USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 138:sc= 1.27 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.11 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= 0.409 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.49 K(o=0.9,f=-3.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 150:sc= 1.7 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.237 (180deg=-0.238) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.27 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -109:sc= 0.937 (180deg=-1.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.307 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00357 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00315) USER MOD Single : A 31 GLN : amide:sc= -0.8 K(o=-0.8,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= 0.345 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.29 K(o=0.29,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0909 K(o=0.091,f=-2.1) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.247 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.766 -7.347 -4.910 1.00 9.67 N ATOM 2 CA MET A 1 11.634 -7.823 -3.540 1.00 10.38 C ATOM 3 C MET A 1 10.175 -8.075 -3.205 1.00 9.62 C ATOM 4 O MET A 1 9.237 -7.868 -3.983 1.00 9.62 O ATOM 5 CB MET A 1 12.247 -6.794 -2.558 1.00 13.77 C ATOM 6 CG MET A 1 11.457 -5.485 -2.342 1.00 16.29 C ATOM 7 SD MET A 1 12.427 -4.172 -1.447 1.00 17.17 S ATOM 8 CE MET A 1 10.925 -3.171 -1.154 1.00 16.11 C ATOM 0 H1 MET A 1 12.752 -7.067 -5.087 1.00 9.67 H new ATOM 0 H2 MET A 1 11.498 -8.106 -5.569 1.00 9.67 H new ATOM 0 H3 MET A 1 11.142 -6.528 -5.054 1.00 9.67 H new ATOM 0 HA MET A 1 12.175 -8.764 -3.442 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.372 -7.280 -1.590 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.244 -6.535 -2.915 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.142 -5.096 -3.310 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.551 -5.705 -1.777 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.194 -2.258 -0.623 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.467 -2.914 -2.109 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.217 -3.744 -0.555 1.00 16.11 H new ATOM 20 N GLN A 2 9.864 -8.550 -1.987 1.00 9.27 N ATOM 21 CA GLN A 2 8.485 -8.795 -1.553 1.00 9.07 C ATOM 22 C GLN A 2 8.147 -7.875 -0.361 1.00 8.72 C ATOM 23 O GLN A 2 9.026 -7.456 0.382 1.00 8.22 O ATOM 24 CB GLN A 2 8.126 -10.282 -1.270 1.00 14.46 C ATOM 25 CG GLN A 2 8.441 -11.200 -2.455 1.00 17.01 C ATOM 26 CD GLN A 2 8.144 -12.647 -2.211 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.087 -13.206 -2.642 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.001 -13.338 -1.415 1.00 19.49 N ATOM 0 H GLN A 2 10.563 -8.774 -1.279 1.00 9.27 H new ATOM 0 HA GLN A 2 7.851 -8.546 -2.404 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.676 -10.624 -0.394 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.065 -10.356 -1.029 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.869 -10.865 -3.321 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.496 -11.096 -2.710 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.849 -12.890 -1.069 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.796 -14.305 -1.163 1.00 19.49 H new ATOM 37 N ILE A 3 6.859 -7.465 -0.252 1.00 5.87 N ATOM 38 CA ILE A 3 6.350 -6.701 0.837 1.00 5.07 C ATOM 39 C ILE A 3 5.024 -7.298 1.231 1.00 4.01 C ATOM 40 O ILE A 3 4.321 -7.913 0.445 1.00 4.61 O ATOM 41 CB ILE A 3 6.081 -5.227 0.606 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.053 -4.854 -0.491 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.453 -4.499 0.427 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.641 -3.325 -0.587 1.00 10.83 C ATOM 0 H ILE A 3 6.153 -7.680 -0.956 1.00 5.87 H new ATOM 0 HA ILE A 3 7.145 -6.746 1.581 1.00 5.07 H new ATOM 0 HB ILE A 3 5.561 -4.874 1.497 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.458 -5.159 -1.456 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.149 -5.441 -0.325 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.282 -3.436 0.259 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.056 -4.632 1.326 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.980 -4.921 -0.429 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.918 -3.193 -1.392 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.196 -3.008 0.356 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.526 -2.722 -0.792 1.00 10.83 H new ATOM 56 N PHE A 4 4.604 -7.139 2.520 1.00 4.55 N ATOM 57 CA PHE A 4 3.405 -7.803 3.042 1.00 4.68 C ATOM 58 C PHE A 4 2.415 -6.685 3.341 1.00 5.30 C ATOM 59 O PHE A 4 2.789 -5.631 3.900 1.00 5.58 O ATOM 60 CB PHE A 4 3.685 -8.553 4.388 1.00 4.83 C ATOM 61 CG PHE A 4 4.642 -9.671 4.211 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.465 -10.650 3.226 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.830 -9.769 5.038 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.321 -11.712 3.102 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.732 -10.761 4.860 1.00 10.61 C ATOM 66 CZ PHE A 4 6.444 -11.821 3.934 1.00 8.90 C ATOM 0 H PHE A 4 5.087 -6.555 3.203 1.00 4.55 H new ATOM 0 HA PHE A 4 3.047 -8.535 2.318 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.081 -7.849 5.120 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.748 -8.938 4.790 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.631 -10.566 2.545 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.998 -9.035 5.812 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.129 -12.471 2.358 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.662 -10.756 5.410 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.084 -12.690 3.880 1.00 8.90 H new ATOM 76 N VAL A 5 1.129 -6.837 3.003 1.00 4.44 N ATOM 77 CA VAL A 5 0.110 -5.786 3.214 1.00 3.87 C ATOM 78 C VAL A 5 -0.959 -6.453 3.995 1.00 4.93 C ATOM 79 O VAL A 5 -1.419 -7.541 3.711 1.00 6.84 O ATOM 80 CB VAL A 5 -0.403 -5.330 1.891 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.602 -4.345 2.027 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.790 -4.673 1.112 1.00 9.13 C ATOM 0 H VAL A 5 0.760 -7.687 2.576 1.00 4.44 H new ATOM 0 HA VAL A 5 0.497 -4.908 3.731 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.788 -6.188 1.340 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.939 -4.043 1.035 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.420 -4.838 2.553 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.288 -3.465 2.588 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.443 -4.329 0.138 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.173 -3.826 1.681 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.584 -5.407 0.976 1.00 9.13 H new ATOM 92 N LYS A 6 -1.301 -5.827 5.130 1.00 6.04 N ATOM 93 CA LYS A 6 -2.141 -6.439 6.148 1.00 6.12 C ATOM 94 C LYS A 6 -3.418 -5.561 6.360 1.00 6.57 C ATOM 95 O LYS A 6 -3.384 -4.366 6.575 1.00 5.76 O ATOM 96 CB LYS A 6 -1.276 -6.467 7.474 1.00 7.45 C ATOM 97 CG LYS A 6 -1.798 -7.311 8.626 1.00 11.12 C ATOM 98 CD LYS A 6 -0.751 -7.565 9.667 1.00 14.54 C ATOM 99 CE LYS A 6 -1.179 -8.089 11.058 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.953 -9.389 10.991 1.00 20.55 N ATOM 0 H LYS A 6 -0.998 -4.881 5.361 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.460 -7.442 5.864 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.278 -6.824 7.219 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.167 -5.442 7.828 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.649 -6.808 9.085 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.161 -8.263 8.240 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.042 -8.281 9.251 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.209 -6.632 9.821 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.291 -8.233 11.674 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.791 -7.334 11.552 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.212 -9.689 11.953 