATOM 624 C GLN A 40 -9.674 2.652 -0.848 1.00 8.01 C ATOM 625 O GLN A 40 -10.011 1.945 0.099 1.00 8.96 O ATOM 626 CB GLN A 40 -11.600 2.113 -2.301 1.00 11.14 C ATOM 627 CG GLN A 40 -12.830 2.650 -3.153 1.00 14.85 C ATOM 628 CD GLN A 40 -13.721 1.390 -3.352 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.641 0.436 -2.569 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.612 1.386 -4.337 1.00 18.16 N ATOM 0 H GLN A 40 -9.775 3.166 -3.728 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.206 4.059 -1.318 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.026 1.406 -2.900 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.971 1.567 -1.434 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.366 3.440 -2.628 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.505 3.065 -4.107 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.669 2.179 -4.977 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.240 0.590 -4.454 1.00 18.16 H new ATOM 639 N GLN A 41 -8.376 2.877 -1.129 1.00 6.52 N ATOM 640 CA GLN A 41 -7.336 2.312 -0.234 1.00 3.87 C ATOM 641 C GLN A 41 -6.592 3.465 0.436 1.00 4.79 C ATOM 642 O GLN A 41 -6.098 4.363 -0.278 1.00 6.34 O ATOM 643 CB GLN A 41 -6.221 1.545 -1.009 1.00 4.20 C ATOM 644 CG GLN A 41 -6.722 0.373 -1.716 1.00 3.20 C ATOM 645 CD GLN A 41 -5.599 -0.194 -2.664 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.413 -0.192 -2.406 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.032 -0.634 -3.875 1.00 7.13 N ATOM 0 H GLN A 41 -8.030 3.415 -1.923 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.856 1.644 0.452 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.753 2.221 -1.724 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.446 1.236 -0.308 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.029 -0.391 -1.002 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.604 0.637 -2.299 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.029 -0.635 -4.091 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.360 -0.963 -4.568 1.00 7.13 H new ATOM 656 N ARG A 42 -6.504 3.427 1.806 1.00 5.73 N ATOM 657 CA ARG A 42 -5.572 4.198 2.640 1.00 6.97 C ATOM 658 C ARG A 42 -4.458 3.239 3.049 1.00 7.15 C ATOM 659 O ARG A 42 -4.691 2.281 3.769 1.00 7.33 O ATOM 660 CB ARG A 42 -6.252 4.787 3.864 1.00 13.23 C ATOM 661 CG ARG A 42 -7.114 6.088 3.519 1.00 21.27 C ATOM 662 CD ARG A 42 -7.301 6.926 4.788 1.00 26.14 C ATOM 663 NE ARG A 42 -7.955 8.188 4.349 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.202 8.595 4.595 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.113 7.819 5.195 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.584 9.771 4.163 1.00 36.39 N ATOM 0 H ARG A 42 -7.114 2.828 2.363 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.182 5.047 2.079 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.900 4.034 4.313 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.497 5.042 4.608 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.612 6.677 2.752 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.084 5.798 3.115 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.917 6.399 5.517 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.343 7.128 5.267 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.380 8.820 3.792 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.866 6.873 5.485 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.055 8.174 5.362 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.932 10.361 3.647 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.534 10.097 4.343 1.00 36.39 H new ATOM 680 N LEU A 43 -3.206 3.448 2.619 1.00 4.65 N ATOM 681 CA LEU A 43 -2.125 2.597 3.007 1.00 3.51 C ATOM 682 C LEU A 43 -1.287 3.396 4.039 1.00 5.56 C ATOM 683 O LEU A 43 -0.903 4.533 3.887 1.00 4.19 O ATOM 684 CB LEU A 43 -1.224 2.009 1.844 1.00 3.74 C ATOM 685 CG LEU A 43 -1.955 1.299 0.635 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.934 0.825 -0.394 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.786 0.190 1.146 1.00 6.41 C ATOM 0 H LEU A 43 -2.938 4.211 1.998 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.558 1.688 3.425 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.623 2.824 1.441 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.532 1.292 2.286 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.613 2.007 0.131 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.450 0.338 -1.221 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.372 1.680 -0.770 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.249 0.118 0.073 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.290 -0.300 0.313 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.153 -0.531 1.662 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.529 0.582 1.840 1.00 6.41 H new ATOM 699 N ILE A 44 -0.975 2.665 5.121 1.00 4.58 N ATOM 700 CA ILE A 44 -0.248 3.158 6.305 1.00 5.55 C ATOM 701 C ILE A 44 1.033 2.384 6.582 1.00 5.46 C ATOM 702 O ILE A 44 1.072 1.174 6.483 1.00 6.04 O ATOM 703 CB ILE A 44 -1.235 3.176 7.511 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.381 4.175 7.199 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.631 3.391 8.867 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.507 4.041 8.230 1.00 13.90 C ATOM 0 H ILE A 44 -1.230 1.681 5.200 1.00 4.58 H new ATOM 0 HA ILE A 44 0.100 4.174 6.118 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.624 2.162 7.604 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.994 5.194 7.205 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.772 3.988 6.199 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.418 3.383 9.621 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.082 2.594 9.078 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.118 4.352 8.888 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.302 4.749 7.995 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.905 3.027 8.204 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.116 4.252 9.225 1.00 13.90 H new ATOM 718 N PHE A 45 2.143 3.096 6.931 1.00 6.75 N ATOM 719 CA PHE A 45 3.490 2.567 7.230 1.00 4.70 C ATOM 720 C PHE A 45 4.036 3.467 8.298 1.00 6.34 C ATOM 721 O PHE A 45 3.834 4.682 8.297 1.00 5.45 O ATOM 722 CB PHE A 45 4.478 2.533 6.006 1.00 5.51 C ATOM 723 CG PHE A 45 5.725 1.762 6.420 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.704 0.457 6.784 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.953 2.485 6.501 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.847 -0.245 7.120 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.136 1.809 6.805 1.00 6.64 C ATOM 728 CZ PHE A 45 8.051 0.432 7.077 1.00 6.84 C ATOM 0 H PHE A 45 2.111 4.112 7.013 1.00 6.75 H new ATOM 0 HA PHE A 45 3.400 1.523 7.529 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.004 2.056 5.148 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.741 3.546 5.702 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.754 -0.057 6.813 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.967 3.551 6.328 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.800 -1.285 7.406 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.084 2.326 6.830 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.962 -0.118 7.259 1.00 6.84 H new ATOM 738 N ALA A 46 4.670 2.796 9.342 1.00 6.53 N ATOM 739 CA ALA A 46 5.142 3.441 10.566 1.00 7.15 C ATOM 740 C ALA A 46 4.161 4.361 11.343 1.00 9.00 C ATOM 741 O ALA A 46 4.455 5.479 11.778 1.00 11.15 O ATOM 742 CB ALA A 46 6.417 4.263 10.278 1.00 8.99 C ATOM 0 H ALA A 46 4.850 1.792 9.322 1.00 6.53 H new ATOM 0 HA ALA A 46 5.303 2.585 11.222 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.759 4.739 11.197 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.197 3.603 9.899 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.196 5.028 9.534 1.00 8.99 H new ATOM 748 N GLY A 47 2.892 3.956 11.390 1.00 9.35 N ATOM 749 CA GLY A 47 1.898 4.799 11.983 1.00 11.68 C ATOM 750 C GLY A 47 1.302 5.982 11.170 1.00 11.14 C ATOM 751 O GLY A 47 0.465 6.653 11.755 1.00 13.93 O ATOM 0 H GLY A 47 2.549 3.066 11.028 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.067 4.160 12.283 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.327 5.215 12.895 1.00 11.68 H new ATOM 755 N LYS A 48 1.649 6.128 9.905 1.00 10.47 N ATOM 756 CA LYS A 48 1.359 7.221 9.053 1.00 8.82 C ATOM 757 C LYS A 48 1.026 6.843 7.673 1.00 7.68 C ATOM 758 O LYS A 48 1.344 5.788 7.215 1.00 6.47 O ATOM 759 CB LYS A 48 2.510 8.205 9.039 1.00 9.74 C ATOM 760 CG LYS A 48 2.890 8.839 10.360 1.00 14.14 C ATOM 761 CD LYS A 48 1.783 9.805 10.806 1.00 16.32 C ATOM 762 CE LYS A 48 2.138 10.418 12.130 1.00 20.04 C ATOM 763 NZ LYS A 48 1.133 11.345 12.622 1.00 23.92 N ATOM 0 H LYS A 48 2.189 5.409 9.423 1.00 10.47 H new ATOM 0 HA LYS A 48 0.465 7.681 9.473 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.388 7.693 8.644 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.264 9.003 8.339 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.039 8.068 11.115 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.834 9.374 10.260 1.00 14.14 H new ATOM 0 HD2 LYS A 48 1.649 10.587 10.059 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.835 9.273 10.885 1.00 16.32 H new ATOM 0 HE2 LYS A 48 2.280 9.624 12.863 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.090 10.941 12.037 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 1.437 11.733 13.538 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 1.013 12.121 11.940 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 0.229 10.846 12.741 1.00 23.92 H new ATOM 777 N GLN A 49 0.388 7.747 6.895 1.00 8.89 N ATOM 