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 7 THR OG1 : rot 170:sc=-0.000853 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 139:sc= 1.07 (180deg=0.142) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -146:sc= -0.0252 (180deg=-0.335) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.27 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= -0.297 K(o=-0.3,f=-0.8) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0.985 (180deg=0.344) 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 -170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.106 K(o=-0.11,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.07 (180deg=0.948) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00311) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.862 X(o=-0.86,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= 0.174 K(o=0.17,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.515 K(o=0.51,f=-3.9!) USER MOD Single : A 55 THR OG1 : rot -26:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.532 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=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -128:sc= 0.00206 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.080 -6.905 -5.014 1.00 9.67 N ATOM 2 CA MET A 1 11.754 -7.516 -3.672 1.00 10.38 C ATOM 3 C MET A 1 10.239 -7.753 -3.478 1.00 9.62 C ATOM 4 O MET A 1 9.415 -7.481 -4.352 1.00 9.62 O ATOM 5 CB MET A 1 12.323 -6.683 -2.492 1.00 13.77 C ATOM 6 CG MET A 1 11.892 -5.193 -2.559 1.00 16.29 C ATOM 7 SD MET A 1 12.465 -4.186 -1.126 1.00 17.17 S ATOM 8 CE MET A 1 11.012 -3.035 -1.022 1.00 16.11 C ATOM 0 H1 MET A 1 13.058 -6.550 -5.006 1.00 9.67 H new ATOM 0 H2 MET A 1 11.979 -7.626 -5.757 1.00 9.67 H new ATOM 0 H3 MET A 1 11.428 -6.118 -5.205 1.00 9.67 H new ATOM 0 HA MET A 1 12.245 -8.489 -3.668 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.985 -7.114 -1.550 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.411 -6.745 -2.499 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.280 -4.753 -3.478 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.805 -5.141 -2.615 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.350 -2.050 -0.699 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.541 -2.954 -2.002 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.290 -3.424 -0.304 1.00 16.11 H new ATOM 20 N GLN A 2 9.861 -8.213 -2.265 1.00 9.27 N ATOM 21 CA GLN A 2 8.590 -8.526 -1.863 1.00 9.07 C ATOM 22 C GLN A 2 8.266 -7.691 -0.610 1.00 8.72 C ATOM 23 O GLN A 2 9.124 -7.382 0.232 1.00 8.22 O ATOM 24 CB GLN A 2 8.251 -9.987 -1.644 1.00 14.46 C ATOM 25 CG GLN A 2 8.305 -10.918 -2.923 1.00 17.01 C ATOM 26 CD GLN A 2 7.988 -12.396 -2.517 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.988 -13.005 -2.934 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.766 -12.883 -1.457 1.00 19.49 N ATOM 0 H GLN A 2 10.543 -8.367 -1.522 1.00 9.27 H new ATOM 0 HA GLN A 2 7.957 -8.278 -2.715 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.937 -10.389 -0.898 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.249 -10.046 -1.220 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.586 -10.573 -3.666 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.291 -10.861 -3.384 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.581 -12.358 -1.139 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.517 -13.762 -1.004 1.00 19.49 H new ATOM 37 N ILE A 3 6.992 -7.413 -0.390 1.00 5.87 N ATOM 38 CA ILE A 3 6.483 -6.676 0.783 1.00 5.07 C ATOM 39 C ILE A 3 5.185 -7.284 1.145 1.00 4.01 C ATOM 40 O ILE A 3 4.550 -7.876 0.270 1.00 4.61 O ATOM 41 CB ILE A 3 6.247 -5.197 0.485 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.189 -4.873 -0.602 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.626 -4.527 0.208 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.035 -3.365 -0.793 1.00 10.83 C ATOM 0 H ILE A 3 6.253 -7.696 -1.033 1.00 5.87 H new ATOM 0 HA ILE A 3 7.221 -6.738 1.583 1.00 5.07 H new ATOM 0 HB ILE A 3 5.782 -4.769 1.373 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.481 -5.334 -1.546 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.229 -5.306 -0.319 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.480 -3.469 -0.007 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.265 -4.634 1.085 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.100 -5.009 -0.647 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.287 -3.170 -1.561 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.719 -2.910 0.146 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.990 -2.938 -1.100 1.00 10.83 H new ATOM 56 N PHE A 4 4.754 -7.109 2.356 1.00 4.55 N ATOM 57 CA PHE A 4 3.446 -7.645 2.827 1.00 4.68 C ATOM 58 C PHE A 4 2.521 -6.496 3.172 1.00 5.30 C ATOM 59 O PHE A 4 2.899 -5.521 3.823 1.00 5.58 O ATOM 60 CB PHE A 4 3.655 -8.542 4.113 1.00 4.83 C ATOM 61 CG PHE A 4 4.750 -9.603 3.968 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.754 -10.489 2.816 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.780 -9.734 4.953 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.683 -11.490 2.673 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.693 -10.827 4.791 1.00 10.61 C ATOM 66 CZ PHE A 4 6.637 -11.686 3.673 1.00 8.90 C ATOM 0 H PHE A 4 5.273 -6.597 3.069 1.00 4.55 H new ATOM 0 HA PHE A 4 3.008 -8.249 2.033 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.900 -7.896 4.956 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.714 -9.037 4.353 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.004 -10.356 2.050 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.865 -9.043 5.778 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.676 -12.119 1.795 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.446 -10.998 5.547 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.339 -12.503 3.590 1.00 8.90 H new ATOM 76 N VAL A 5 1.222 -6.580 2.821 1.00 4.44 N ATOM 77 CA VAL A 5 0.220 -5.594 3.153 1.00 3.87 C ATOM 78 C VAL A 5 -0.831 -6.349 4.035 1.00 4.93 C ATOM 79 O VAL A 5 -1.208 -7.479 3.723 1.00 6.84 O ATOM 80 CB VAL A 5 -0.433 -5.000 1.919 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.727 -4.199 2.357 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.521 -3.904 1.314 1.00 9.13 C ATOM 0 H VAL A 5 0.849 -7.363 2.285 1.00 4.44 H new ATOM 0 HA VAL A 5 0.666 -4.749 3.678 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.651 -5.806 1.218 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.204 -3.768 1.476 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.424 -4.876 2.852 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.446 -3.401 3.044 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.060 -3.471 0.426 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.691 -3.121 2.053 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.473 -4.360 1.043 1.00 9.13 H new ATOM 92 N LYS A 6 -1.235 -5.746 5.175 1.00 6.04 N ATOM 93 CA LYS A 6 -2.180 -6.259 6.130 1.00 6.12 C ATOM 94 C LYS A 6 -3.476 -5.445 6.140 1.00 6.57 C ATOM 95 O LYS A 6 -3.435 -4.271 6.514 1.00 5.76 O ATOM 96 CB LYS A 6 -1.610 -6.347 7.585 1.00 7.45 C ATOM 97 CG LYS A 6 -0.478 -7.374 7.704 1.00 11.12 C ATOM 98 CD LYS A 6 -0.026 -7.685 9.168 1.00 14.54 C ATOM 99 CE LYS A 6 -0.989 -8.338 10.185 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.337 -9.599 9.618 1.00 20.55 N ATOM 0 H LYS A 6 -0.874 -4.832 5.448 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.393 -7.275 5.798 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.242 -5.367 7.889 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.413 -6.613 8.272 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.798 -8.303 7.232 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.383 -7.012 7.142 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.849 -8.331 9.100 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.306 -6.743 9.605 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.510 -8.462 11.156 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.873 -7.720 10.342 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.350 -10.323 10.364 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.279 -9.535 9.181 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.637 -9.860 8.895 1.00 20.55 H new ATOM 114 N THR A 7 -4.618 -6.040 5.646 1.00 7.41 N ATOM 115 CA THR A 7 -5.959 -5.450 5.489 1.00 7.48 C ATOM 116 C THR A 7 -6.600 -4.932 6.826 1.00 8.75 C ATOM 117 O THR A 7 -6.015 -5.009 7.898 1.00 8.58 O ATOM 118 CB THR A 7 -6.918 -6.315 4.751 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.289 -7.451 5.539 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.336 -6.762 3.395 1.00 9.17 C ATOM 0 H THR A 7 -4.602 -7.010 5.332 1.00 7.41 H new ATOM 0 HA THR A 7 -5.767 -4.574 4.869 1.00 7.48 H new ATOM 0 HB THR A 7 -7.814 -5.726 4.555 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.035 -7.918 5.108 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.060 -7.393 2.879 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.119 -5.885 2.785 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.417 -7.325 3.561 1.00 9.17 H new ATOM 128 N LEU A 8 -7.814 -4.353 6.852 1.00 9.84 N ATOM 129 CA LEU A 8 -8.461 -4.038 8.109 1.00 14.15 C ATOM 130 C LEU A 8 -8.799 -5.183 9.001 1.00 17.37 C ATOM 131 O LEU A 8 -8.721 -5.154 10.262 1.00 17.01 O ATOM 132 CB LEU A 8 -9.763 -3.269 7.918 1.00 16.63 C ATOM 133 CG LEU A 8 -9.731 -1.868 7.227 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.138 -1.461 6.906 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.039 -0.853 8.113 1.00 18.59 C ATOM 0 H LEU A 8 -8.350 -4.102 6.021 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.683 -3.448 8.593 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.436 -3.903 7.341 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.213 -3.138 8.902 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.159 -1.919 6.301 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.133 -0.484 6.423 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.585 -2.195 6.236 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.720 -1.408 7.826 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.027 0.116 7.615 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.576 -0.769 9.058 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.016 -1.175 8.305 1.00 18.59 H new ATOM 147 N THR A 9 -9.014 -6.309 8.418 1.00 18.33 N ATOM 148 CA THR A 9 -9.287 -7.572 9.200 1.00 19.24 C ATOM 149 C THR A 9 -8.022 -8.279 9.464 1.00 19.48 C ATOM 150 O THR A 9 -7.969 -9.335 10.057 1.00 23.14 O ATOM 151 CB THR A 9 -10.158 -8.545 8.469 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.627 -8.795 7.188 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.473 -7.841 8.295 1.00 19.70 C ATOM 0 H THR A 9 -9.017 -6.433 7.406 1.00 18.33 H new ATOM 0 HA THR A 9 -9.791 -7.248 10.111 1.00 19.24 H new ATOM 0 HB THR A 9 -10.241 -9.489 9.007 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.201 -9.434 6.715 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.167 -8.493 7.765 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.884 -7.591 9.273 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.323 -6.927 7.720 1.00 19.70 H new ATOM 161 N GLY A 10 -6.892 -7.655 9.030 1.00 19.43 N ATOM 162 CA GLY A 10 -5.521 -8.102 9.159 1.00 18.74 C ATOM 163 C GLY A 10 -5.038 -9.121 8.231 1.00 17.62 C ATOM 164 O GLY A 10 -3.913 -9.593 8.367 1.00 19.74 O ATOM 0 H GLY A 10 -6.946 -6.759 8.546 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.875 -7.229 9.061 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.389 -8.484 10.171 1.00 18.74 H new ATOM 168 N LYS A 11 -5.834 -9.565 7.240 1.00 13.56 N ATOM 169 CA LYS A 11 -5.464 -10.481 6.186 1.00 11.91 C ATOM 170 C LYS A 11 -4.312 -10.021 5.361 1.00 10.18 C ATOM 171 O LYS A 11 -4.278 -8.830 4.914 1.00 9.10 O ATOM 172 CB LYS A 11 -6.721 -10.727 5.369 1.00 13.43 C ATOM 173 CG LYS A 11 -6.713 -11.973 4.460 1.00 16.69 C ATOM 174 CD LYS A 11 -5.942 -11.870 3.146 1.00 17.92 C ATOM 175 CE LYS A 11 -6.565 -10.848 2.216 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.817 -11.325 1.628 1.00 21.93 N ATOM 0 H LYS A 11 -6.806 -9.266 7.165 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.094 -11.411 6.617 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.564 -10.810 6.055 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.901 -9.851 4.746 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.300 -12.805 5.030 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.747 -12.228 4.227 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -4.907 -11.595 3.350 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.922 -12.844 2.657 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.752 -9.926 2.766 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.861 -10.607 1.420 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.364 -10.515 1.272 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.607 -11.974 0.843 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.372 -11.826 2.351 1.00 21.93 H new ATOM 190 N THR A 12 -3.348 -10.924 5.194 1.00 9.63 N ATOM 191 CA THR A 12 -2.041 -10.555 4.738 1.00 9.85 C ATOM 192 C THR A 12 -1.897 -10.945 3.258 1.00 11.66 C ATOM 193 O THR A 12 -2.122 -12.061 2.820 1.00 12.33 O ATOM 194 CB THR A 12 -0.878 -11.199 5.520 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.176 -11.112 6.872 1.00 10.91 O ATOM 196 CG2 THR A 12 0.487 -10.534 5.209 1.00 9.63 C ATOM 0 H THR A 12 -3.465 -11.921 5.374 1.00 9.63 H new ATOM 0 HA THR A 12 -1.966 -9.479 4.897 1.00 9.85 H new ATOM 0 HB THR A 12 -0.777 -12.240 5.214 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.452 -11.517 7.393 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.271 -11.025 5.786 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.705 -10.630 4.145 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.447 -9.478 5.477 1.00 9.63 H new ATOM 204 N ILE A 13 -1.408 -10.022 2.446 1.00 10.42 N ATOM 205 CA ILE A 13 -1.113 -10.263 1.058 1.00 11.84 C ATOM 206 C ILE A 13 0.270 -9.847 0.703 1.00 10.55 C ATOM 207 O ILE A 13 0.748 -8.777 1.083 1.00 11.92 O ATOM 208 CB ILE A 13 -2.075 -9.594 0.093 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.495 -8.166 0.463 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.304 -10.533 -0.052 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.999 -7.431 -0.752 1.00 16.46 C ATOM 0 H ILE A 13 -1.204 -9.069 2.747 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.224 -11.342 0.949 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.554 -9.456 -0.854 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.273 -8.196 1.226 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.648 -7.632 0.893 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.023 -10.088 -0.740 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.980 -11.499 -0.440 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.772 -10.672 0.922 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.292 -6.420 -0.470 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.210 -7.384 -1.502 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.860 -7.957 -1.164 1.00 16.46 H new ATOM 223 N THR A 14 1.055 -10.694 -0.005 1.00 9.39 N ATOM 224 CA THR A 14 2.446 -10.479 -0.525 1.00 9.63 C ATOM 225 C THR A 14 2.305 -9.684 -1.858 1.00 11.20 C ATOM 226 O THR A 14 1.528 -10.133 -2.714 1.00 11.63 O ATOM 227 CB THR A 14 3.270 -11.772 -0.882 1.00 10.38 C ATOM 228 OG1 THR A 14 3.175 -12.685 0.192 1.00 16.30 O ATOM 229 CG2 THR A 14 4.695 -11.303 -1.139 1.00 11.66 C ATOM 0 H THR A 14 0.714 -11.623 -0.252 1.00 9.39 H new ATOM 0 HA THR A 14 2.987 -9.982 0.280 1.00 9.63 H new ATOM 0 HB THR A 14 2.897 -12.293 -1.764 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.684 -13.495 -0.021 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.320 -12.159 -1.393 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.701 -10.592 -1.965 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.087 -10.821 -0.243 1.00 11.66 H new ATOM 237 N LEU A 15 3.133 -8.669 -2.105 1.00 8.29 N ATOM 238 CA LEU A 15 3.292 -7.993 -3.384 1.00 9.03 C ATOM 239 C LEU A 15 4.809 -7.859 -3.799 1.00 8.59 C ATOM 240 O LEU A 15 5.722 -7.454 -3.061 1.00 7.79 O ATOM 241 CB LEU A 15 2.628 -6.595 -3.471 1.00 11.08 C ATOM 242 CG LEU A 15 1.214 -6.566 -2.813 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.703 -5.164 -2.660 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.116 -7.278 -3.662 1.00 15.27 C ATOM 0 H LEU A 15 3.738 -8.280 -1.382 1.00 8.29 H new ATOM 0 HA LEU A 15 2.764 -8.644 -4.081 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.268 -5.861 -2.982 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.545 -6.300 -4.517 1.00 11.08 H new ATOM 0 HG LEU A 15 1.366 -7.073 -1.860 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.284 -5.185 -2.198 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.386 -4.594 -2.030 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.635 -4.693 -3.640 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.841 -7.219 -3.143 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.033 -6.790 -4.633 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.387 -8.324 -3.804 1.00 15.27 H new ATOM 256 N GLU A 16 5.113 -8.412 -4.962 1.00 11.04 N ATOM 257 CA GLU A 16 6.392 -8.173 -5.625 1.00 11.50 C ATOM 258 C GLU A 16 6.447 -6.683 -6.170 1.00 10.13 C ATOM 259 O GLU A 16 5.508 -6.307 -6.807 1.00 9.83 O ATOM 260 CB GLU A 16 6.675 -9.224 -6.763 1.00 17.22 C ATOM 261 CG GLU A 16 7.953 -9.028 -7.546 1.00 23.33 C ATOM 262 CD GLU A 16 8.161 -10.100 -8.565 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.581 -10.024 -9.716 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.814 -11.169 -8.245 1.00 28.90 O ATOM 0 H GLU A 16 4.488 -9.035 -5.473 1.00 11.04 H new ATOM 0 HA GLU A 16 7.186 -8.302 -4.890 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.696 -10.217 -6.315 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.838 -9.207 -7.462 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.928 -8.058 -8.042 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.799 -9.013 -6.859 1.00 23.33 H new ATOM 271 N VAL A 17 7.569 -6.028 -5.799 1.00 8.99 N ATOM 272 CA VAL A 17 7.834 -4.645 -6.070 1.00 8.85 C ATOM 273 C VAL A 17 9.384 -4.396 -6.156 1.00 8.04 C ATOM 274 O VAL A 17 10.196 -5.210 -5.781 1.00 8.99 O ATOM 275 CB VAL A 17 7.355 -3.781 -4.982 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.791 -3.632 -5.020 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.846 -4.366 -3.594 1.00 10.54 C ATOM 0 H VAL A 17 8.324 -6.485 -5.287 1.00 8.99 H new ATOM 0 HA VAL A 17 7.326 -4.412 -7.006 1.00 8.85 H new ATOM 0 HB VAL A 17 7.771 -2.782 -5.111 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.467 -2.987 -4.203 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.490 -3.192 -5.971 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.329 -4.614 -4.913 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.492 -3.727 -2.784 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.449 -5.372 -3.462 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.935 -4.401 -3.579 1.00 10.54 H new ATOM 287 N GLU A 18 9.787 -3.211 -6.585 1.00 7.29 N ATOM 288 CA GLU A 18 11.157 -2.673 -6.608 1.00 7.08 C ATOM 289 C GLU A 18 11.049 -1.487 -5.693 1.00 6.45 C ATOM 290 O GLU A 18 9.998 -0.859 -5.534 1.00 5.28 O ATOM 291 CB GLU A 18 11.594 -2.209 -8.090 1.00 10.28 C ATOM 292 CG GLU A 18 11.498 -3.272 -9.228 1.00 12.65 C ATOM 293 CD GLU A 18 12.408 -4.437 -8.872 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.313 -4.272 -8.074 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.278 -5.517 -9.496 1.00 14.33 O ATOM 0 H GLU A 18 