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.816 -9.250 10.428 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.363 -10.122 10.547 1.00 20.55 H new ATOM 114 N THR A 7 -4.563 -6.202 6.145 1.00 7.41 N ATOM 115 CA THR A 7 -5.888 -5.607 5.858 1.00 7.48 C ATOM 116 C THR A 7 -6.644 -5.355 7.173 1.00 8.75 C ATOM 117 O THR A 7 -6.171 -5.701 8.240 1.00 8.58 O ATOM 118 CB THR A 7 -6.678 -6.385 4.836 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.186 -7.652 5.349 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.699 -6.610 3.648 1.00 9.17 C ATOM 0 H THR A 7 -4.605 -7.221 6.166 1.00 7.41 H new ATOM 0 HA THR A 7 -5.733 -4.639 5.381 1.00 7.48 H new ATOM 0 HB THR A 7 -7.571 -5.833 4.541 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.025 -7.876 4.895 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.204 -7.172 2.862 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.376 -5.646 3.255 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.830 -7.170 3.994 1.00 9.17 H new ATOM 128 N LEU A 8 -7.905 -4.860 6.995 1.00 9.84 N ATOM 129 CA LEU A 8 -8.893 -4.851 8.094 1.00 14.15 C ATOM 130 C LEU A 8 -9.743 -6.092 8.089 1.00 17.37 C ATOM 131 O LEU A 8 -10.585 -6.385 8.926 1.00 17.01 O ATOM 132 CB LEU A 8 -9.827 -3.707 7.986 1.00 16.63 C ATOM 133 CG LEU A 8 -9.162 -2.339 7.906 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.201 -1.310 7.518 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.406 -1.922 9.156 1.00 18.59 C ATOM 0 H LEU A 8 -8.247 -4.472 6.116 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.304 -4.786 9.009 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.447 -3.846 7.100 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.495 -3.720 8.847 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.389 -2.409 7.141 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.735 -0.327 7.458 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.626 -1.570 6.548 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.992 -1.291 8.268 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.967 -0.936 9.004 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.093 -1.887 10.002 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.615 -2.643 9.360 1.00 18.59 H new ATOM 147 N THR A 9 -9.529 -7.000 7.110 1.00 18.33 N ATOM 148 CA THR A 9 -10.416 -8.163 6.911 1.00 19.24 C ATOM 149 C THR A 9 -9.714 -9.369 7.570 1.00 19.48 C ATOM 150 O THR A 9 -10.192 -10.500 7.409 1.00 23.14 O ATOM 151 CB THR A 9 -10.715 -8.490 5.486 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.606 -8.527 4.645 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.582 -7.362 5.034 1.00 19.70 C ATOM 0 H THR A 9 -8.753 -6.948 6.450 1.00 18.33 H new ATOM 0 HA THR A 9 -11.382 -7.923 7.355 1.00 19.24 H new ATOM 0 HB THR A 9 -11.153 -9.487 5.435 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.893 -8.749 3.735 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.858 -7.511 3.990 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.483 -7.328 5.646 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.039 -6.422 5.135 1.00 19.70 H new ATOM 161 N GLY A 10 -8.601 -9.154 8.248 1.00 19.43 N ATOM 162 CA GLY A 10 -7.765 -10.195 8.855 1.00 18.74 C ATOM 163 C GLY A 10 -6.680 -10.738 7.940 1.00 17.62 C ATOM 164 O GLY A 10 -5.843 -11.558 8.314 1.00 19.74 O ATOM 0 H GLY A 10 -8.233 -8.215 8.402 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.298 -9.792 9.753 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.404 -11.020 9.171 1.00 18.74 H new ATOM 168 N LYS A 11 -6.685 -10.365 6.682 1.00 13.56 N ATOM 169 CA LYS A 11 -5.900 -11.020 5.680 1.00 11.91 C ATOM 170 C LYS A 11 -4.497 -10.417 5.554 1.00 10.18 C ATOM 171 O LYS A 11 -4.277 -9.225 5.772 1.00 9.10 O ATOM 172 CB LYS A 11 -6.572 -10.812 4.309 1.00 13.43 C ATOM 173 CG LYS A 11 -5.924 -11.498 3.142 1.00 16.69 C ATOM 174 CD LYS A 11 -6.938 -11.352 1.949 1.00 17.92 C ATOM 175 CE LYS A 11 -6.836 -12.327 0.783 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.954 -12.110 -0.189 1.00 21.93 N ATOM 0 H LYS A 11 -7.243 -9.588 6.328 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.827 -12.068 5.969 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.604 -11.155 4.378 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.605 -9.742 4.102 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.966 -11.039 2.900 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.728 -12.547 3.364 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.945 -11.430 2.359 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.834 -10.344 1.548 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.879 -12.199 0.278 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.865 -13.351 1.155 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.622 -12.905 -0.133 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.449 -11.225 0.043 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.569 -12.049 -1.153 1.00 21.93 H new ATOM 190 N THR A 12 -3.460 -11.213 5.234 1.00 9.63 N ATOM 191 CA THR A 12 -2.121 -10.688 4.895 1.00 9.85 C ATOM 192 C THR A 12 -2.037 -11.056 3.469 1.00 11.66 C ATOM 193 O THR A 12 -2.201 -12.234 3.139 1.00 12.33 O ATOM 194 CB THR A 12 -0.938 -11.274 5.654 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.208 -11.291 7.027 1.00 10.91 O ATOM 196 CG2 THR A 12 0.273 -10.463 5.337 1.00 9.63 C ATOM 0 H THR A 12 -3.524 -12.231 5.203 1.00 9.63 H new ATOM 0 HA THR A 12 -2.044 -9.631 5.150 1.00 9.85 H new ATOM 0 HB THR A 12 -0.760 -12.306 5.350 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.442 -11.671 7.506 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.132 -10.868 5.872 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.464 -10.498 4.264 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.109 -9.430 5.643 1.00 9.63 H new ATOM 204 N ILE A 13 -1.795 -10.062 2.593 1.00 10.42 N ATOM 205 CA ILE A 13 -1.483 -10.229 1.185 1.00 11.84 C ATOM 206 C ILE A 13 -0.004 -9.938 0.918 1.00 10.55 C ATOM 207 O ILE A 13 0.630 -9.105 1.570 1.00 11.92 O ATOM 208 CB ILE A 13 -2.319 -9.439 0.185 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.314 -7.899 0.265 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.794 -10.002 0.258 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.261 -7.063 -0.595 1.00 16.46 C ATOM 0 H ILE A 13 -1.816 -9.082 2.873 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.740 -11.273 1.008 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.832 -9.597 -0.777 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.507 -7.633 1.304 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.300 -7.571 0.035 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.426 -9.460 -0.446 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.792 -11.062 0.002 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.183 -9.873 1.268 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.100 -6.005 -0.390 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.067 -7.262 -1.649 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.293 -7.325 -0.360 1.00 16.46 H new ATOM 223 N THR A 14 0.639 -10.667 -0.025 1.00 9.39 N ATOM 224 CA THR A 14 2.074 -10.516 -0.341 1.00 9.63 C ATOM 225 C THR A 14 2.152 -9.935 -1.736 1.00 11.20 C ATOM 226 O THR A 14 1.540 -10.422 -2.677 1.00 11.63 O ATOM 227 CB THR A 14 2.830 -11.873 -0.365 1.00 10.38 C ATOM 228 OG1 THR A 14 2.718 -12.467 0.900 1.00 16.30 O ATOM 229 CG2 THR A 14 4.335 -11.606 -0.549 1.00 11.66 C ATOM 0 H THR A 14 0.173 -11.378 -0.588 1.00 9.39 H new ATOM 0 HA THR A 14 2.532 -9.890 0.424 1.00 9.63 H new ATOM 0 HB THR A 14 2.420 -12.495 -1.161 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.421 -12.120 1.488 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.873 -12.554 -0.567 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.499 -11.078 -1.488 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.700 -10.997 0.278 1.00 11.66 H new ATOM 237 N LEU A 15 2.921 -8.834 -1.892 