778 CA GLN A 49 -0.144 7.468 5.550 1.00 7.18 C ATOM 779 C GLN A 49 0.974 7.487 4.608 1.00 8.23 C ATOM 780 O GLN A 49 2.149 7.977 4.797 1.00 9.70 O ATOM 781 CB GLN A 49 -1.335 8.382 5.171 1.00 11.67 C ATOM 782 CG GLN A 49 -2.463 8.231 6.173 1.00 15.82 C ATOM 783 CD GLN A 49 -3.620 9.208 5.762 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.634 9.944 4.791 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.597 9.332 6.686 1.00 20.67 N ATOM 0 H GLN A 49 0.228 8.709 7.195 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.591 6.474 5.520 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.007 9.421 5.138 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.692 8.129 4.173 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.822 7.202 6.188 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.111 8.461 7.179 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.603 8.725 7.506 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.329 10.032 6.564 1.00 20.67 H new ATOM 794 N LEU A 50 0.593 6.906 3.463 1.00 6.51 N ATOM 795 CA LEU A 50 1.397 6.808 2.189 1.00 7.41 C ATOM 796 C LEU A 50 0.650 7.324 0.994 1.00 8.27 C ATOM 797 O LEU A 50 -0.528 7.005 0.744 1.00 8.34 O ATOM 798 CB LEU A 50 1.652 5.305 1.864 1.00 7.13 C ATOM 799 CG LEU A 50 2.520 4.525 2.906 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.744 3.059 2.396 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.993 5.087 3.240 1.00 9.11 C ATOM 0 H LEU A 50 -0.322 6.465 3.372 1.00 6.51 H new ATOM 0 HA LEU A 50 2.304 7.389 2.357 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.689 4.803 1.772 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.139 5.240 0.891 1.00 7.13 H new ATOM 0 HG LEU A 50 1.935 4.627 3.820 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.349 2.511 3.119 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.780 2.563 2.279 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.259 3.083 1.436 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.470 4.442 3.978 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.592 5.102 2.329 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.915 6.098 3.639 1.00 9.11 H new ATOM 813 N GLU A 51 1.283 8.285 0.319 1.00 9.43 N ATOM 814 CA GLU A 51 0.700 9.064 -0.822 1.00 11.90 C ATOM 815 C GLU A 51 1.031 8.477 -2.190 1.00 11.49 C ATOM 816 O GLU A 51 2.265 8.290 -2.426 1.00 9.88 O ATOM 817 CB GLU A 51 1.130 10.529 -0.797 1.00 16.56 C ATOM 818 CG GLU A 51 0.702 11.495 -1.990 1.00 26.06 C ATOM 819 CD GLU A 51 1.425 12.815 -1.801 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.988 13.609 -0.901 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.418 13.153 -2.548 1.00 33.44 O ATOM 0 H GLU A 51 2.239 8.565 0.540 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.378 8.997 -0.676 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.751 10.965 0.127 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.218 10.549 -0.736 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.961 11.052 -2.952 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.377 11.647 -1.990 1.00 26.06 H new ATOM 828 N ASP A 52 0.028 8.190 -3.022 1.00 12.71 N ATOM 829 CA ASP A 52 0.082 7.561 -4.384 1.00 16.56 C ATOM 830 C ASP A 52 1.307 7.840 -5.300 1.00 15.83 C ATOM 831 O ASP A 52 2.014 6.914 -5.712 1.00 17.21 O ATOM 832 CB ASP A 52 -1.259 7.654 -5.183 1.00 21.05 C ATOM 833 CG ASP A 52 -2.460 7.554 -4.248 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.519 8.333 -3.251 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.320 6.663 -4.377 1.00 28.37 O ATOM 0 H ASP A 52 -0.934 8.402 -2.757 1.00 12.71 H new ATOM 0 HA ASP A 52 0.248 6.527 -4.081 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.296 8.596 -5.729 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.302 6.855 -5.923 1.00 21.05 H new ATOM 840 N GLY A 53 1.611 9.129 -5.562 1.00 15.00 N ATOM 841 CA GLY A 53 2.609 9.498 -6.611 1.00 11.77 C ATOM 842 C GLY A 53 4.073 9.654 -6.129 1.00 11.10 C ATOM 843 O GLY A 53 4.926 9.895 -6.937 1.00 11.25 O ATOM 0 H GLY A 53 1.194 9.924 -5.077 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.583 8.738 -7.392 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.296 10.436 -7.069 1.00 11.77 H new ATOM 847 N ARG A 54 4.343 9.448 -4.816 1.00 8.53 N ATOM 848 CA ARG A 54 5.667 9.243 -4.203 1.00 9.05 C ATOM 849 C ARG A 54 6.088 7.772 -4.373 1.00 8.96 C ATOM 850 O ARG A 54 5.322 6.846 -4.690 1.00 11.60 O ATOM 851 CB ARG A 54 5.740 9.507 -2.713 1.00 7.97 C ATOM 852 CG ARG A 54 4.968 10.810 -2.367 1.00 9.62 C ATOM 853 CD ARG A 54 5.602 11.643 -1.181 1.00 12.20 C ATOM 854 NE ARG A 54 4.782 12.829 -0.891 1.00 18.23 N ATOM 855 CZ ARG A 54 4.553 13.325 0.341 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.389 13.109 1.351 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.356 