9.118 -2.538 -6.959 1.00 7.29 H new ATOM 0 HA GLU A 18 11.908 -3.403 -6.307 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.977 -1.356 -8.372 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.624 -1.856 -8.043 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.470 -3.615 -9.342 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.796 -2.835 -10.181 1.00 12.65 H new ATOM 302 N PRO A 19 12.126 -1.060 -5.086 1.00 7.24 N ATOM 303 CA PRO A 19 12.085 0.002 -4.063 1.00 7.07 C ATOM 304 C PRO A 19 12.049 1.397 -4.699 1.00 6.65 C ATOM 305 O PRO A 19 11.643 2.371 -4.020 1.00 6.37 O ATOM 306 CB PRO A 19 13.426 -0.144 -3.287 1.00 7.61 C ATOM 307 CG PRO A 19 14.385 -0.857 -4.316 1.00 8.16 C ATOM 308 CD PRO A 19 13.420 -1.692 -5.198 1.00 7.49 C ATOM 0 HA PRO A 19 11.197 -0.096 -3.438 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.818 0.826 -2.981 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.301 -0.737 -2.381 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.945 -0.134 -4.909 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.115 -1.490 -3.811 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.757 -1.710 -6.235 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.379 -2.727 -4.858 1.00 7.49 H new ATOM 316 N SER A 20 12.324 1.521 -5.982 1.00 6.80 N ATOM 317 CA SER A 20 12.459 2.761 -6.717 1.00 6.28 C ATOM 318 C SER A 20 11.100 3.136 -7.292 1.00 8.45 C ATOM 319 O SER A 20 11.015 3.926 -8.209 1.00 7.26 O ATOM 320 CB SER A 20 13.552 2.720 -7.755 1.00 8.57 C ATOM 321 OG SER A 20 13.423 1.621 -8.687 1.00 11.13 O ATOM 0 H SER A 20 12.468 0.705 -6.577 1.00 6.80 H new ATOM 0 HA SER A 20 12.780 3.545 -6.031 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.550 3.658 -8.310 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.517 2.648 -7.253 1.00 8.57 H new ATOM 0 HG SER A 20 14.159 1.652 -9.333 1.00 11.13 H new ATOM 327 N ASP A 21 9.994 2.559 -6.872 1.00 7.50 N ATOM 328 CA ASP A 21 8.740 2.545 -7.641 1.00 7.70 C ATOM 329 C ASP A 21 7.702 3.129 -6.690 1.00 7.08 C ATOM 330 O ASP A 21 7.746 3.001 -5.419 1.00 8.11 O ATOM 331 CB ASP A 21 8.375 1.155 -8.163 1.00 11.00 C ATOM 332 CG ASP A 21 7.247 1.142 -9.221 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.317 1.917 -10.247 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.299 0.354 -9.015 1.00 14.36 O ATOM 0 H ASP A 21 9.926 2.076 -5.976 1.00 7.50 H new ATOM 0 HA ASP A 21 8.817 3.132 -8.556 1.00 7.70 H new ATOM 0 HB2 ASP A 21 9.265 0.698 -8.594 1.00 11.00 H new ATOM 0 HB3 ASP A 21 8.073 0.532 -7.321 1.00 11.00 H new ATOM 339 N THR A 22 6.600 3.669 -7.293 1.00 5.37 N ATOM 340 CA THR A 22 5.622 4.346 -6.522 1.00 6.01 C ATOM 341 C THR A 22 4.644 3.503 -5.695 1.00 8.01 C ATOM 342 O THR A 22 4.278 2.360 -6.024 1.00 8.11 O ATOM 343 CB THR A 22 4.776 5.365 -7.259 1.00 8.92 C ATOM 344 OG1 THR A 22 4.110 4.913 -8.458 1.00 10.22 O ATOM 345 CG2 THR A 22 5.699 6.495 -7.751 1.00 9.65 C ATOM 0 H THR A 22 6.408 3.627 -8.294 1.00 5.37 H new ATOM 0 HA THR A 22 6.321 4.836 -5.844 1.00 6.01 H new ATOM 0 HB THR A 22 4.012 5.641 -6.532 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.728 5.682 -8.930 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.109 7.240 -8.285 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.188 6.963 -6.897 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.454 6.083 -8.420 1.00 9.65 H new ATOM 353 N ILE A 23 4.041 4.077 -4.665 1.00 8.32 N ATOM 354 CA ILE A 23 2.901 3.604 -3.791 1.00 9.92 C ATOM 355 C ILE A 23 1.655 3.463 -4.577 1.00 10.01 C ATOM 356 O ILE A 23 0.937 2.499 -4.376 1.00 8.71 O ATOM 357 CB ILE A 23 2.591 4.520 -2.479 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.805 4.823 -1.603 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.429 3.925 -1.691 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.615 3.642 -1.212 1.00 12.30 C ATOM 0 H ILE A 23 4.353 4.999 -4.359 1.00 8.32 H new ATOM 0 HA ILE A 23 3.245 2.640 -3.415 1.00 9.92 H new ATOM 0 HB ILE A 23 2.300 5.503 -2.851 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.449 5.525 -2.133 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.463 5.325 -0.698 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.228 4.543 -0.816 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.541 3.891 -2.322 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.686 2.915 -1.371 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.452 3.964 -0.592 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.994 2.945 -0.649 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.995 3.149 -2.107 1.00 12.30 H new ATOM 372 N GLU A 24 1.422 4.427 -5.555 1.00 9.54 N ATOM 373 CA GLU A 24 0.416 4.318 -6.563 1.00 11.81 C ATOM 374 C GLU A 24 0.443 2.980 -7.368 1.00 11.14 C ATOM 375 O GLU A 24 -0.593 2.410 -7.695 1.00 10.62 O ATOM 376 CB GLU A 24 0.630 5.482 -7.578 1.00 19.24 C ATOM 377 CG GLU A 24 -0.303 5.445 -8.742 1.00 27.76 C ATOM 378 CD GLU A 24 -0.206 6.664 -9.622 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.850 7.692 -9.270 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.497 6.626 -10.668 1.00 34.80 O ATOM 0 H GLU A 24 1.963 5.289 -5.618 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.544 4.356 -6.048 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.509 6.432 -7.058 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.656 5.448 -7.945 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.094 4.557 -9.339 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.325 5.350 -8.376 1.00 27.76 H new ATOM 387 N ASN A 25 1.601 2.383 -7.632 1.00 9.43 N ATOM 388 CA ASN A 25 1.566 1.085 -8.353 1.00 10.96 C ATOM 389 C ASN A 25 1.326 -0.043 -7.345 1.00 9.68 C ATOM 390 O ASN A 25 0.843 -1.106 -7.706 1.00 9.33 O ATOM 391 CB ASN A 25 2.941 0.855 -8.950 1.00 16.78 C ATOM 392 CG ASN A 25 3.017 1.666 -10.217 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.002 2.162 -10.708 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.212 1.744 -10.840 1.00 24.70 N ATOM 0 H ASN A 25 2.525 2.735 -7.384 1.00 9.43 H new ATOM 0 HA ASN A 25 0.783 1.099 -9.112 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.720 1.159 -8.251 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.097 -0.203 -9.160 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.289 2.222 -11.738 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.038 1.325 -10.413 1.00 24.70 H new ATOM 401 N VAL A 26 1.632 0.136 -6.033 1.00 6.52 N ATOM 402 CA VAL A 26 1.298 -0.742 -4.941 1.00 5.53 C ATOM 403 C VAL A 26 -0.207 -0.884 -4.875 1.00 4.42 C ATOM 404 O VAL A 26 -0.714 -2.019 -4.824 1.00 3.40 O ATOM 405 CB VAL A 26 1.924 -0.358 -3.604 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.438 -1.220 -2.413 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.426 -0.388 -3.699 1.00 8.12 C ATOM 0 H VAL A 26 2.151 0.956 -5.718 1.00 6.52 H new ATOM 0 HA VAL A 26 1.745 -1.715 -5.146 1.00 5.53 H new ATOM 0 HB VAL A 26 1.589 0.658 -3.395 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.928 -0.886 -1.498 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.358 -1.116 -2.305 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.685 -2.266 -2.596 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.857 -0.112 -2.737 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.754 -1.392 -3.968 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.757 0.318 -4.461 1.00 8.12 H new ATOM 417 N LYS A 27 -0.971 0.217 -5.021 1.00 2.64 N ATOM 418 CA LYS A 27 -2.450 0.184 -4.982 1.00 4.14 C ATOM 419 C LYS A 27 -2.991 -0.590 -6.161 1.00 5.58 C ATOM 420 O LYS A 27 -3.927 -1.357 -6.033 1.00 4.11 O ATOM 421 CB LYS A 27 -3.056 1.619 -4.955 1.00 3.97 C ATOM 422 CG LYS A 27 -2.691 2.334 -3.652 1.00 7.45 C ATOM 423 CD LYS A 27 -3.314 3.757 -3.507 1.00 9.02 C ATOM 424 CE LYS A 27 -2.997 4.194 -2.106 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.546 5.563 -1.962 1.00 15.47 N ATOM 0 H LYS A 27 -0.585 1.150 -5.168 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.744 -0.319 -4.061 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.687 2.191 -5.806 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.140 1.564 -5.054 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.015 1.721 -2.811 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.606 2.416 -3.588 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.892 4.446 -4.238 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.391 3.733 -3.676 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.444 3.517 -1.377 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.921 4.186 -1.930 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.105 6.030 -1.144 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.344 6.110 -2.823 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.575 5.511 -1.818 1.00 15.47 H new ATOM 439 N ALA A 28 -2.352 -0.467 -7.353 1.00 6.61 N ATOM 440 CA ALA A 28 -2.672 -1.364 -8.489 1.00 7.74 C ATOM 441 C ALA A 28 -2.481 -2.829 -8.207 1.00 9.17 C ATOM 442 O ALA A 28 -3.309 -3.608 -8.631 1.00 11.45 O ATOM 443 CB ALA A 28 -1.782 -1.089 -9.754 1.00 7.68 C ATOM 0 H ALA A 28 -1.630 0.227 -7.548 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.725 -1.140 -8.661 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.062 -1.776 -10.552 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.933 -0.063 -10.089 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.732 -1.237 -9.500 1.00 7.68 H new ATOM 449 N LYS A 29 -1.436 -3.217 -7.535 1.00 8.96 N ATOM 450 CA LYS A 29 -1.236 -4.568 -7.066 1.00 7.90 C ATOM 451 C LYS A 29 -2.218 -5.058 -6.004 1.00 6.92 C ATOM 452 O LYS A 29 -2.554 -6.244 -5.971 1.00 6.87 O ATOM 453 CB LYS A 29 0.202 -4.748 -6.550 1.00 10.28 C ATOM 454 CG LYS A 29 1.285 -4.435 -7.643 1.00 14.94 C ATOM 455 CD LYS A 29 2.756 -4.400 -7.223 1.00 19.69 C ATOM 456 CE LYS A 29 3.665 -3.515 -8.085 1.00 22.63 C ATOM 457 NZ LYS