1.00 8.29 N ATOM 238 CA LEU A 15 2.992 -8.142 -3.175 1.00 9.03 C ATOM 239 C LEU A 15 4.373 -8.226 -3.695 1.00 8.59 C ATOM 240 O LEU A 15 5.342 -8.171 -2.941 1.00 7.79 O ATOM 241 CB LEU A 15 2.542 -6.651 -3.181 1.00 11.08 C ATOM 242 CG LEU A 15 1.184 -6.201 -2.472 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.116 -4.719 -2.236 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.045 -6.628 -3.255 1.00 15.27 C ATOM 0 H LEU A 15 3.488 -8.420 -1.152 1.00 8.29 H new ATOM 0 HA LEU A 15 2.270 -8.658 -3.808 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.347 -6.072 -2.727 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.476 -6.341 -4.224 1.00 11.08 H new ATOM 0 HG LEU A 15 1.189 -6.710 -1.508 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.172 -4.471 -1.752 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.943 -4.414 -1.595 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.184 -4.195 -3.190 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.943 -6.298 -2.732 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.018 -6.179 -4.248 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.058 -7.714 -3.349 1.00 15.27 H new ATOM 256 N GLU A 16 4.649 -8.402 -4.967 1.00 11.04 N ATOM 257 CA GLU A 16 6.006 -8.397 -5.557 1.00 11.50 C ATOM 258 C GLU A 16 6.327 -6.925 -6.078 1.00 10.13 C ATOM 259 O GLU A 16 5.634 -6.450 -7.022 1.00 9.83 O ATOM 260 CB GLU A 16 6.089 -9.346 -6.748 1.00 17.22 C ATOM 261 CG GLU A 16 6.063 -10.851 -6.423 1.00 23.33 C ATOM 262 CD GLU A 16 5.921 -11.579 -7.710 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.960 -11.861 -8.364 1.00 28.90 O ATOM 264 OE2 GLU A 16 4.808 -11.970 -8.087 1.00 28.86 O ATOM 0 H GLU A 16 3.919 -8.560 -5.662 1.00 11.04 H new ATOM 0 HA GLU A 16 6.717 -8.717 -4.795 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.259 -9.126 -7.419 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.007 -9.130 -7.295 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.978 -11.149 -5.912 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.234 -11.086 -5.755 1.00 23.33 H new ATOM 271 N VAL A 17 7.295 -6.209 -5.477 1.00 8.99 N ATOM 272 CA VAL A 17 7.626 -4.840 -5.642 1.00 8.85 C ATOM 273 C VAL A 17 9.080 -4.636 -5.739 1.00 8.04 C ATOM 274 O VAL A 17 9.894 -5.443 -5.269 1.00 8.99 O ATOM 275 CB VAL A 17 7.125 -3.910 -4.523 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.631 -4.098 -4.160 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.912 -4.220 -3.209 1.00 10.54 C ATOM 0 H VAL A 17 7.912 -6.653 -4.797 1.00 8.99 H new ATOM 0 HA VAL A 17 7.115 -4.575 -6.568 1.00 8.85 H new ATOM 0 HB VAL A 17 7.273 -2.899 -4.904 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.360 -3.405 -3.364 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.016 -3.901 -5.038 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.464 -5.121 -3.823 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.562 -3.564 -2.412 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.748 -5.259 -2.923 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.976 -4.053 -3.374 1.00 10.54 H new ATOM 287 N GLU A 18 9.491 -3.439 -6.229 1.00 7.29 N ATOM 288 CA GLU A 18 10.844 -2.975 -6.228 1.00 7.08 C ATOM 289 C GLU A 18 10.706 -1.731 -5.353 1.00 6.45 C ATOM 290 O GLU A 18 9.655 -1.117 -5.173 1.00 5.28 O ATOM 291 CB GLU A 18 11.397 -2.586 -7.641 1.00 10.28 C ATOM 292 CG GLU A 18 11.522 -3.799 -8.638 1.00 12.65 C ATOM 293 CD GLU A 18 12.565 -4.858 -8.458 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.604 -4.573 -7.814 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.452 -5.992 -9.032 1.00 18.17 O ATOM 0 H GLU A 18 8.843 -2.769 -6.644 1.00 7.29 H new ATOM 0 HA GLU A 18 11.547 -3.735 -5.888 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.743 -1.834 -8.081 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.377 -2.125 -7.521 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.556 -4.304 -8.644 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.668 -3.377 -9.633 1.00 12.65 H new ATOM 302 N PRO A 19 11.697 -1.224 -4.648 1.00 7.24 N ATOM 303 CA PRO A 19 11.541 -0.033 -3.776 1.00 7.07 C ATOM 304 C PRO A 19 11.411 1.190 -4.648 1.00 6.65 C ATOM 305 O PRO A 19 11.061 2.270 -4.143 1.00 6.37 O ATOM 306 CB PRO A 19 12.877 -0.060 -3.045 1.00 7.61 C ATOM 307 CG PRO A 19 13.885 -0.668 -4.051 1.00 8.16 C ATOM 308 CD PRO A 19 13.111 -1.732 -4.816 1.00 7.49 C ATOM 0 HA PRO A 19 10.676 -0.024 -3.113 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.180 0.943 -2.743 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.816 -0.661 -2.138 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.273 0.095 -4.726 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.741 -1.102 -3.534 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.409 -1.788 -5.863 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.246 -2.727 -4.392 1.00 7.49 H new ATOM 316 N SER A 20 11.593 1.100 -5.974 1.00 6.80 N ATOM 317 CA SER A 20 11.560 2.179 -7.003 1.00 6.28 C ATOM 318 C SER A 20 10.134 2.470 -7.314 1.00 8.45 C ATOM 319 O SER A 20 9.839 3.551 -7.843 1.00 7.26 O ATOM 320 CB SER A 20 12.395 1.756 -8.161 1.00 8.57 C ATOM 321 OG SER A 20 12.076 0.454 -8.726 1.00 11.13 O ATOM 0 H SER A 20 11.785 0.195 -6.403 1.00 6.80 H new ATOM 0 HA SER A 20 11.994 3.118 -6.660 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.301 2.506 -8.947 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.440 1.751 -7.850 1.00 8.57 H new ATOM 0 HG SER A 20 12.675 0.268 -9.479 1.00 11.13 H new ATOM 327 N ASP A 21 9.227 1.517 -6.998 1.00 7.50 N ATOM 328 CA ASP A 21 7.813 1.536 -7.273 1.00 7.70 C ATOM 329 C ASP A 21 7.086 2.589 -6.428 1.00 7.08 C ATOM 330 O ASP A 21 7.463 2.862 -5.252 1.00 8.11 O ATOM 331 CB ASP A 21 7.153 0.131 -7.068 1.00 11.00 C ATOM 332 CG ASP A 21 7.632 -0.871 -8.044 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.846 -0.428 -9.217 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.713 -2.066 -7.810 1.00 14.36 O ATOM 0 H ASP A 21 9.506 0.665 -6.511 1.00 7.50 H new ATOM 0 HA ASP A 21 7.710 1.805 -8.324 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.364 -0.221 -6.058 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.071 0.227 -7.153 1.00 11.00 H new ATOM 339 N THR A 22 6.020 3.231 -6.935 1.00 5.37 N ATOM 340 CA THR A 22 5.303 4.247 -6.234 1.00 6.01 C ATOM 341 C THR A 22 4.214 3.580 -5.381 1.00 8.01 C ATOM 342 O THR A 22 3.855 2.425 -5.595 1.00 8.11 O ATOM 343 CB THR A 22 4.681 5.300 -7.214 1.00 8.92 C ATOM 344 OG1 THR A 22 3.682 4.783 -8.068 1.00 10.22 O ATOM 345 CG2 THR A 22 5.693 6.036 -8.095 1.00 9.65 C ATOM 0 H THR A 22 5.645 3.036 -7.863 1.00 5.37 H new ATOM 0 HA THR A 22 5.995 4.791 -5.591 1.00 6.01 H new ATOM 0 HB THR A 22 4.237 6.005 -6.511 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.457 5.450 -8.749 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.169 6.743 -8.738 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.400 6.575 -7.464 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.231 5.315 -8.711 1.00 9.65 H new ATOM 353 N ILE A 23 3.618 4.298 -4.417 1.00 8.32 N ATOM 354 CA ILE A 23 2.457 3.771 -3.733 1.00 9.92 C ATOM 355 C ILE A 23 1.314 3.695 -4.721 1.00 10.01 C ATOM 356 O ILE A 23 0.439 2.773 -4.583 1.00 8.71 O ATOM 357 CB ILE A 23 2.161 4.666 -2.476 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.386 4.936 -1.565 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.921 4.238 -1.597 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.034 3.669 -0.983 1.00 12.30 C ATOM 0 H ILE A 23 3.921 5.222 -4.108 1.00 8.32 H new ATOM 0 HA ILE A 23 2.619 2.760 -3.360 1.00 9.92 H new ATOM 0 HB ILE A 23 1.889 5.604 -2.960 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.135 5.483 -2.137 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.077 5.582 -0.743 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.814 4.927 -0.759 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.017 4.264 -2.206 