13.919 0.544 1.00 23.38 N ATOM 0 H ARG A 54 3.596 9.420 -4.122 1.00 8.53 H new ATOM 0 HA ARG A 54 6.311 9.960 -4.713 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.315 8.666 -2.165 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.781 9.597 -2.402 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.924 11.440 -3.256 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.941 10.553 -2.107 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.678 11.019 -0.290 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.615 11.949 -1.444 1.00 12.20 H new ATOM 0 HE ARG A 54 4.355 13.312 -1.681 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.232 12.554 1.205 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.187 13.498 2.272 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.679 13.975 -0.217 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.130 14.312 1.458 1.00 23.38 H new ATOM 871 N THR A 55 7.388 7.457 -4.111 1.00 9.05 N ATOM 872 CA THR A 55 7.970 6.093 -4.312 1.00 9.03 C ATOM 873 C THR A 55 8.038 5.394 -2.921 1.00 8.15 C ATOM 874 O THR A 55 8.002 6.054 -1.898 1.00 5.91 O ATOM 875 CB THR A 55 9.350 6.111 -5.044 1.00 11.15 C ATOM 876 OG1 THR A 55 10.227 7.079 -4.471 1.00 11.95 O ATOM 877 CG2 THR A 55 9.165 6.363 -6.519 1.00 11.71 C ATOM 0 H THR A 55 8.061 8.136 -3.756 1.00 9.05 H new ATOM 0 HA THR A 55 7.325 5.524 -4.982 1.00 9.03 H new ATOM 0 HB THR A 55 9.810 5.131 -4.917 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.047 6.637 -4.165 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.137 6.372 -7.011 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.548 5.574 -6.948 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.676 7.326 -6.665 1.00 11.71 H new ATOM 885 N LEU A 56 8.365 4.058 -2.978 1.00 6.91 N ATOM 886 CA LEU A 56 8.742 3.153 -1.878 1.00 8.29 C ATOM 887 C LEU A 56 10.001 3.582 -1.190 1.00 8.05 C ATOM 888 O LEU A 56 10.133 3.642 0.021 1.00 10.17 O ATOM 889 CB LEU A 56 8.837 1.718 -2.337 1.00 6.60 C ATOM 890 CG LEU A 56 7.483 1.050 -2.732 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.625 -0.460 -3.150 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.536 1.205 -1.562 1.00 8.64 C ATOM 0 H LEU A 56 8.366 3.567 -3.872 1.00 6.91 H new ATOM 0 HA LEU A 56 7.938 3.215 -1.144 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.509 1.672 -3.194 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.295 1.130 -1.542 1.00 6.60 H new ATOM 0 HG LEU A 56 7.096 1.551 -3.619 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.645 -0.859 -3.411 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.290 -0.538 -4.010 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.039 -1.030 -2.318 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.578 0.747 -1.807 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.959 0.715 -0.685 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.389 2.264 -1.351 1.00 8.64 H new ATOM 904 N SER A 57 11.054 3.944 -1.966 1.00 8.92 N ATOM 905 CA SER A 57 12.281 4.513 -1.436 1.00 9.00 C ATOM 906 C SER A 57 12.161 5.795 -0.685 1.00 9.44 C ATOM 907 O SER A 57 12.840 5.994 0.290 1.00 10.91 O ATOM 908 CB SER A 57 13.220 4.768 -2.624 1.00 10.32 C ATOM 909 OG SER A 57 12.573 5.611 -3.636 1.00 13.59 O ATOM 0 H SER A 57 11.058 3.841 -2.981 1.00 8.92 H new ATOM 0 HA SER A 57 12.641 3.786 -0.708 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.132 5.250 -2.274 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.513 3.818 -3.071 1.00 10.32 H new ATOM 0 HG SER A 57 13.191 5.760 -4.382 1.00 13.59 H new ATOM 915 N ASP A 58 11.179 6.652 -1.093 1.00 9.11 N ATOM 916 CA ASP A 58 10.890 7.878 -0.436 1.00 7.91 C ATOM 917 C ASP A 58 10.356 7.714 0.983 1.00 9.12 C ATOM 918 O ASP A 58 10.527 8.529 1.856 1.00 8.61 O ATOM 919 CB ASP A 58 9.950 8.722 -1.383 1.00 8.41 C ATOM 920 CG ASP A 58 10.129 10.205 -1.205 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.713 10.649 -0.079 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.518 10.952 -2.104 1.00 10.05 O ATOM 0 H ASP A 58 10.583 6.471 -1.900 1.00 9.11 H new ATOM 0 HA ASP A 58 11.819 8.424 -0.271 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.154 8.457 -2.421 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.911 8.459 -1.185 1.00 8.41 H new ATOM 927 N TYR A 59 9.735 6.564 1.273 1.00 7.97 N ATOM 928 CA TYR A 59 9.125 6.292 2.565 1.00 8.45 C ATOM 929 C TYR A 59 10.004 5.309 3.303 1.00 10.98 C ATOM 930 O TYR A 59 9.757 5.063 4.481 1.00 12.95 O ATOM 931 CB TYR A 59 7.758 5.610 2.378 1.00 7.94 C ATOM 932 CG TYR A 59 6.768 6.686 2.083 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.541 7.726 3.044 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.078 6.785 0.848 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.660 8.810 2.702 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.163 