A 29 3.614 -3.909 -9.500 1.00 24.98 N ATOM 0 H LYS A 29 -0.673 -2.587 -7.288 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.426 -5.186 -7.943 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.359 -4.095 -5.692 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.332 -5.772 -6.199 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.183 -5.179 -8.433 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.043 -3.468 -8.083 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.814 -4.054 -6.191 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.146 -5.418 -7.240 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.361 -2.473 -7.985 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.691 -3.584 -7.724 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.253 -3.302 -10.053 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.911 -4.901 -9.595 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.642 -3.803 -9.855 1.00 24.98 H new ATOM 471 N ILE A 30 -2.792 -4.163 -5.213 1.00 4.57 N ATOM 472 CA ILE A 30 -3.766 -4.575 -4.236 1.00 5.58 C ATOM 473 C ILE A 30 -5.096 -4.749 -4.937 1.00 7.26 C ATOM 474 O ILE A 30 -5.838 -5.651 -4.591 1.00 9.46 O ATOM 475 CB ILE A 30 -3.800 -3.487 -3.145 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.437 -3.534 -2.350 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.001 -3.745 -2.164 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.295 -2.460 -1.313 1.00 2.00 C ATOM 0 H ILE A 30 -2.598 -3.162 -5.234 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.522 -5.527 -3.765 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.932 -2.506 -3.602 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.345 -4.506 -1.866 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.613 -3.451 -3.058 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.017 -2.971 -1.397 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.937 -3.722 -2.721 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.883 -4.721 -1.693 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.332 -2.562 -0.813 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.353 -1.482 -1.791 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.096 -2.554 -0.580 1.00 2.00 H new ATOM 490 N GLN A 31 -5.404 -3.893 -5.989 1.00 7.06 N ATOM 491 CA GLN A 31 -6.592 -4.032 -6.705 1.00 8.67 C ATOM 492 C GLN A 31 -6.593 -5.305 -7.545 1.00 10.90 C ATOM 493 O GLN A 31 -7.605 -6.035 -7.535 1.00 9.63 O ATOM 494 CB GLN A 31 -6.705 -2.877 -7.753 1.00 9.12 C ATOM 495 CG GLN A 31 -8.086 -2.887 -8.472 1.00 10.76 C ATOM 496 CD GLN A 31 -8.147 -1.949 -9.739 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.244 -1.247 -10.142 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.302 -1.891 -10.365 1.00 14.76 N ATOM 0 H GLN A 31 -4.805 -3.129 -6.302 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.399 -4.036 -5.972 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.561 -1.918 -7.255 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.909 -2.976 -8.491 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.321 -3.907 -8.775 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.856 -2.579 -7.765 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.082 -2.469 -10.051 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.418 -1.268 -11.165 1.00 14.76 H new ATOM 507 N ASP A 32 -5.555 -5.650 -8.261 1.00 10.93 N ATOM 508 CA ASP A 32 -5.414 -6.858 -8.982 1.00 14.01 C ATOM 509 C ASP A 32 -5.703 -8.139 -8.101 1.00 14.04 C ATOM 510 O ASP A 32 -6.430 -9.041 -8.477 1.00 13.39 O ATOM 511 CB ASP A 32 -3.933 -6.750 -9.518 1.00 18.01 C ATOM 512 CG ASP A 32 -3.460 -8.069 -10.151 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.817 -8.235 -11.326 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.681 -8.841 -9.536 1.00 25.17 O ATOM 0 H ASP A 32 -4.739 -5.044 -8.353 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.139 -6.983 -9.786 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.870 -5.949 -10.255 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.268 -6.481 -8.698 1.00 18.01 H new ATOM 519 N LYS A 33 -5.238 -8.128 -6.866 1.00 14.22 N ATOM 520 CA LYS A 33 -5.523 -9.117 -5.877 1.00 14.00 C ATOM 521 C LYS A 33 -6.870 -9.185 -5.220 1.00 12.37 C ATOM 522 O LYS A 33 -7.619 -10.245 -5.245 1.00 12.17 O ATOM 523 CB LYS A 33 -4.453 -9.022 -4.712 1.00 18.62 C ATOM 524 CG LYS A 33 -3.238 -9.856 -5.025 1.00 24.00 C ATOM 525 CD LYS A 33 -2.419 -10.068 -3.770 1.00 27.61 C ATOM 526 CE LYS A 33 -1.125 -10.888 -3.868 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.318 -12.280 -4.361 1.00 30.06 N ATOM 0 H LYS A 33 -4.624 -7.390 -6.522 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.494 -10.019 -6.489 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.158 -7.983 -4.569 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.898 -9.359 -3.776 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.543 -10.818 -5.437 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.633 -9.361 -5.785 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.160 -9.086 -3.374 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.061 -10.550 -3.033 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.431 -10.373 -4.532 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.657 -10.925 -2.884 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.399 -12.766 -4.398 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.954 -12.791 -3.717 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.736 -12.256 -5.313 1.00 30.06 H new ATOM 541 N GLU A 34 -7.322 -8.050 -4.676 1.00 10.11 N ATOM 542 CA GLU A 34 -8.587 -8.017 -3.901 1.00 10.07 C ATOM 543 C GLU A 34 -9.753 -7.184 -4.488 1.00 9.32 C ATOM 544 O GLU A 34 -10.808 -7.108 -3.917 1.00 11.61 O ATOM 545 CB GLU A 34 -8.352 -7.398 -2.513 1.00 14.77 C ATOM 546 CG GLU A 34 -7.321 -8.084 -1.569 1.00 18.75 C ATOM 547 CD GLU A 34 -7.855 -9.318 -0.899 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.685 -9.243 0.038 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.426 -10.437 -1.281 1.00 25.19 O ATOM 0 H GLU A 34 -6.847 -7.151 -4.750 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.876 -9.068 -3.902 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.036 -6.365 -2.658 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.310 -7.368 -1.995 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.433 -8.347 -2.143 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.008 -7.372 -0.806 1.00 18.75 H new ATOM 556 N GLY A 35 -9.534 -6.544 -5.697 1.00 7.22 N ATOM 557 CA GLY A 35 -10.605 -5.884 -6.457 1.00 6.29 C ATOM 558 C GLY A 35 -10.898 -4.522 -6.022 1.00 6.93 C ATOM 559 O GLY A 35 -11.826 -3.883 -6.447 1.00 7.41 O ATOM 0 H GLY A 35 -8.618 -6.487 -6.142 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.328 -5.865 -7.511 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.513 -6.482 -6.377 1.00 6.29 H new ATOM 563 N ILE A 36 -10.077 -4.127 -4.979 1.00 5.86 N ATOM 564 CA ILE A 36 -10.253 -2.888 -4.237 1.00 6.07 C ATOM 565 C ILE A 36 -9.811 -1.775 -5.168 1.00 6.36 C ATOM 566 O ILE A 36 -8.583 -1.765 -5.373 1.00 6.18 O ATOM 567 CB ILE A 36 -9.634 -2.790 -2.838 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.030 -4.042 -1.950 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.059 -1.433 -2.135 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.105 -4.114 -0.719 1.00 9.49 C ATOM 0 H ILE A 36 -9.285 -4.683 -4.657 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.306 -2.818 -3.965 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.549 -2.792 -2.945 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.070 -3.962 -1.632 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.945 -4.958 -2.535 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.610 -1.381 -1.143 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.715 -0.590 -2.734 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.145 -1.395 -2.045 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.378 -4.975 -0.109 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.070 -4.215 -1.047 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.212 -3.203 -0.130 1.00 9.49 H new ATOM 582 N PRO A 37 -10.564 -0.874 -5.675 1.00 8.65 N ATOM 583 CA PRO A 37 -10.043 0.243 -6.532 1.00 9.18 C ATOM 584 C PRO A 37 -8.888 0.992 -5.891 1.00 9.85 C ATOM 585 O PRO A 37 -8.866 1.117 -4.652 1.00 8.51 O ATOM 586 CB PRO A 37 -11.262 1.188 -6.689 1.00 11.42 C ATOM 587 CG PRO A 37 -12.476 0.203 -6.485 1.00 9.27 C ATOM 588 CD PRO A 37 -11.979 -0.690 -5.386 1.00 8.33 C ATOM 0 HA PRO A 37 -9.649 -0.136 -7.475 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.256 1.986 -5.947 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.284 1.664 -7.669 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.386 0.732 -6.200 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.703 -0.356 -7.393 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.128 -0.234 -4.407 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.509 -1.642 -5.378 1.00 8.33 H new ATOM 596 N PRO A 38 -7.862 1.583 -6.537 1.00 8.71 N ATOM 597 CA PRO A 38 -6.931 2.502 -5.889 1.00 9.08 C ATOM 598 C PRO A 38 -7.455 3.810 -5.374 1.00 9.28 C ATOM 599 O PRO A 38 -6.734 4.478 -4.645 1.00 6.50 O ATOM 600 CB PRO A 38 -5.923 2.770 -7.011 1.00 10.31 C ATOM 601 CG PRO A 38 -6.623 2.524 -8.260 1.00 10.81 C ATOM 602 CD PRO A 38 -7.597 1.408 -7.935 1.00 12.00 C ATOM 0 HA PRO A 38 -6.568 2.042 -4.970 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.557 3.796 -6.967 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.055 2.117 -6.917 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.143 3.417 -8.606 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.933 2.231 -9.051 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.508 1.487 -8.528 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.166 