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.075 3.227 -1.219 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.883 3.948 -0.359 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.302 3.130 -0.381 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.377 3.029 -1.796 1.00 12.30 H new ATOM 372 N GLU A 24 1.140 4.569 -5.702 1.00 9.54 N ATOM 373 CA GLU A 24 0.134 4.364 -6.731 1.00 11.81 C ATOM 374 C GLU A 24 0.291 3.009 -7.469 1.00 11.14 C ATOM 375 O GLU A 24 -0.693 2.358 -7.755 1.00 10.62 O ATOM 376 CB GLU A 24 0.239 5.583 -7.762 1.00 19.24 C ATOM 377 CG GLU A 24 -0.709 5.591 -8.979 1.00 27.76 C ATOM 378 CD GLU A 24 -0.670 6.948 -9.631 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.422 7.604 -9.686 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.737 7.377 -10.149 1.00 34.80 O ATOM 0 H GLU A 24 1.683 5.426 -5.806 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.848 4.331 -6.260 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.074 6.505 -7.205 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.262 5.615 -8.136 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.410 4.823 -9.693 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.726 5.355 -8.664 1.00 27.76 H new ATOM 387 N ASN A 25 1.542 2.662 -7.788 1.00 9.43 N ATOM 388 CA ASN A 25 1.920 1.338 -8.281 1.00 10.96 C ATOM 389 C ASN A 25 1.566 0.137 -7.370 1.00 9.68 C ATOM 390 O ASN A 25 0.947 -0.876 -7.763 1.00 9.33 O ATOM 391 CB ASN A 25 3.395 1.085 -8.865 1.00 16.78 C ATOM 392 CG ASN A 25 3.910 2.078 -9.870 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.991 2.606 -9.697 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.175 2.472 -10.922 1.00 24.70 N ATOM 0 H ASN A 25 2.331 3.304 -7.709 1.00 9.43 H new ATOM 0 HA ASN A 25 1.257 1.381 -9.145 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.091 1.059 -8.027 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.413 0.097 -9.325 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.528 3.195 -11.549 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.263 2.048 -11.095 1.00 24.70 H new ATOM 401 N VAL A 26 1.871 0.280 -6.108 1.00 6.52 N ATOM 402 CA VAL A 26 1.382 -0.624 -5.080 1.00 5.53 C ATOM 403 C VAL A 26 -0.110 -0.706 -5.004 1.00 4.42 C ATOM 404 O VAL A 26 -0.727 -1.783 -4.970 1.00 3.40 O ATOM 405 CB VAL A 26 1.980 -0.229 -3.765 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.359 -0.931 -2.544 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.402 -0.609 -3.846 1.00 8.12 C ATOM 0 H VAL A 26 2.468 1.028 -5.754 1.00 6.52 H new ATOM 0 HA VAL A 26 1.699 -1.632 -5.349 1.00 5.53 H new ATOM 0 HB VAL A 26 1.804 0.836 -3.613 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.852 -0.585 -1.636 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.296 -0.697 -2.491 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.488 -2.009 -2.639 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.902 -0.347 -2.914 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.483 -1.683 -4.012 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.874 -0.078 -4.672 1.00 8.12 H new ATOM 417 N LYS A 27 -0.876 0.409 -5.061 1.00 2.64 N ATOM 418 CA LYS A 27 -2.383 0.305 -5.058 1.00 4.14 C ATOM 419 C LYS A 27 -2.999 -0.322 -6.324 1.00 5.58 C ATOM 420 O LYS A 27 -3.943 -1.033 -6.223 1.00 4.11 O ATOM 421 CB LYS A 27 -3.081 1.722 -4.887 1.00 3.97 C ATOM 422 CG LYS A 27 -2.674 2.349 -3.549 1.00 7.45 C ATOM 423 CD LYS A 27 -3.174 3.806 -3.385 1.00 9.02 C ATOM 424 CE LYS A 27 -2.965 4.306 -1.953 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.600 5.617 -1.774 1.00 15.47 N ATOM 0 H LYS A 27 -0.510 1.360 -5.108 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.571 -0.352 -4.209 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.794 2.379 -5.708 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.164 1.611 -4.931 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.069 1.742 -2.735 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.588 2.332 -3.462 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.643 4.456 -4.081 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.232 3.861 -3.641 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.385 3.591 -1.246 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.899 4.378 -1.738 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.692 5.823 -0.759 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.016 6.350 -2.224 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.543 5.609 -2.212 1.00 15.47 H new ATOM 439 N ALA A 28 -2.302 -0.199 -7.482 1.00 6.61 N ATOM 440 CA ALA A 28 -2.533 -1.046 -8.644 1.00 7.74 C ATOM 441 C ALA A 28 -2.351 -2.525 -8.378 1.00 9.17 C ATOM 442 O ALA A 28 -3.082 -3.339 -8.948 1.00 11.45 O ATOM 443 CB ALA A 28 -1.756 -0.606 -9.822 1.00 7.68 C ATOM 0 H ALA A 28 -1.567 0.495 -7.620 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.590 -0.917 -8.876 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.962 -1.269 -10.662 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.040 0.413 -10.085 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.692 -0.637 -9.588 1.00 7.68 H new ATOM 449 N LYS A 29 -1.367 -2.946 -7.548 1.00 8.96 N ATOM 450 CA LYS A 29 -1.025 -4.325 -7.232 1.00 7.90 C ATOM 451 C LYS A 29 -2.087 -4.941 -6.296 1.00 6.92 C ATOM 452 O LYS A 29 -2.500 -6.100 -6.407 1.00 6.87 O ATOM 453 CB LYS A 29 0.309 -4.383 -6.544 1.00 10.28 C ATOM 454 CG LYS A 29 1.434 -4.065 -7.544 1.00 14.94 C ATOM 455 CD LYS A 29 2.838 -4.081 -6.919 1.00 19.69 C ATOM 456 CE LYS A 29 3.747 -3.002 -7.568 1.00 22.63 C ATOM 457 NZ LYS A 29 3.816 -2.993 -9.060 1.00 24.98 N ATOM 0 H LYS A 29 -0.765 -2.282 -7.061 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.987 -4.887 -8.165 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.333 -3.671 -5.719 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.463 -5.373 -6.115 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.400 -4.789 -8.358 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.252 -3.084 -7.982 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.765 -3.903 -5.846 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.287 -5.066 -7.049 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.402 -2.022 -7.237 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.758 -3.131 -7.181 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.478 -2.254 -9.372 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.147 -3.919 -9.398 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.872 -2.800 -9.450 1.00 24.98 H new ATOM 471 N ILE A 30 -2.605 -4.155 -5.339 1.00 4.57 N ATOM 472 CA ILE A 30 -3.705 -4.466 -4.438 1.00 5.58 C ATOM 473 C ILE A 30 -5.000 -4.606 -5.103 1.00 7.26 C ATOM 474 O ILE A 30 -5.842 -5.498 -4.894 1.00 9.46 O ATOM 475 CB ILE A 30 -3.695 -3.506 -3.260 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.383 -3.547 -2.514 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.900 -3.779 -2.289 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.185 -2.456 -1.442 1.00 2.00 C ATOM 0 H ILE A 30 -2.233 -3.220 -5.170 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.541 -5.467 -4.039 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.810 -2.501 -3.666 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.290 -4.522 -2.035 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.572 -3.469 -3.238 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.864 -3.075 -1.457 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.838 -3.654 -2.829 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.835 -4.797 -1.906 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.210 -2.582 -0.971 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.238 -1.473 -1.909 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.967 -2.542 -0.687 1.00 2.00 H new ATOM 490 N GLN A 31 -5.251 -3.709 -6.132 1.00 7.06 N ATOM 491 CA GLN A 31 -6.351 -3.812 -7.084 1.00 8.67 C ATOM 492 C GLN A 31 -6.388 -5.094 -7.773 1.00 10.90 C ATOM 493 O GLN A 