7.807 0.586 1.00 6.52 C ATOM 937 CZ TYR A 59 4.868 8.818 1.525 1.00 6.76 C ATOM 938 OH TYR A 59 3.768 9.693 1.298 1.00 7.63 O ATOM 0 H TYR A 59 9.645 5.796 0.608 1.00 7.97 H new ATOM 0 HA TYR A 59 9.008 7.231 3.105 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.796 4.888 1.563 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.475 5.062 3.277 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.024 7.696 4.009 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.266 6.045 0.084 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.599 9.656 3.371 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.663 7.824 -0.371 1.00 6.52 H new ATOM 0 HH TYR A 59 3.917 10.536 1.775 1.00 7.63 H new ATOM 948 N ASN A 60 11.071 4.783 2.638 1.00 12.38 N ATOM 949 CA ASN A 60 12.016 3.799 3.258 1.00 13.94 C ATOM 950 C ASN A 60 11.340 2.415 3.517 1.00 14.16 C ATOM 951 O ASN A 60 11.587 1.785 4.532 1.00 14.26 O ATOM 952 CB ASN A 60 12.616 4.420 4.593 1.00 19.23 C ATOM 953 CG ASN A 60 13.249 5.772 4.320 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.702 6.022 3.205 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.418 6.642 5.336 1.00 24.09 N ATOM 0 H ASN A 60 11.301 5.022 1.673 1.00 12.38 H new ATOM 0 HA ASN A 60 12.829 3.608 2.557 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.827 4.526 5.337 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.360 3.743 5.012 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.924 7.514 5.182 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.039 6.428 6.259 1.00 24.09 H new ATOM 962 N ILE A 61 10.463 2.063 2.606 1.00 11.08 N ATOM 963 CA ILE A 61 9.777 0.799 2.553 1.00 11.78 C ATOM 964 C ILE A 61 10.904 -0.164 2.058 1.00 13.74 C ATOM 965 O ILE A 61 11.591 0.172 1.107 1.00 14.60 O ATOM 966 CB ILE A 61 8.505 0.756 1.797 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.492 1.504 2.665 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.091 -0.737 1.568 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.251 2.024 1.908 1.00 11.42 C ATOM 0 H ILE A 61 10.197 2.686 1.843 1.00 11.08 H new ATOM 0 HA ILE A 61 9.363 0.514 3.520 1.00 11.78 H new ATOM 0 HB ILE A 61 8.576 1.216 0.811 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.161 0.842 3.465 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.993 2.349 3.137 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.154 -0.774 1.011 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.870 -1.248 1.002 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.960 -1.230 2.531 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.590 2.540 2.604 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.565 2.715 1.126 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.720 1.184 1.459 1.00 11.42 H new ATOM 981 N GLN A 62 11.130 -1.305 2.676 1.00 13.97 N ATOM 982 CA GLN A 62 12.353 -2.108 2.522 1.00 15.52 C ATOM 983 C GLN A 62 11.844 -3.512 2.374 1.00 13.94 C ATOM 984 O GLN A 62 10.661 -3.756 2.413 1.00 12.15 O ATOM 985 CB GLN A 62 13.185 -2.170 3.889 1.00 19.53 C ATOM 986 CG GLN A 62 13.861 -0.804 4.146 1.00 26.38 C ATOM 987 CD GLN A 62 14.460 -0.557 5.556 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.401 -1.338 6.523 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.106 0.631 5.654 1.00 32.71 N ATOM 0 H GLN A 62 10.457 -1.722 3.320 1.00 13.97 H new ATOM 0 HA GLN A 62 12.965 -1.706 1.714 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.524 -2.422 4.718 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.939 -2.955 3.833 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.660 -0.681 3.415 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.126 -0.023 3.951 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.144 1.259 4.851 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.554 0.897 6.531 1.00 32.71 H new ATOM 998 N LYS A 63 12.780 -4.416 2.186 1.00 11.73 N ATOM 999 CA LYS A 63 12.381 -5.795 1.977 1.00 11.97 C ATOM 1000 C LYS A 63 11.635 -6.462 3.108 1.00 10.41 C ATOM 1001 O LYS A 63 11.999 -6.319 4.277 1.00 9.59 O ATOM 1002 CB LYS A 63 13.500 -6.705 1.597 1.00 13.73 C ATOM 1003 CG LYS A 63 14.615 -6.972 2.659 1.00 16.98 C ATOM 1004 CD LYS A 63 15.771 -7.807 2.065 1.00 20.19 C ATOM 1005 CE LYS A 63 16.693 -8.524 3.040 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.947 -9.684 3.447 1.00 25.97 N ATOM 0 H LYS A 63 13.784 -4.236 2.173 1.00 11.73 H new ATOM 0 HA LYS A 63 11.689 -5.663 1.145 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.069 -7.666 1.315 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.977 -6.296 0.706 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.002 -6.023 3.028 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.187 -7.496 3.514 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.339 -8.554 1.399 