0.428 -8.141 1.00 12.00 H new ATOM 610 N ASP A 39 -8.744 4.150 -5.700 1.00 11.20 N ATOM 611 CA ASP A 39 -9.328 5.397 -5.282 1.00 14.96 C ATOM 612 C ASP A 39 -9.975 5.073 -3.947 1.00 13.99 C ATOM 613 O ASP A 39 -10.669 5.926 -3.431 1.00 13.75 O ATOM 614 CB ASP A 39 -10.414 6.002 -6.224 1.00 24.16 C ATOM 615 CG ASP A 39 -9.814 6.418 -7.536 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.815 7.220 -7.679 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.377 5.857 -8.525 1.00 35.55 O ATOM 0 H ASP A 39 -9.367 3.557 -6.249 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.544 6.154 -5.265 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.201 5.268 -6.396 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.880 6.862 -5.743 1.00 24.16 H new ATOM 622 N GLN A 40 -9.845 3.834 -3.403 1.00 11.60 N ATOM 623 CA GLN A 40 -10.561 3.348 -2.264 1.00 10.76 C ATOM 624 C GLN A 40 -9.566 2.809 -1.278 1.00 8.01 C ATOM 625 O GLN A 40 -9.832 1.909 -0.475 1.00 8.96 O ATOM 626 CB GLN A 40 -11.668 2.299 -2.554 1.00 11.14 C ATOM 627 CG GLN A 40 -12.850 2.971 -3.182 1.00 14.85 C ATOM 628 CD GLN A 40 -14.058 2.090 -3.327 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.378 1.395 -2.335 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.699 2.090 -4.519 1.00 18.16 N ATOM 0 H GLN A 40 -9.202 3.141 -3.786 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.113 4.199 -1.865 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.283 1.524 -3.217 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.967 1.807 -1.629 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.119 3.841 -2.583 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.563 3.339 -4.167 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.369 2.690 -5.275 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.512 1.490 -4.661 1.00 18.16 H new ATOM 639 N GLN A 41 -8.311 3.301 -1.336 1.00 6.52 N ATOM 640 CA GLN A 41 -7.241 2.683 -0.549 1.00 3.87 C ATOM 641 C GLN A 41 -6.429 3.763 0.151 1.00 4.79 C ATOM 642 O GLN A 41 -5.835 4.649 -0.502 1.00 6.34 O ATOM 643 CB GLN A 41 -6.237 1.898 -1.417 1.00 4.20 C ATOM 644 CG GLN A 41 -6.880 0.639 -2.035 1.00 3.20 C ATOM 645 CD GLN A 41 -5.805 -0.034 -2.866 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.731 -0.382 -2.367 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.155 -0.475 -4.086 1.00 7.13 N ATOM 0 H GLN A 41 -8.026 4.100 -1.903 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.735 2.006 0.147 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.861 2.542 -2.212 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.380 1.608 -0.810 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.244 -0.032 -1.257 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.737 0.906 -2.653 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.043 -0.187 -4.497 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.533 -1.098 -4.601 1.00 7.13 H new ATOM 656 N ARG A 42 -6.339 3.714 1.477 1.00 5.73 N ATOM 657 CA ARG A 42 -5.464 4.534 2.284 1.00 6.97 C ATOM 658 C ARG A 42 -4.374 3.529 2.755 1.00 7.15 C ATOM 659 O ARG A 42 -4.672 2.540 3.443 1.00 7.33 O ATOM 660 CB ARG A 42 -6.112 5.147 3.487 1.00 13.23 C ATOM 661 CG ARG A 42 -7.360 6.022 3.134 1.00 21.27 C ATOM 662 CD ARG A 42 -7.909 6.741 4.344 1.00 26.14 C ATOM 663 NE ARG A 42 -8.829 7.888 3.938 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.390 9.050 3.480 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.092 9.334 3.444 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.274 9.900 2.937 1.00 36.39 N ATOM 0 H ARG A 42 -6.901 3.071 2.035 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.107 5.385 1.704 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.413 4.355 4.173 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.381 5.762 4.012 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.087 6.752 2.372 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.137 5.389 2.705 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.457 6.037 4.970 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.086 7.128 4.944 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.836 7.752 4.024 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.411 8.650 3.774 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.777 10.236 3.087 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.260 9.645 2.884 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.960 10.801 2.577 1.00 36.39 H new ATOM 680 N LEU A 43 -3.103 3.793 2.460 1.00 4.65 N ATOM 681 CA LEU A 43 -1.997 2.956 2.805 1.00 3.51 C ATOM 682 C LEU A 43 -1.327 3.454 4.003 1.00 5.56 C ATOM 683 O LEU A 43 -0.977 4.622 4.098 1.00 4.19 O ATOM 684 CB LEU A 43 -1.062 2.594 1.570 1.00 3.74 C ATOM 685 CG LEU A 43 -1.768 1.673 0.533 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.764 1.037 -0.358 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.648 0.609 1.085 1.00 6.41 C ATOM 0 H LEU A 43 -2.823 4.633 1.954 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.380 1.974 3.082 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.745 3.513 1.077 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.161 2.101 1.934 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.429 2.352 -0.005 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.271 0.395 -1.078 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.207 1.809 -0.889 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.075 0.439 0.239 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.082 0.035 0.266 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.062 -0.053 1.722 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.446 1.065 1.671 1.00 6.41 H new ATOM 699 N ILE A 44 -1.214 2.613 5.004 1.00 4.58 N ATOM 700 CA ILE A 44 -0.697 2.904 6.319 1.00 5.55 C ATOM 701 C ILE A 44 0.597 2.086 6.517 1.00 5.46 C ATOM 702 O ILE A 44 0.657 0.921 6.015 1.00 6.04 O ATOM 703 CB ILE A 44 -1.724 2.613 7.468 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.090 3.357 7.205 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.062 2.915 8.805 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.994 4.892 7.267 1.00 13.90 C ATOM 0 H ILE A 44 -1.502 1.639 4.913 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.493 3.973 6.378 1.00 5.55 H new ATOM 0 HB ILE A 44 -2.000 1.559 7.494 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.466 3.067 6.224 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.822 3.020 7.939 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.766 2.717 9.613 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.183 2.283 8.927 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.762 3.963 8.834 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.975 5.326 7.075 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.650 5.195 8.256 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.289 5.243 6.514 1.00 13.90 H new ATOM 718 N PHE A 45 1.649 2.666 7.093 1.00 6.75 N ATOM 719 CA PHE A 45 2.744 1.872 7.411 1.00 4.70 C ATOM 720 C PHE A 45 3.301 2.353 8.717 1.00 6.34 C ATOM 721 O PHE A 45 3.809 3.490 8.735 1.00 5.45 O ATOM 722 CB PHE A 45 3.797 1.990 6.270 1.00 5.51 C ATOM 723 CG PHE A 45 5.239 1.551 6.564 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.577 0.302 7.142 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.264 2.360 6.111 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.914 -0.076 7.328 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.581 1.953 6.280 1.00 6.64 C ATOM 728 CZ PHE A 45 7.918 0.782 6.905 1.00 6.84 C ATOM 0 H PHE A 45 1.730 3.655 7.327 1.00 6.75 H new ATOM 0 HA PHE A 45 2.463 0.823 7.509 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.437 1.405 5.423 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.825 3.031 5.949 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.789 -0.372 7.445 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.043 3.301 5.630 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.158 -1.020 7.793 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.371 2.585 5.903 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.955 0.529 7.067 1.00 6.84 H new ATOM 738 N ALA A 46 3.160 1.584 9.805 1.00 6.53 N ATOM 739 CA ALA A 46 3.485 2.089 11.139 1.00 7.15 C ATOM 740 C ALA A 46 2.794 3.412 11.531 1.00 9.00 C ATOM 741 O ALA A 46 3.419 4.309 12.022 1.00 11.15 O ATOM 742 CB ALA A 46 4.997 1.970 11.532 1.00 8.99 C ATOM 0 H ALA A 46 2.826 0.620 9.786 1.00 6.53 H new ATOM 0 HA ALA A 46 3.002 1.375 11.806 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.144 2.368 12.536 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.297 0.922 11.510 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.603 2.536 10.824 1.00 8.99 H new ATOM 748 N GLY A 47 1.516 3.495 11.287 1.00 9.35 N ATOM 749 CA GLY A 47 0.638 4.620 11.684 1.00 11.68 C ATOM 750 C GLY A 47 0.808 5.782 10.770 1.00 11.14 C ATOM 751 O GLY A 47 0.225 6.847 11.071 1.00 13.93 O ATOM 0 H GLY A 47 1.013 2.763 10.786 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.402 4.294 11.673 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.867 4.921 12.706 1.00 11.68 H new ATOM 755 N LYS A 48 1.598 5.682 9.718 1.00 10.47 N ATOM 756 CA LYS A 48 1.916 6.783 8.792 1.00 8.82 C ATOM 757 C LYS A 48 1.220 6.525 7.548 1.00 7.68 C ATOM 758 O LYS A 48 1.179 5.418 7.010 1.00 6.47 O ATOM 759 CB LYS A 48 3.385 6.796 8.474 1.00 9.74 C ATOM 760 CG LYS A 48 3.798 8.057 7.698 1.00 14.14 C ATOM 761 CD LYS A 48 5.307 7.968 7.359 1.00 16.32 C ATOM 762 CE LYS A 48 6.336 8.224 8.512 1.00 20.04 C ATOM 763 NZ LYS A 48 7.624 7.774 7.956 1.00 23.92 N ATOM 0 H LYS A 48 2.058 4.807 9.465 1.00 10.47 H new ATOM 0 HA LYS A 48 1.626 7.729 9.248 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.956 6.738 9.400 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.636 5.912 7.888 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.211 