31 -7.491 -5.645 -7.900 1.00 9.63 O ATOM 494 CB GLN A 31 -6.333 -2.707 -8.177 1.00 9.12 C ATOM 495 CG GLN A 31 -7.640 -2.610 -9.015 1.00 10.76 C ATOM 496 CD GLN A 31 -7.779 -1.287 -9.835 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.659 -0.500 -9.614 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.791 -1.112 -10.779 1.00 14.76 N ATOM 0 H GLN A 31 -4.663 -2.892 -6.295 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.236 -3.694 -6.458 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.150 -1.744 -7.700 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.497 -2.893 -8.851 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.682 -3.456 -9.701 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.495 -2.701 -8.345 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.076 -1.828 -10.908 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.774 -0.266 -11.349 1.00 14.76 H new ATOM 507 N ASP A 32 -5.226 -5.620 -8.305 1.00 10.93 N ATOM 508 CA ASP A 32 -5.075 -6.924 -8.960 1.00 14.01 C ATOM 509 C ASP A 32 -5.490 -8.090 -8.058 1.00 14.04 C ATOM 510 O ASP A 32 -6.233 -8.981 -8.398 1.00 13.39 O ATOM 511 CB ASP A 32 -3.689 -7.261 -9.668 1.00 18.01 C ATOM 512 CG ASP A 32 -3.382 -6.324 -10.801 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.303 -5.794 -11.472 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.182 -6.102 -11.048 1.00 26.29 O ATOM 0 H ASP A 32 -4.347 -5.104 -8.274 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.772 -6.806 -9.790 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.887 -7.212 -8.932 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.715 -8.284 -10.043 1.00 18.01 H new ATOM 519 N LYS A 33 -5.026 -8.042 -6.810 1.00 14.22 N ATOM 520 CA LYS A 33 -5.410 -9.051 -5.789 1.00 14.00 C ATOM 521 C LYS A 33 -6.882 -9.071 -5.354 1.00 12.37 C ATOM 522 O LYS A 33 -7.530 -10.129 -5.493 1.00 12.17 O ATOM 523 CB LYS A 33 -4.583 -8.844 -4.440 1.00 18.62 C ATOM 524 CG LYS A 33 -3.041 -8.948 -4.668 1.00 24.00 C ATOM 525 CD LYS A 33 -2.516 -10.394 -4.568 1.00 27.61 C ATOM 526 CE LYS A 33 -1.035 -10.542 -4.998 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.423 -11.831 -4.543 1.00 30.06 N ATOM 0 H LYS A 33 -4.386 -7.324 -6.470 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.196 -9.986 -6.308 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.820 -7.868 -4.017 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.891 -9.592 -3.709 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.796 -8.545 -5.651 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.527 -8.329 -3.933 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.625 -10.742 -3.541 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.134 -11.041 -5.191 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.969 -10.477 -6.084 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.459 -9.709 -4.594 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.324 -11.634 -3.847 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.154 -12.427 -4.106 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.013 -12.328 -5.359 1.00 30.06 H new ATOM 541 N GLU A 34 -7.459 -7.960 -4.891 1.00 10.11 N ATOM 542 CA GLU A 34 -8.697 -7.965 -4.155 1.00 10.07 C ATOM 543 C GLU A 34 -9.854 -7.330 -4.855 1.00 9.32 C ATOM 544 O GLU A 34 -10.998 -7.591 -4.484 1.00 11.61 O ATOM 545 CB GLU A 34 -8.461 -7.283 -2.777 1.00 14.77 C ATOM 546 CG GLU A 34 -7.338 -7.947 -1.958 1.00 18.75 C ATOM 547 CD GLU A 34 -7.638 -9.378 -1.473 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.520 -9.568 -0.611 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.001 -10.262 -2.044 1.00 25.19 O ATOM 0 H GLU A 34 -7.065 -7.029 -5.025 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.983 -9.011 -4.042 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.215 -6.233 -2.936 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.386 -7.310 -2.202 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.432 -7.968 -2.564 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.126 -7.323 -1.090 1.00 18.75 H new ATOM 556 N GLY A 35 -9.663 -6.451 -5.850 1.00 7.22 N ATOM 557 CA GLY A 35 -10.768 -5.784 -6.561 1.00 6.29 C ATOM 558 C GLY A 35 -11.077 -4.536 -5.879 1.00 6.93 C ATOM 559 O GLY A 35 -12.101 -3.858 -5.972 1.00 7.41 O ATOM 0 H GLY A 35 -8.738 -6.181 -6.186 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.488 -5.589 -7.596 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.646 -6.429 -6.584 1.00 6.29 H new ATOM 563 N ILE A 36 -10.031 -3.970 -5.249 1.00 5.86 N ATOM 564 CA ILE A 36 -10.112 -2.717 -4.490 1.00 6.07 C ATOM 565 C ILE A 36 -9.462 -1.611 -5.259 1.00 6.36 C ATOM 566 O ILE A 36 -8.226 -1.798 -5.394 1.00 6.18 O ATOM 567 CB ILE A 36 -9.454 -2.754 -3.105 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.138 -3.898 -2.280 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.665 -1.356 -2.408 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.357 -4.245 -1.008 1.00 9.49 C ATOM 0 H ILE A 36 -9.096 -4.378 -5.255 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.180 -2.556 -4.341 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.384 -2.948 -3.175 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.150 -3.594 -2.011 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.228 -4.788 -2.903 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.202 -1.368 -1.421 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.207 -0.574 -3.014 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.732 -1.158 -2.306 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.871 -5.042 -0.472 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.354 -4.576 -1.276 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.290 -3.363 -0.370 1.00 9.49 H new ATOM 582 N PRO A 37 -10.074 -0.550 -5.763 1.00 8.65 N ATOM 583 CA PRO A 37 -9.401 0.393 -6.633 1.00 9.18 C ATOM 584 C PRO A 37 -8.513 1.317 -5.683 1.00 9.85 C ATOM 585 O PRO A 37 -8.867 1.465 -4.534 1.00 8.51 O ATOM 586 CB PRO A 37 -10.573 1.148 -7.276 1.00 11.42 C ATOM 587 CG PRO A 37 -11.761 1.043 -6.362 1.00 9.27 C ATOM 588 CD PRO A 37 -11.532 -0.363 -5.725 1.00 8.33 C ATOM 0 HA PRO A 37 -8.742 -0.020 -7.396 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.309 2.193 -7.437 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.807 0.725 -8.253 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.776 1.836 -5.614 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.704 1.100 -6.905 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.911 -0.403 -4.704 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.047 -1.142 -6.287 1.00 8.33 H new ATOM 596 N PRO A 38 -7.585 1.952 -6.272 1.00 8.71 N ATOM 597 CA PRO A 38 -6.753 2.923 -5.539 1.00 9.08 C ATOM 598 C PRO A 38 -7.483 4.015 -4.714 1.00 9.28 C ATOM 599 O PRO A 38 -6.985 4.432 -3.699 1.00 6.50 O ATOM 600 CB PRO A 38 -5.861 3.511 -6.632 1.00 10.31 C ATOM 601 CG PRO A 38 -5.734 2.375 -7.619 1.00 10.81 C ATOM 602 CD PRO A 38 -7.010 1.558 -7.519 1.00 12.00 C ATOM 0 HA PRO A 38 -6.220 2.415 -4.735 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.311 4.393 -7.088 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.890 3.815 -6.240 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.598 2.756 -8.631 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.863 1.760 -7.390 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.683 1.767 -8.351 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.800 0.489 -7.540 1.00 12.00 H new ATOM 610 N ASP A 39 -8.627 4.545 -5.184 1.00 11.20 N ATOM 611 CA ASP A 39 -9.373 5.608 -4.574 1.00 14.96 C ATOM 612 C ASP A 39 -9.983 5.043 -3.265 1.00 13.99 C ATOM 613 O ASP A 39 -10.041 5.776 -2.290 1.00 13.75 O ATOM 614 CB ASP A 39 -10.516 6.045 -5.518 1.00 24.16 C ATOM 615 CG ASP A 39 -9.906 6.839 -6.643 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.269 7.901 -6.402 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.139 6.323 -7.742 1.00 34.22 O ATOM 0 H ASP A 39 -9.060 4.211 -6.045 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.733 6.467 -4.374 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.044 5.174 -5.907 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.248 6.647 -4.979 1.00 24.16 H new ATOM 622 N GLN A 40 -10.247 3.783 -3.206 1.00 11.60 N ATOM 623 CA GLN A 40 -10.766 3.180 -1.968 1.00 10.76 C ATOM 624 C GLN A 40 -9.633 2.523 -1.074 1.00 8.01 C ATOM 625 O GLN A 40 -9.984 1.765 -0.146 1.00 8.96 O ATOM 626 CB GLN A 40 -11.898 2.179 -2.284 1.00 11.14 C ATOM 627 CG GLN A 40 -13.113 2.886 -2.867 1.00 14.85 C ATOM 628 CD GLN A 40 -14.239 1.912 -3.179 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.771 1.213 -2.318 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.660 1.830 -4.452 1.00 18.16 N ATOM 0 H GLN A 40 -10.122 3.131 -3.981 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.181 3.991 -1.369 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.538 1.429 -2.989 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.184 1.650 -1.375 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.468 3.638 -2.163 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.825 3.412 -3.777 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.224 2.406 -5.172 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.416 1.191 -4.699 1.00 18.16 H new ATOM 639 N GLN A 41 -8.366 2.916 -1.235 1.00 6.52 N ATOM 640 CA GLN A 41 -7.248 2.513 -0.443 1.00 3.87 C ATOM 641 C GLN A 41 -6.582 3.653 0.314 1.00 4.79 C ATOM 642 O GLN A 41 -5.983 4.488 -0.359 1.00 6.34 O ATOM 643 CB GLN A 41 -6.169 1.815 -1.305 1.00 4.20 C ATOM 644 CG GLN A 41 -6.790 0.628 -1.927 1.00 3.20 C ATOM 645 CD GLN A 41 -5.761 -0.057 -2.794 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.582 -0.240 -2.433 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.060 -0.448 -4.076 1.00 7.13 N ATOM 0 H GLN A 41 -8.099 3.565 -1.975 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.667 1.822 0.288 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.792 2.494 -2.070 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.318 1.523 -0.690 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.152 -0.055 -1.159 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.653 0.922 -2.525 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.006 -0.328 -4.438 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.336 -0.859 -4.666 1.00 7.13 H new ATOM 656 N ARG A 42 -6.492 3.638 1.674 1.00 5.73 N ATOM 657 CA ARG A 42 -5.590 4.451 2.385 1.00 6.97 C ATOM 658 C ARG A 42 -4.499 3.571 2.912 1.00 7.15 C ATOM 659 O ARG A 42 -4.750 2.497 3.504 1.00 7.33 O ATOM 660 CB ARG A 42 -6.367 5.074 3.610 1.00 13.23 C ATOM 661 CG ARG A 42 -5.529 5.949 4.485 1.00 21.27 C ATOM 662 CD ARG A 42 -6.249 6.786 5.539 1.00 26.14 C ATOM 663 NE ARG A 42 -6.930 7.911 4.875 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.156 8.393 5.148 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.046 7.797 5.918 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.492 9.613 4.737 1.00 36.39 N ATOM 0 H ARG A 42 -7.067 3.041 2.268 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.178 5.236 1.751 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.209 5.655 3.234 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.781 4.266 4.213 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.802 5.317 4.996 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.967 6.627 3.843 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.972 6.173 6.077 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.537 7.159 6.275 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.416 8.375 4.126 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.824 6.903 6.356 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.956 8.230 6.075 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.821 10.179 4.217 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.420 9.982 4.942 1.00 36.39 H new ATOM 680 N LEU A 43 -3.230 3.924 2.626 1.00 4.65 N ATOM 681 CA LEU A 43 -2.061 3.058 2.860 1.00 3.51 C ATOM 682 C LEU A 43 -1.210 3.617 3.919 1.00 5.56 C ATOM 683 O LEU A 43 -0.790 4.751 3.880 1.00 4.19 O ATOM 684 CB LEU A 43 -1.320 2.692 1.554 1.00 3.74 C ATOM 685 CG LEU A 43 -2.093 1.777 0.585 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.281 1.456 -0.734 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.631 0.416 1.031 1.00 6.41 C ATOM 0 H LEU A 43 -2.987 4.828 2.222 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.410 2.095 3.233 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.066 3.614 1.031 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.381 2.204 1.815 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.960 2.428 0.472 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.875 0.808 -1.378 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.059 2.385 -1.259 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.349 0.954 -0.474 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.142 -0.064 0.197 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.803 -0.213 1.360 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.331 0.554 1.855 1.00 6.41 H new ATOM 699 N ILE A 44 -0.945 2.791 4.985 1.00 4.58 N ATOM 700 CA ILE A 44 -0.340 3.217 6.211 1.00 5.55 C ATOM 701 C ILE A 44 0.940 2.428 6.499 1.00 5.46 C ATOM 702 O ILE A 44 0.974 1.230 6.266 1.00 6.04 O ATOM 703 CB ILE A 44 -1.349 3.035 7.323 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.601 4.051 7.150 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.802 3.276 8.698 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.262 5.510 7.157 1.00 13.90 C ATOM 0 H ILE A 44 -1.167 1.795 4.974 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.055 4.266 6.135 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.648 1.990 7.236 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.106 3.819 6.212 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.314 3.859 7.952 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.591 3.124 9.435 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.015 2.580 8.892 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.432 4.299 8.768 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.173 6.096 7.035 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.789 5.769 8.104 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.577 5.728 6.337 1.00 13.90 H new ATOM 718 N PHE A 45 1.974 3.137 7.065 1.00 6.75 N ATOM 719 CA PHE A 45 3.166 2.438 7.592 1.00 4.70 C ATOM 720 C PHE A 45 3.850 3.456 8.504 1.00 6.34 C ATOM 721 O PHE A 45 3.797 4.657 8.164 1.00 5.45 O ATOM 722 CB PHE A 45 4.098 1.883 6.486 1.00 5.51 C ATOM 723 CG PHE A 45 5.361 1.239 7.096 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.211 0.056 7.785 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.633 1.875 6.987 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.328 -0.551 8.420 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.672 1.277 7.654 1.00 6.64 C ATOM 728 CZ PHE A 45 7.558 0.095 8.399 1.00 6.84 C ATOM 0 H PHE A 45 1.995 4.152 7.159 1.00 6.75 H new ATOM 0 HA PHE A 45 2.885 1.538 8.138 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.561 1.145 5.890 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.387 2.689 5.811 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.240 -0.413 7.843 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.771 2.778 6.411 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.222 -1.505 8.914 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.642 1.748 7.602 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.403 -0.303 8.942 1.00 6.84 H new ATOM 738 N ALA A 46 4.528 3.073 9.611 1.00 6.53 N ATOM 739 CA ALA A 46 5.158 3.969 10.583 1.00 7.15 C ATOM 740 C ALA A 46 4.284 5.094 11.260 1.00 9.00 C ATOM 741 O ALA A 46 4.734 6.159 11.722 1.00 11.15 O ATOM 742 CB ALA A 46 6.454 4.537 10.004 1.00 8.99 C ATOM 0 H ALA A 46 4.651 2.090 9.852 1.00 6.53 H new ATOM 0 HA ALA A 46 5.347 3.313 