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.381 -7.146 1.449 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.634 -8.803 2.566 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.940 -7.891 3.892 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.574 -10.339 3.956 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.168 -9.394 4.072 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.558 -10.159 2.607 1.00 25.97 H new ATOM 1020 N GLU A 64 10.538 -7.131 2.796 1.00 10.04 N ATOM 1021 CA GLU A 64 9.647 -7.864 3.658 1.00 10.94 C ATOM 1022 C GLU A 64 8.895 -6.935 4.621 1.00 9.74 C ATOM 1023 O GLU A 64 8.365 -7.342 5.685 1.00 9.42 O ATOM 1024 CB GLU A 64 10.382 -9.072 4.361 1.00 18.31 C ATOM 1025 CG GLU A 64 10.890 -10.336 3.467 1.00 24.16 C ATOM 1026 CD GLU A 64 11.521 -11.344 4.341 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.627 -11.155 5.606 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.976 -12.375 3.792 1.00 32.61 O ATOM 0 H GLU A 64 10.223 -7.174 1.827 1.00 10.04 H new ATOM 0 HA GLU A 64 8.873 -8.319 3.040 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.252 -8.668 4.878 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.710 -9.462 5.125 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.048 -10.779 2.935 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.601 -9.998 2.714 1.00 24.16 H new ATOM 1035 N SER A 65 8.897 -5.647 4.330 1.00 6.85 N ATOM 1036 CA SER A 65 8.155 -4.722 5.133 1.00 6.90 C ATOM 1037 C SER A 65 6.685 -4.957 5.151 1.00 4.72 C ATOM 1038 O SER A 65 6.006 -5.321 4.171 1.00 3.91 O ATOM 1039 CB SER A 65 8.301 -3.247 4.689 1.00 7.28 C ATOM 1040 OG SER A 65 9.691 -2.857 4.671 1.00 10.56 O ATOM 0 H SER A 65 9.403 -5.230 3.548 1.00 6.85 H new ATOM 0 HA SER A 65 8.595 -4.898 6.114 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.868 -3.115 3.697 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.745 -2.600 5.368 1.00 7.28 H new ATOM 0 HG SER A 65 10.189 -3.449 4.070 1.00 10.56 H new ATOM 1046 N THR A 66 6.068 -4.646 6.330 1.00 4.48 N ATOM 1047 CA THR A 66 4.633 -4.791 6.568 1.00 3.80 C ATOM 1048 C THR A 66 3.967 -3.478 6.372 1.00 4.60 C ATOM 1049 O THR A 66 4.305 -2.466 6.949 1.00 5.33 O ATOM 1050 CB THR A 66 4.355 -5.351 7.971 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.897 -6.628 8.154 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.835 -5.437 8.193 1.00 3.40 C ATOM 0 H THR A 66 6.575 -4.285 7.138 1.00 4.48 H new ATOM 0 HA THR A 66 4.226 -5.506 5.853 1.00 3.80 H new ATOM 0 HB THR A 66 4.825 -4.675 8.686 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.696 -6.942 9.060 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.635 -5.834 9.188 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.398 -4.443 8.104 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.395 -6.095 7.444 1.00 3.40 H new ATOM 1060 N LEU A 67 2.896 -3.400 5.501 1.00 4.17 N ATOM 1061 CA LEU A 67 2.082 -2.202 5.334 1.00 3.85 C ATOM 1062 C LEU A 67 0.688 -2.479 5.924 1.00 3.80 C ATOM 1063 O LEU A 67 0.130 -3.569 5.797 1.00 5.54 O ATOM 1064 CB LEU A 67 1.837 -1.783 3.883 1.00 7.18 C ATOM 1065 CG LEU A 67 2.944 -1.094 3.184 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.335 -1.749 3.294 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.534 -0.810 1.716 1.00 11.66 C ATOM 0 H LEU A 67 2.600 -4.179 4.913 1.00 4.17 H new ATOM 0 HA LEU A 67 2.638 -1.405 5.827 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.580 -2.675 3.312 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.965 -1.129 3.862 1.00 7.18 H new ATOM 0 HG LEU A 67 3.090 -0.155 3.719 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.062 -1.154 2.742 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.630 -1.802 4.342 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.298 -2.755 2.876 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.350 -0.302 1.202 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.316 -1.751 1.211 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.647 -0.177 1.702 1.00 11.66 H new ATOM 1079 N HIS A 68 0.088 -1.451 6.559 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.273 -1.573 7.013 1.00 4.17 C ATOM 1081 C HIS A 68 -2.194 -0.966 5.929 1.00 5.32 C ATOM 1082 O HIS A 68 -1.873 0.028 5.304 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.366 -0.823 8.344 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.618 -1.421 9.431 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.719 -1.750 9.526 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.169 -1.695 10.674 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.895 -2.191 10.802 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.216 -2.194 11.524 1.00 16.30 N ATOM 0 H HIS A 68 0.530 -0.553 6.756 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.582 -2.607 7.170 