8.146 6.784 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.598 8.948 8.293 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.500 6.975 6.953 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.513 8.683 6.563 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.369 9.278 8.789 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.074 7.666 9.411 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.374 7.909 8.664 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.561 6.766 7.707 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.847 8.328 7.105 1.00 23.92 H new ATOM 777 N GLN A 49 0.483 7.596 7.064 1.00 8.89 N ATOM 778 CA GLN A 49 -0.246 7.459 5.833 1.00 7.18 C ATOM 779 C GLN A 49 0.631 7.775 4.570 1.00 8.23 C ATOM 780 O GLN A 49 1.198 8.812 4.416 1.00 9.70 O ATOM 781 CB GLN A 49 -1.545 8.274 5.802 1.00 11.67 C ATOM 782 CG GLN A 49 -2.342 8.083 4.502 1.00 15.82 C ATOM 783 CD GLN A 49 -3.571 8.930 4.486 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.688 8.483 4.750 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.345 10.232 4.160 1.00 20.67 N ATOM 0 H GLN A 49 0.407 8.506 7.518 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.525 6.406 5.793 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.168 7.987 6.649 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.308 9.331 5.924 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.713 8.335 3.648 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.620 7.034 4.395 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.398 10.548 3.950 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.122 10.891 4.125 1.00 20.67 H new ATOM 794 N LEU A 50 0.799 6.774 3.698 1.00 6.51 N ATOM 795 CA LEU A 50 1.656 6.830 2.550 1.00 7.41 C ATOM 796 C LEU A 50 1.010 7.645 1.403 1.00 8.27 C ATOM 797 O LEU A 50 -0.128 7.489 0.948 1.00 8.34 O ATOM 798 CB LEU A 50 1.991 5.401 2.051 1.00 7.13 C ATOM 799 CG LEU A 50 2.660 4.486 3.087 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.886 3.119 2.428 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.914 5.005 3.829 1.00 9.11 C ATOM 0 H LEU A 50 0.317 5.880 3.792 1.00 6.51 H new ATOM 0 HA LEU A 50 2.576 7.330 2.852 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.070 4.927 1.712 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.646 5.481 1.184 1.00 7.13 H new ATOM 0 HG LEU A 50 1.961 4.432 3.922 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.361 2.445 3.141 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.928 2.702 2.118 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.530 3.237 1.556 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.266 4.243 4.525 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.699 5.227 3.106 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.662 5.911 4.380 1.00 9.11 H new ATOM 813 N GLU A 51 1.756 8.668 0.901 1.00 9.43 N ATOM 814 CA GLU A 51 1.397 9.436 -0.303 1.00 11.90 C ATOM 815 C GLU A 51 1.770 8.742 -1.528 1.00 11.49 C ATOM 816 O GLU A 51 2.759 8.038 -1.588 1.00 9.88 O ATOM 817 CB GLU A 51 2.089 10.821 -0.307 1.00 16.56 C ATOM 818 CG GLU A 51 1.651 11.684 0.835 1.00 26.06 C ATOM 819 CD GLU A 51 0.359 12.459 0.667 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.472 13.431 -0.132 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.596 12.260 1.485 1.00 33.44 O ATOM 0 H GLU A 51 2.628 8.977 1.331 1.00 9.43 H new ATOM 0 HA GLU A 51 0.314 9.554 -0.273 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.169 10.684 -0.261 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.872 11.329 -1.246 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.552 11.051 1.717 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.448 12.398 1.043 1.00 26.06 H new ATOM 828 N ASP A 52 0.979 8.853 -2.573 1.00 12.71 N ATOM 829 CA ASP A 52 0.914 8.080 -3.816 1.00 16.56 C ATOM 830 C ASP A 52 2.102 8.161 -4.727 1.00 15.83 C ATOM 831 O ASP A 52 2.454 7.125 -5.271 1.00 17.21 O ATOM 832 CB ASP A 52 -0.312 8.630 -4.632 1.00 21.05 C ATOM 833 CG ASP A 52 -1.655 8.299 -4.030 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.955 7.112 -3.816 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.431 9.227 -3.701 1.00 25.82 O ATOM 0 H ASP A 52 0.267 9.583 -2.581 1.00 12.71 H new ATOM 0 HA ASP A 52 0.850 7.037 -3.504 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.221 9.713 -4.716 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.271 8.227 -5.644 1.00 21.05 H new ATOM 840 N GLY A 53 2.623 9.359 -4.953 1.00 15.00 N ATOM 841 CA GLY A 53 3.546 9.620 -6.009 1.00 11.77 C ATOM 842 C GLY A 53 4.970 9.558 -5.543 1.00 11.10 C ATOM 843 O GLY A 53 5.898 10.003 -6.201 1.00 11.25 O ATOM 0 H GLY A 53 2.402 10.180 -4.389 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.395 8.895 -6.809 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.345 10.605 -6.430 1.00 11.77 H new ATOM 847 N ARG A 54 5.193 9.090 -4.306 1.00 8.53 N ATOM 848 CA ARG A 54 6.474 8.858 -3.676 1.00 9.05 C ATOM 849 C ARG A 54 6.821 7.389 -3.762 1.00 8.96 C ATOM 850 O ARG A 54 5.919 6.590 -4.052 1.00 11.60 O ATOM 851 CB ARG A 54 6.506 9.305 -2.173 1.00 7.97 C ATOM 852 CG ARG A 54 5.737 10.579 -1.915 1.00 9.62 C ATOM 853 CD ARG A 54 5.990 11.236 -0.597 1.00 12.20 C ATOM 854 NE ARG A 54 5.381 12.547 -0.657 1.00 18.23 N ATOM 855 CZ ARG A 54 5.357 13.364 0.447 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.998 13.048 1.557 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.702 14.480 0.383 1.00 23.38 N ATOM 0 H ARG A 54 4.419 8.851 -3.687 1.00 8.53 H new ATOM 0 HA ARG A 54 7.205 9.463 -4.212 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.094 8.508 -1.555 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.542 9.445 -1.864 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.974 11.291 -2.706 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.672 10.360 -1.992 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.563 10.649 0.216 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.060 11.316 -0.404 1.00 12.20 H new ATOM 0 HE ARG A 54 4.964 12.869 -1.530 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.528 12.178 1.610 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.963 13.674 2.362 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.216 14.738 -0.476 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.672 15.101 1.192 1.00 23.38 H new ATOM 871 N THR A 55 8.060 7.055 -3.559 1.00 9.05 N ATOM 872 CA THR A 55 8.474 5.699 -3.715 1.00 9.03 C ATOM 873 C THR A 55 8.632 4.931 -2.420 1.00 8.15 C ATOM 874 O THR A 55 8.754 5.541 -1.328 1.00 5.91 O ATOM 875 CB THR A 55 9.769 5.594 -4.578 1.00 11.15 C ATOM 876 OG1 THR A 55 10.943 6.156 -3.979 1.00 11.95 O ATOM 877 CG2 THR A 55 9.605 6.322 -5.889 1.00 11.71 C ATOM 0 H THR A 55 8.798 7.704 -3.286 1.00 9.05 H new ATOM 0 HA THR A 55 7.650 5.218 -4.241 1.00 9.03 H new ATOM 0 HB THR A 55 9.905 4.519 -4.695 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.683 6.855 -3.343 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.522 6.233 -6.472 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.777 5.885 -6.447 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.397 7.375 -5.697 1.00 11.71 H new ATOM 885 N LEU A 56 8.770 3.634 -2.479 1.00 6.91 N ATOM 886 CA LEU A 56 9.094 2.714 -1.409 1.00 8.29 C ATOM 887 C LEU A 56 10.428 3.066 -0.680 1.00 8.05 C ATOM 888 O LEU A 56 10.410 3.151 0.551 1.00 10.17 O ATOM 889 CB LEU A 56 9.117 1.319 -1.966 1.00 6.60 C ATOM 890 CG LEU A 56 7.713 0.544 -2.073 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.773 0.962 -3.181 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.017 -0.944 -2.171 1.00 8.64 C ATOM 0 H LEU A 56 8.647 3.141 -3.364 1.00 6.91 H new ATOM 0 HA LEU A 56 8.323 2.795 -0.643 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.556 1.361 -2.963 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.786 0.720 -1.348 1.00 6.60 H new ATOM 0 HG LEU A 56 7.158 0.813 -1.175 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.866 0.358 -3.136 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.515 2.014 -3.061 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.259 0.815 -4.145 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.084 -1.502 -2.245 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.625 -1.134 -3.056 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.561 -1.264 -1.282 1.00 8.64 H new ATOM 904 N SER A 57 11.473 3.476 -1.467 1.00 8.92 N ATOM 905 CA SER A 57 12.757 4.074 -1.033 1.00 9.00 C ATOM 906 C SER A 57 12.626 5.263 -0.148 1.00 9.44 C ATOM 907 O SER A 57 13.149 5.252 0.959 1.00 10.91 O ATOM 908 CB SER A 57 13.709 4.382 -2.265 1.00 10.32 C ATOM 909 OG SER A 57 14.943 4.985 -1.900 1.00 13.59 O ATOM 0 H SER A 57 11.427 3.387 -2.482 1.00 8.92 H new ATOM 0 HA SER A 57 13.220 3.305 -0.414 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.913 3.452 -2.796 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.186 5.038 -2.961 1.00 10.32 H new ATOM 0 HG SER A 57 15.479 5.145 -2.704 1.00 13.59 H new ATOM 915 N ASP A 58 11.856 6.335 -0.565 1.00 9.11 N ATOM 916 CA ASP A 58 11.691 7.555 0.139 1.00 7.91 C ATOM 917 C ASP A 58 11.177 7.327 1.550 1.00 9.12 C ATOM 918 O ASP A 58 11.538 8.004 2.506 1.00 8.61 O ATOM 919 CB ASP A 58 10.609 8.416 -0.652 1.00 8.41 C ATOM 920 CG ASP A 58 11.137 8.852 -1.999 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.155 9.597 -1.997 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.558 8.486 -3.073 1.00 11.70 O ATOM 0 H ASP A 58 11.336 6.316 -1.442 1.00 9.11 H new ATOM 0 HA ASP A 58 12.656 8.058 0.207 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.701 7.829 -0.787 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.337 9.292 -0.064 1.00 8.41 H new ATOM 927 N TYR A 59 10.306 6.283 1.671 1.00 7.97 N ATOM 928 CA TYR A 59 9.451 6.041 2.839 1.00 8.45 C ATOM 929 C TYR A 59 