11.433 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.917 5.203 10.733 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.138 3.720 9.773 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.232 5.094 9.093 1.00 8.99 H new ATOM 748 N GLY A 47 2.958 4.748 11.431 1.00 9.35 N ATOM 749 CA GLY A 47 1.936 5.723 11.814 1.00 11.68 C ATOM 750 C GLY A 47 1.627 6.827 10.855 1.00 11.14 C ATOM 751 O GLY A 47 0.972 7.783 11.188 1.00 13.93 O ATOM 0 H GLY A 47 2.602 3.801 11.304 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.011 5.179 12.007 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.243 6.176 12.757 1.00 11.68 H new ATOM 755 N LYS A 48 2.114 6.750 9.564 1.00 10.47 N ATOM 756 CA LYS A 48 2.055 7.817 8.557 1.00 8.82 C ATOM 757 C LYS A 48 1.398 7.297 7.302 1.00 7.68 C ATOM 758 O LYS A 48 1.548 6.161 6.911 1.00 6.47 O ATOM 759 CB LYS A 48 3.455 8.301 8.203 1.00 9.74 C ATOM 760 CG LYS A 48 4.129 9.179 9.303 1.00 14.14 C ATOM 761 CD LYS A 48 5.470 9.795 8.888 1.00 16.32 C ATOM 762 CE LYS A 48 6.599 8.841 8.622 1.00 20.04 C ATOM 763 NZ LYS A 48 7.772 9.731 8.393 1.00 23.92 N ATOM 0 H LYS A 48 2.567 5.907 9.211 1.00 10.47 H new ATOM 0 HA LYS A 48 1.480 8.644 8.972 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.088 7.435 8.008 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.405 8.874 7.277 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.445 9.981 9.580 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.283 8.569 10.193 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.307 10.389 7.988 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.785 10.484 9.672 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.764 8.172 9.466 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.397 8.215 7.753 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.614 9.152 8.198 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.583 10.352 7.581 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.939 10.310 9.240 1.00 23.92 H new ATOM 777 N GLN A 49 0.614 8.193 6.620 1.00 8.89 N ATOM 778 CA GLN A 49 -0.041 7.930 5.312 1.00 7.18 C ATOM 779 C GLN A 49 1.100 7.708 4.274 1.00 8.23 C ATOM 780 O GLN A 49 2.060 8.489 4.187 1.00 9.70 O ATOM 781 CB GLN A 49 -0.999 9.022 4.703 1.00 11.67 C ATOM 782 CG GLN A 49 -2.296 9.267 5.545 1.00 15.82 C ATOM 783 CD GLN A 49 -3.418 9.981 4.723 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.389 9.245 4.421 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.394 11.311 4.516 1.00 20.67 N ATOM 0 H GLN A 49 0.422 9.129 6.977 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.698 7.084 5.513 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.453 9.961 4.613 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.283 8.721 3.695 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.672 8.312 5.913 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.050 9.871 6.418 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.573 11.854 4.784 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.196 11.776 4.091 1.00 20.67 H new ATOM 794 N LEU A 50 0.945 6.771 3.377 1.00 6.51 N ATOM 795 CA LEU A 50 1.850 6.627 2.239 1.00 7.41 C ATOM 796 C LEU A 50 1.158 7.201 1.054 1.00 8.27 C ATOM 797 O LEU A 50 0.022 6.833 0.824 1.00 8.34 O ATOM 798 CB LEU A 50 2.136 5.140 2.009 1.00 7.13 C ATOM 799 CG LEU A 50 2.698 4.336 3.240 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.761 2.794 2.793 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.126 4.735 3.733 1.00 9.11 C ATOM 0 H LEU A 50 0.194 6.082 3.403 1.00 6.51 H new ATOM 0 HA LEU A 50 2.796 7.139 2.416 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.213 4.661 1.681 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.849 5.052 1.189 1.00 7.13 H new ATOM 0 HG LEU A 50 2.030 4.553 4.074 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.146 2.192 3.616 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.761 2.450 2.529 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.419 2.692 1.930 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.404 4.113 4.584 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.844 4.588 2.926 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.128 5.783 4.033 1.00 9.11 H new ATOM 813 N GLU A 51 1.773 8.156 0.325 1.00 9.43 N ATOM 814 CA GLU A 51 0.996 8.913 -0.683 1.00 11.90 C ATOM 815 C GLU A 51 1.333 8.310 -2.005 1.00 11.49 C ATOM 816 O GLU A 51 2.448 7.891 -2.198 1.00 9.88 O ATOM 817 CB GLU A 51 1.433 10.397 -0.720 1.00 16.56 C ATOM 818 CG GLU A 51 1.454 11.133 0.640 1.00 26.06 C ATOM 819 CD GLU A 51 1.996 12.581 0.599 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.292 13.173 -0.475 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.156 13.131 1.713 1.00 33.44 O ATOM 0 H GLU A 51 2.756 8.414 0.406 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.067 8.868 -0.447 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.431 10.450 -1.155 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.764 10.935 -1.391 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.440 11.153 1.039 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.060 10.555 1.338 1.00 26.06 H new ATOM 828 N ASP A 52 0.317 8.247 -2.869 1.00 12.71 N ATOM 829 CA ASP A 52 0.335 7.721 -4.267 1.00 16.56 C ATOM 830 C ASP A 52 1.551 8.060 -5.150 1.00 15.83 C ATOM 831 O ASP A 52 2.262 7.122 -5.646 1.00 17.21 O ATOM 832 CB ASP A 52 -0.893 8.356 -5.067 1.00 21.05 C ATOM 833 CG ASP A 52 -2.220 8.295 -4.254 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.241 7.570 -3.258 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.166 9.060 -4.532 1.00 25.82 O ATOM 0 H ASP A 52 -0.611 8.581 -2.608 1.00 12.71 H new ATOM 0 HA ASP A 52 0.326 6.642 -4.113 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.667 9.394 -5.312 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.022 7.826 -6.011 1.00 21.05 H new ATOM 840 N GLY A 53 1.931 9.364 -5.221 1.00 15.00 N ATOM 841 CA GLY A 53 2.922 10.029 -6.062 1.00 11.77 C ATOM 842 C GLY A 53 4.310 9.836 -5.609 1.00 11.10 C ATOM 843 O GLY A 53 5.209 10.436 -6.137 1.00 11.25 O ATOM 0 H GLY A 53 1.484 10.045 -4.607 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.827 9.657 -7.082 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.704 11.097 -6.090 1.00 11.77 H new ATOM 847 N ARG A 54 4.568 9.105 -4.477 1.00 8.53 N ATOM 848 CA ARG A 54 5.900 8.934 -3.843 1.00 9.05 C ATOM 849 C ARG A 54 6.213 7.431 -3.791 1.00 8.96 C ATOM 850 O ARG A 54 5.313 6.556 -3.872 1.00 11.60 O ATOM 851 CB ARG A 54 5.945 9.612 -2.446 1.00 7.97 C ATOM 852 CG ARG A 54 5.237 10.993 -2.482 1.00 9.62 C ATOM 853 CD ARG A 54 5.501 11.662 -1.107 1.00 12.20 C ATOM 854 NE ARG A 54 5.145 13.153 -1.245 1.00 18.23 N ATOM 855 CZ ARG A 54 5.951 14.122 -1.696 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.240 14.029 -2.057 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.480 15.367 -1.569 1.00 23.38 N ATOM 0 H ARG A 54 3.830 8.610 -3.975 1.00 8.53 H new ATOM 0 HA ARG A 54 6.672 9.430 -4.431 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.463 8.970 -1.709 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.981 9.737 -2.130 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.627 11.608 -3.293 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.168 10.876 -2.657 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.897 11.193 -0.330 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.544 11.542 -0.816 1.00 12.20 H new ATOM 0 HE ARG A 54 4.204 13.430 -0.966 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.721 13.131 -2.003 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.738 14.856 -2.386 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.563 15.525 -1.151 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.038 16.158 -1.890 1.00 23.38 H new ATOM 871 N THR A 55 7.506 7.102 -3.715 1.00 9.05 N ATOM 872 CA THR A 55 8.022 5.733 -3.835 1.00 9.03 C ATOM 873 C THR A 55 8.204 5.135 -2.485 1.00 8.15 C ATOM 874 O THR A 55 8.277 