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.012 0.197 8.196 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.414 -0.757 8.636 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.205 -1.537 10.936 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.852 -2.509 11.190 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.335 -2.498 12.490 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.248 -1.677 5.612 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.240 -1.219 4.599 1.00 3.97 C ATOM 1098 C LEU A 69 -5.548 -0.861 5.250 1.00 5.07 C ATOM 1099 O LEU A 69 -6.045 -1.625 6.085 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.591 -2.308 3.555 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.608 -1.973 2.452 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.312 -2.761 1.292 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.998 -2.348 2.842 1.00 9.96 C ATOM 0 H LEU A 69 -3.465 -2.583 6.028 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.765 -0.366 4.115 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.664 -2.611 3.069 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.965 -3.177 4.097 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.541 -0.900 2.273 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.028 -2.531 0.503 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.304 -2.533 0.945 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.378 -3.819 1.544 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.684 -2.094 2.034 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.045 -3.420 3.034 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.282 -1.805 3.743 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.182 0.279 4.959 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.486 0.601 5.484 1.00 6.26 C ATOM 1117 C VAL A 70 -8.387 1.022 4.311 1.00 9.22 C ATOM 1118 O VAL A 70 -7.942 1.661 3.317 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.427 1.681 6.575 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.852 1.926 7.103 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.591 1.231 7.759 1.00 8.54 C ATOM 0 H VAL A 70 -5.793 0.998 4.349 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.903 -0.280 5.971 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.987 2.576 6.135 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.826 2.691 7.879 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.491 2.260 6.285 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.250 1.001 7.519 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.571 2.020 8.511 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.026 0.329 8.190 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.574 1.020 7.427 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.653 0.614 4.306 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.633 1.088 3.350 1.00 16.06 C ATOM 1133 C LEU A 71 -10.899 2.566 3.461 1.00 18.09 C ATOM 1134 O LEU A 71 -10.848 3.142 4.546 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.071 0.453 3.485 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.158 -1.076 3.364 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.574 -1.612 3.656 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.658 -1.533 1.928 1.00 19.57 C ATOM 0 H LEU A 71 -10.025 -0.061 4.974 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.161 0.799 2.411 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.483 0.743 4.452 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.712 0.893 2.721 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.505 -1.506 4.124 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.580 -2.697 3.557 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.864 -1.339 4.671 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.280 -1.179 2.948 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.722 -2.618 1.849 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.284 -1.076 1.162 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.624 -1.219 1.786 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.311 3.216 2.325 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.802 4.605 2.258 1.00 25.83 C ATOM 1152 C ARG A 72 -13.127 4.557 1.517 1.00 27.74 C ATOM 1153 O ARG A 72 -13.391 3.844 0.532 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.785 5.481 1.535 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.115 6.997 1.417 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.903 7.784 0.880 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.163 9.171 0.976 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.408 10.071 0.287 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.281 9.769 -0.307 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.890 11.319 0.161 1.00 35.02 N ATOM 0 H ARG A 72 -11.304 