10.011 4.898 3.698 1.00 10.98 C ATOM 930 O TYR A 59 9.414 4.429 4.667 1.00 12.95 O ATOM 931 CB TYR A 59 7.977 5.654 2.437 1.00 7.94 C ATOM 932 CG TYR A 59 7.015 6.784 2.418 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.708 7.534 3.551 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.247 6.989 1.215 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.871 8.631 3.492 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.396 8.041 1.141 1.00 6.52 C ATOM 937 CZ TYR A 59 5.140 8.842 2.299 1.00 6.76 C ATOM 938 OH TYR A 59 4.176 9.858 2.178 1.00 7.63 O ATOM 0 H TYR A 59 10.188 5.583 0.939 1.00 7.97 H new ATOM 0 HA TYR A 59 9.437 6.977 3.397 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.995 5.195 1.449 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.613 4.898 3.133 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.136 7.250 4.501 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.349 6.311 0.381 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.777 9.306 4.330 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.910 8.276 0.206 1.00 6.52 H new ATOM 0 HH TYR A 59 4.620 10.731 2.170 1.00 7.63 H new ATOM 948 N ASN A 60 11.234 4.391 3.428 1.00 12.38 N ATOM 949 CA ASN A 60 11.949 3.396 4.212 1.00 13.94 C ATOM 950 C ASN A 60 11.181 2.024 4.300 1.00 14.16 C ATOM 951 O ASN A 60 11.019 1.383 5.340 1.00 14.26 O ATOM 952 CB ASN A 60 12.310 3.796 5.640 1.00 19.23 C ATOM 953 CG ASN A 60 12.988 5.198 5.646 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.365 6.101 6.201 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.218 5.341 5.212 1.00 24.09 N ATOM 0 H ASN A 60 11.766 4.690 2.610 1.00 12.38 H new ATOM 0 HA ASN A 60 12.876 3.303 3.647 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.413 3.814 6.259 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.982 3.056 6.075 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.700 6.232 5.329 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.692 4.561 4.758 1.00 24.09 H new ATOM 962 N ILE A 61 10.672 1.535 3.165 1.00 11.08 N ATOM 963 CA ILE A 61 10.065 0.184 3.047 1.00 11.78 C ATOM 964 C ILE A 61 11.113 -0.725 2.439 1.00 13.74 C ATOM 965 O ILE A 61 11.602 -0.560 1.327 1.00 14.60 O ATOM 966 CB ILE A 61 8.865 0.196 2.176 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.817 1.136 2.709 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.355 -1.341 2.057 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.632 1.359 1.712 1.00 11.42 C ATOM 0 H ILE A 61 10.664 2.060 2.291 1.00 11.08 H new ATOM 0 HA ILE A 61 9.750 -0.160 4.032 1.00 11.78 H new ATOM 0 HB ILE A 61 9.096 0.575 1.180 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.426 0.741 3.647 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.280 2.097 2.935 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.470 -1.382 1.423 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.144 -1.953 1.620 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.109 -1.720 3.049 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.910 2.046 2.153 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.013 1.781 0.782 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.146 0.405 1.505 1.00 11.42 H new ATOM 981 N GLN A 62 11.581 -1.677 3.275 1.00 13.97 N ATOM 982 CA GLN A 62 12.601 -2.654 2.905 1.00 15.52 C ATOM 983 C GLN A 62 12.079 -4.029 2.730 1.00 13.94 C ATOM 984 O GLN A 62 10.899 -4.366 2.964 1.00 12.15 O ATOM 985 CB GLN A 62 13.598 -2.780 4.103 1.00 19.53 C ATOM 986 CG GLN A 62 14.038 -1.405 4.684 1.00 26.38 C ATOM 987 CD GLN A 62 14.692 -0.491 3.623 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.248 0.610 3.349 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.771 -0.986 3.065 1.00 32.71 N ATOM 0 H GLN A 62 11.251 -1.781 4.234 1.00 13.97 H new ATOM 0 HA GLN A 62 13.031 -2.301 1.968 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.133 -3.369 4.894 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.482 -3.328 3.775 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.170 -0.900 5.108 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.742 -1.568 5.500 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.102 -1.914 3.329 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.279 -0.443 2.367 1.00 32.71 H new ATOM 998 N LYS A 63 12.925 -4.981 2.216 1.00 11.73 N ATOM 999 CA LYS A 63 12.522 -6.301 1.924 1.00 11.97 C ATOM 1000 C LYS A 63 11.873 -7.044 3.061 1.00 10.41 C ATOM 1001 O LYS A 63 12.471 -7.306 4.093 1.00 9.59 O ATOM 1002 CB LYS A 63 13.817 -7.083 1.411 1.00 13.73 C ATOM 1003 CG LYS A 63 13.562 -8.540 1.016 1.00 16.98 C ATOM 1004 CD LYS A 63 14.901 -9.204 0.592 1.00 20.19 C ATOM 1005 CE LYS A 63 14.662 -10.680 0.231 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.936 -11.344 -0.110 1.00 25.97 N ATOM 0 H LYS A 63 13.907 -4.799 2.009 1.00 11.73 H new ATOM 0 HA LYS A 63 11.738 -6.245 1.169 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.229 -6.554 0.552 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.575 -7.059 2.194 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.123 -9.083 1.853 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.846 -8.586 0.196 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.325 -8.676 -0.262 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.626 -9.132 1.403 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.191 -11.193 1.069 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.974 -10.747 -0.611 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.755 -12.339 -0.351 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.371 -10.864 -0.924 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.581 -11.297 0.704 1.00 25.97 H new ATOM 1020 N GLU A 64 10.604 -7.470 2.894 1.00 10.04 N ATOM 1021 CA GLU A 64 9.766 -8.352 3.694 1.00 10.94 C ATOM 1022 C GLU A 64 9.119 -7.590 4.860 1.00 9.74 C ATOM 1023 O GLU A 64 8.575 -8.114 5.794 1.00 9.42 O ATOM 1024 CB GLU A 64 10.347 -9.774 4.033 1.00 18.31 C ATOM 1025 CG GLU A 64 10.418 -10.750 2.800 1.00 24.16 C ATOM 1026 CD GLU A 64 11.050 -12.094 3.201 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.770 -12.117 4.229 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.790 -13.100 2.530 1.00 31.72 O ATOM 0 H GLU A 64 10.083 -7.151 2.077 1.00 10.04 H new ATOM 0 HA GLU A 64 8.954 -8.659 3.035 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.348 -9.656 4.448 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.732 -10.230 4.809 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.416 -10.918 2.406 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.002 -10.292 2.002 1.00 24.16 H new ATOM 1035 N SER A 65 9.178 -6.252 4.795 1.00 6.85 N ATOM 1036 CA SER A 65 8.493 -5.303 5.596 1.00 6.90 C ATOM 1037 C SER A 65 6.954 -5.441 5.441 1.00 4.72 C ATOM 1038 O SER A 65 6.412 -5.916 4.432 1.00 3.91 O ATOM 1039 CB SER A 65 8.850 -3.839 5.283 1.00 7.28 C ATOM 1040 OG SER A 65 8.528 -2.920 6.333 1.00 10.56 O ATOM 0 H SER A 65 9.772 -5.793 4.104 1.00 6.85 H new ATOM 0 HA SER A 65 8.816 -5.529 6.612 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.918 -3.774 5.073 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.327 -3.535 4.376 1.00 7.28 H new ATOM 0 HG SER A 65 7.999 -2.180 5.969 1.00 10.56 H new ATOM 1046 N THR A 66 6.257 -5.028 6.496 1.00 4.48 N ATOM 1047 CA THR A 66 4.858 -5.243 6.617 1.00 3.80 C ATOM 1048 C THR A 66 4.154 -3.836 6.743 1.00 4.60 C ATOM 1049 O THR A 66 4.274 -3.099 7.735 1.00 5.33 O ATOM 1050 CB THR A 66 4.469 -5.941 7.869 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.826 -7.297 7.785 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.931 -6.033 8.017 1.00 3.40 C ATOM 0 H THR A 66 6.671 -4.533 7.286 1.00 4.48 H new ATOM 0 HA THR A 66 4.571 -5.837 5.749 1.00 3.80 H new ATOM 0 HB THR A 66 4.947 -5.386 8.676 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.570 -7.755 8.613 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.685 -6.550 8.945 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.507 -5.029 8.037 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.517 -6.585 7.173 1.00 3.40 H new ATOM 1060 N LEU A 67 3.271 -3.550 5.751 1.00 4.17 N ATOM 1061 CA LEU A 67 2.523 -2.330 5.646 1.00 3.85 C ATOM 1062 C LEU A 67 1.069 -2.679 5.956 1.00 3.80 C ATOM 1063 O LEU A 67 0.646 -3.843 6.014 1.00 5.54 O ATOM 1064 CB LEU A 67 2.498 -1.650 4.229 1.00 7.18 C ATOM 1065 CG LEU A 67 3.786 -1.827 3.374 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.552 -1.018 2.089 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.996 -1.223 4.115 1.00 11.66 C ATOM 0 H LEU A 67 3.074 -4.202 4.992 1.00 4.17 H new ATOM 0 HA LEU A 67 3.008 -1.628 6.325 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.654 -2.051 3.668 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.315 -0.584 4.361 1.00 7.18 H new ATOM 0 HG LEU A 67 3.985 -2.880 3.176 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.425 -1.102 1.442 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.677 -1.407 1.569 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.388 0.029 2.343 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.894 -1.351 3.510 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.823 -0.161 4.288 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.127 -1.730 5.071 1.00 11.66 H new ATOM 1079 N HIS A 68 0.233 -1.703 6.232 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.207 -1.861 6.507 1.00 4.17 C ATOM 1081 C HIS A 68 -2.134 -1.131 5.501 1.00 5.32 C ATOM 1082 O HIS A 68 -1.794 -0.072 4.962 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.501 -1.260 7.885 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.007 -2.113 8.951 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.273 -2.534 9.211 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.798 -2.838 9.838 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.247 -3.388 10.196 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.023 -3.655 10.580 1.00 16.30 N ATOM 0 H HIS A 68 0.535 -0.730 6.277 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.413 -2.929 6.436 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.039 -0.276 7.961 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.575 -1.117 8.000 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.872 -2.758 9.920 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.125 -3.826 10.647 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.329 -4.330 11.281 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.338 -1.688 5.186 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.369 -1.145 4.303 1.00 3.97 C ATOM 1098 C LEU A 69 -5.664 -0.760 5.032 1.00 5.07 C ATOM 1099 O LEU A 69 -6.467 -1.601 5.453 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.566 -2.015 3.012 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.877 -2.006 2.253 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.098 -0.679 1.529 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.869 -3.207 1.205 1.00 9.96 C ATOM 0 H LEU A 69 -3.616 -2.588 5.577 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.995 -0.188 3.940 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.788 -1.720 2.308 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.367 -3.050 3.292 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.695 -2.129 2.963 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.048 -0.709 0.996 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.116 0.133 2.256 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.288 -0.513 0.819 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.808 -3.213 0.651 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.039 -3.079 0.511 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.755 -4.152 1.736 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.030 0.555 4.992 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.213 1.148 5.585 1.00 6.26 C ATOM 1117 C VAL A 70 -8.126 1.496 4.443 1.00 9.22 C ATOM 1118 O VAL A 70 -7.793 2.107 3.424 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.845 2.313 6.477 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.059 3.037 7.026 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.049 1.635 7.687 1.00 8.54 C ATOM 0 H VAL A 70 -5.457 1.249 4.511 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.735 0.463 6.254 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.275 3.061 5.925 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.735 3.863 7.659 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.656 3.425 6.200 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.661 2.344 7.614 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.737 2.404 8.394 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.697 0.919 8.193 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.170 1.119 7.301 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.426 1.162 4.574 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.458 1.262 3.460 1.00 16.06 C ATOM 1133 C LEU A 71 -10.948 2.697 3.260 1.00 18.09 C ATOM 1134 O LEU A 71 -11.153 3.438 4.215 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.668 0.287 3.562 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.169 -1.181 3.364 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.401 -2.089 3.489 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.621 -1.524 1.914 1.00 19.57 C ATOM 0 H LEU A 71 -9.816 0.811 5.449 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.904 0.937 2.579 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.152 0.391 4.533 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.414 0.535 2.806 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.368 -1.317 4.091 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.102 -3.129 3.357 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.848 -1.962 4.475 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.129 -1.822 2.723 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.301 -2.565 1.883 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.411 -1.365 1.180 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.775 -0.877 1.682 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.259 3.099 1.959 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.902 4.395 1.743 1.00 25.83 C ATOM 1152 C ARG A 72 -13.040 4.190 0.798 1.00 27.74 C ATOM 1153 O ARG A 72 -13.029 3.259 -0.036 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.820 5.394 1.088 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.370 6.802 0.857 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.311 7.669 0.137 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.989 8.870 -0.443 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.423 9.532 -1.491 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.209 9.221 -1.920 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.067 10.570 -1.985 1.00 35.02 N ATOM 0 H ARG A 72 -11.073 2.555 1.116 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.268 4.818 2.678 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.947 5.453 1.739 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.482 4.982 0.137 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.280 6.753 0.259 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.639 7.258 1.810 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.534 7.975 0.837 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.823 7.094 -0.650 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.875 9.193 -0.054 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.683 8.476 -1.464 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.801 9.727 -2.706 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.960 10.855 -1.583 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.672 11.089 -2.770 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.104 5.022 0.883 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.298 4.808 0.114 1.00 30.76 C ATOM 1176 C LEU A 73 -15.255 5.605 -1.228 1.00 32.18 C ATOM 1177 O LEU A 73 -14.403 6.423 -1.485 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.538 5.258 0.905 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.913 4.447 2.152 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.819 5.154 3.107 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.447 3.066 1.717 1.00 29.11 C ATOM 0 H LEU A 73 -14.135 5.844 1.486 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.357 3.741 -0.099 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.385 6.293 1.210 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.392 5.248 0.227 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.004 4.310 2.737 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.030 4.505 3.957 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.337 6.066 3.458 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.752 5.407 2.604 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.715 2.485 2.599 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.327 3.198 1.088 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.676 2.538 1.156 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.083 5.172 -2.207 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.094 5.710 -3.602 1.00 35.33 C ATOM 1195 C ARG A 74 -16.473 7.176 -3.642 1.00 36.22 C ATOM 1196 O ARG A 74 -15.809 8.028 -4.285 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.947 4.776 -4.567 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.994 5.298 -5.986 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.867 4.405 -6.894 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.269 2.993 -6.971 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.379 2.510 -7.869 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.778 3.343 -8.723 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.968 1.259 -7.853 1.00 41.93 N ATOM 0 H ARG A 74 -16.771 4.434 -2.057 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.077 5.683 -3.994 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.521 3.773 -4.566 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.963 4.691 -4.181 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.388 6.314 -5.987 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.982 5.348 -6.389 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.883 4.358 -6.503 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.929 4.838 -7.892 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.582 2.337 -6.256 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.990 4.340 -8.697 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.107 2.982 -9.401 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.322 0.615 -7.146 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.296 0.934 -8.548 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.569 7.567 -2.924 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.080 8.880 -2.777 1.00 36.07 C ATOM 1219 C GLY A 75 -17.448 9.776 -1.741 1.00 36.16 C ATOM 1220 O GLY A 75 -17.960 10.907 -1.444 1.00 36.26 O ATOM 0 H GLY A 75 -18.129 6.886 -2.411 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.000 9.379 -3.743 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.142 8.801 -2.546 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.293 9.341 -1.108 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.641 10.010 -0.072 1.00 36.19 C ATOM 1226 C GLY A 76 -14.141 9.932 -0.279 1.00 36.20 C ATOM 1227 O GLY A 76 -13.657 10.509 -1.262 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.443 9.343 0.555 1.00 0.00 O ATOM 0 H GLY A 76 -15.828 8.471 -1.368 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.960 11.052 -0.041 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.909 9.566 0.887 1.00 36.19 H new TER 1232 GLY A 76