2.761 1.412 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.940 5.036 3.249 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.828 5.382 2.047 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.651 5.084 0.529 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.968 7.137 0.753 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.404 7.387 2.393 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.009 7.530 1.450 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.708 7.510 -0.157 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.925 9.501 1.568 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.924 8.814 -0.268 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.760 10.488 -0.808 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.790 11.562 0.574 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.355 12.023 -0.348 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.085 5.275 2.124 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.481 5.457 1.570 1.00 30.76 C ATOM 1176 C LEU A 73 -15.582 6.847 0.953 1.00 32.18 C ATOM 1177 O LEU A 73 -14.816 7.756 1.157 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.534 5.296 2.711 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.454 3.895 3.408 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.428 3.854 4.639 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.585 2.666 2.494 1.00 29.11 C ATOM 0 H LEU A 73 -13.937 5.754 3.012 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.681 4.701 0.810 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.381 6.078 3.455 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.534 5.438 2.301 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.425 3.802 3.755 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.367 2.877 5.119 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.145 4.627 5.353 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.449 4.029 4.301 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.514 1.758 3.093 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.549 2.691 1.986 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.785 2.676 1.754 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.635 7.088 0.148 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.743 8.191 -0.834 1.00 35.33 C ATOM 1195 C ARG A 74 -17.067 9.477 -0.070 1.00 36.22 C ATOM 1196 O ARG A 74 -17.136 10.577 -0.651 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.865 7.980 -1.919 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.543 6.914 -2.947 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.623 6.841 -4.011 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.271 5.755 -4.898 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.582 5.939 -6.050 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.017 7.131 -6.368 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.546 4.901 -6.852 1.00 41.93 N ATOM 0 H ARG A 74 -17.467 6.498 0.162 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.791 8.234 -1.363 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.795 7.715 -1.417 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.039 8.925 -2.434 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.582 7.132 -3.413 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.446 5.946 -2.455 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.599 6.668 -3.558 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.688 7.781 -4.559 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.554 4.808 -4.645 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.104 7.923 -5.731 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.505 7.235 -7.244 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.017 4.036 -6.588 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.047 4.959 -7.740 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.295 9.412 1.238 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.643 10.598 1.994 1.00 36.07 C ATOM 1219 C GLY A 75 -16.493 11.209 2.640 1.00 36.16 C ATOM 1220 O GLY A 75 -16.556 12.309 3.281 1.00 36.26 O ATOM 0 H GLY A 75 -17.244 8.555 1.788 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.109 11.324 1.328 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.384 10.338 2.750 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.296 10.544 2.509 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.178 10.857 3.347 1.00 36.19 C ATOM 1226 C GLY A 76 -12.820 10.399 2.783 1.00 36.20 C ATOM 1227 O GLY A 76 -12.207 9.512 3.435 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.389 10.842 1.717 1.00 0.00 O ATOM 0 H GLY A 76 -15.123 9.804 1.828 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.148 11.935 3.506 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.328 10.395 4.323 1.00 36.19 H new TER 1232 GLY A 76