5.845 -1.488 1.00 5.91 O ATOM 875 CB THR A 55 9.322 5.621 -4.613 1.00 11.15 C ATOM 876 OG1 THR A 55 10.336 6.454 -3.988 1.00 11.95 O ATOM 877 CG2 THR A 55 9.052 6.116 -6.052 1.00 11.71 C ATOM 0 H THR A 55 8.240 7.794 -3.565 1.00 9.05 H new ATOM 0 HA THR A 55 7.272 5.186 -4.406 1.00 9.03 H new ATOM 0 HB THR A 55 9.677 4.590 -4.625 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.191 5.975 -3.975 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.969 6.048 -6.638 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.281 5.497 -6.511 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.716 7.152 -6.023 1.00 11.71 H new ATOM 885 N LEU A 56 8.250 3.765 -2.491 1.00 6.91 N ATOM 886 CA LEU A 56 8.610 2.948 -1.341 1.00 8.29 C ATOM 887 C LEU A 56 9.934 3.318 -0.717 1.00 8.05 C ATOM 888 O LEU A 56 10.132 3.198 0.504 1.00 10.17 O ATOM 889 CB LEU A 56 8.622 1.448 -1.762 1.00 6.60 C ATOM 890 CG LEU A 56 7.225 0.773 -2.033 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.257 -0.737 -2.371 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.216 0.998 -0.831 1.00 8.64 C ATOM 0 H LEU A 56 8.030 3.213 -3.320 1.00 6.91 H new ATOM 0 HA LEU A 56 7.856 3.133 -0.576 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.225 1.354 -2.665 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.127 0.880 -0.981 1.00 6.60 H new ATOM 0 HG LEU A 56 6.882 1.285 -2.932 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.241 -1.094 -2.538 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.850 -0.896 -3.272 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.703 -1.286 -1.542 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.265 0.516 -1.059 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.632 0.566 0.079 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.056 2.066 -0.686 1.00 8.64 H new ATOM 904 N SER A 57 10.887 3.697 -1.546 1.00 8.92 N ATOM 905 CA SER A 57 12.195 4.287 -1.136 1.00 9.00 C ATOM 906 C SER A 57 12.133 5.626 -0.517 1.00 9.44 C ATOM 907 O SER A 57 12.949 5.879 0.396 1.00 10.91 O ATOM 908 CB SER A 57 13.052 4.346 -2.469 1.00 10.32 C ATOM 909 OG SER A 57 12.695 5.507 -3.274 1.00 13.59 O ATOM 0 H SER A 57 10.793 3.610 -2.558 1.00 8.92 H new ATOM 0 HA SER A 57 12.623 3.666 -0.349 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.113 4.384 -2.221 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.893 3.436 -3.048 1.00 10.32 H new ATOM 0 HG SER A 57 13.239 5.520 -4.089 1.00 13.59 H new ATOM 915 N ASP A 58 11.146 6.451 -0.821 1.00 9.11 N ATOM 916 CA ASP A 58 10.871 7.700 -0.143 1.00 7.91 C ATOM 917 C ASP A 58 10.443 7.406 1.332 1.00 9.12 C ATOM 918 O ASP A 58 10.753 8.149 2.289 1.00 8.61 O ATOM 919 CB ASP A 58 9.780 8.560 -0.879 1.00 8.41 C ATOM 920 CG ASP A 58 10.273 9.009 -2.207 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.377 9.598 -2.366 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.430 8.962 -3.179 1.00 11.70 O ATOM 0 H ASP A 58 10.490 6.259 -1.578 1.00 9.11 H new ATOM 0 HA ASP A 58 11.786 8.293 -0.151 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.870 7.973 -1.003 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.521 9.426 -0.270 1.00 8.41 H new ATOM 927 N TYR A 59 9.769 6.234 1.597 1.00 7.97 N ATOM 928 CA TYR A 59 9.317 5.847 2.955 1.00 8.45 C ATOM 929 C TYR A 59 10.253 4.828 3.633 1.00 10.98 C ATOM 930 O TYR A 59 9.832 4.326 4.718 1.00 12.95 O ATOM 931 CB TYR A 59 7.923 5.211 2.821 1.00 7.94 C ATOM 932 CG TYR A 59 7.003 6.295 2.488 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.569 7.178 3.493 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.420 6.408 1.227 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.637 8.171 3.242 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.477 7.431 0.905 1.00 6.52 C ATOM 937 CZ TYR A 59 5.187 8.345 1.919 1.00 6.76 C ATOM 938 OH TYR A 59 4.296 9.349 1.520 1.00 7.63 O ATOM 0 H TYR A 59 9.534 5.551 0.877 1.00 7.97 H new ATOM 0 HA TYR A 59 9.310 6.743 3.575 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.919 4.446 2.044 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.628 4.724 3.750 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.974 7.079 4.489 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.692 5.694 0.464 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.265 8.796 4.040 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.014 7.494 -0.069 1.00 6.52 H new ATOM 0 HH TYR A 59 4.683 10.227 1.717 1.00 7.63 H new ATOM 948 N ASN A 60 11.371 4.439 2.985 1.00 12.38 N ATOM 949 CA ASN A 60 12.321 3.475 3.512 1.00 13.94 C ATOM 950 C ASN A 60 11.758 2.092 3.751 1.00 14.16 C ATOM 951 O ASN A 60 12.166 1.261 4.559 1.00 14.26 O ATOM 952 CB ASN A 60 13.273 3.949 4.696 1.00 19.23 C ATOM 953 CG ASN A 60 14.207 5.075 4.296 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.167 5.647 3.190 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.084 5.561 5.217 1.00 24.09 N ATOM 0 H ASN A 60 11.630 4.800 2.067 1.00 12.38 H new ATOM 0 HA ASN A 60 12.997 3.401 2.660 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.661 4.274 5.538 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.864 3.100 5.041 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.673 6.361 4.987 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.152 5.125 6.137 1.00 24.09 H new ATOM 962 N ILE A 61 10.791 1.680 2.895 1.00 11.08 N ATOM 963 CA ILE A 61 10.064 0.460 3.058 1.00 11.78 C ATOM 964 C ILE A 61 10.814 -0.600 2.304 1.00 13.74 C ATOM 965 O ILE A 61 10.911 -0.529 1.063 1.00 14.60 O ATOM 966 CB ILE A 61 8.636 0.537 2.520 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.735 1.359 3.543 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.970 -0.818 2.060 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.560 2.037 2.812 1.00 11.42 C ATOM 0 H ILE A 61 10.513 2.214 2.071 1.00 11.08 H new ATOM 0 HA ILE A 61 9.983 0.242 4.123 1.00 11.78 H new ATOM 0 HB ILE A 61 8.708 1.067 1.570 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.353 0.692 4.316 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.341 2.113 4.045 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.960 -0.623 1.700 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.561 -1.260 1.258 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.928 -1.508 2.903 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.957 2.593 3.530 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.947 2.721 2.056 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.943 1.277 2.332 1.00 11.42 H new ATOM 981 N GLN A 62 11.432 -1.476 3.093 1.00 13.97 N ATOM 982 CA GLN A 62 12.318 -2.459 2.476 1.00 15.52 C ATOM 983 C GLN A 62 11.729 -3.905 2.526 1.00 13.94 C ATOM 984 O GLN A 62 10.755 -4.149 3.302 1.00 12.15 O ATOM 985 CB GLN A 62 13.645 -2.475 3.219 1.00 19.53 C ATOM 986 CG GLN A 62 14.543 -1.210 3.042 1.00 26.38 C ATOM 987 CD GLN A 62 15.630 -1.076 4.123 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.325 -0.833 5.311 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.916 -1.348 3.764 1.00 32.71 N ATOM 0 H GLN A 62 11.344 -1.528 4.108 1.00 13.97 H new ATOM 0 HA GLN A 62 12.441 -2.168 1.433 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.442 -2.607 4.282 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.211 -3.347 2.892 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.018 -1.245 2.062 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.913 -0.321 3.059 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.143 -1.544 2.789 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.652 -1.356 4.470 1.00 32.71 H new ATOM 998 N LYS A 63 12.360 -4.787 1.798 1.00 11.73 N ATOM 999 CA LYS A 63 12.033 -6.209 1.832 1.00 11.97 C ATOM 1000 C LYS A 63 11.486 -6.750 3.134 1.00 10.41 C ATOM 1001 O LYS A 63 12.077 -6.617 4.205 1.00 9.59 O ATOM 1002 CB LYS A 63 13.201 -7.005 1.355 1.00 13.73 C ATOM 1003 CG LYS A 63 13.061 -8.534 1.382 1.00 16.98 C ATOM 1004 CD LYS A 63 14.317 -9.247 0.737 1.00 20.19 C ATOM 1005 CE LYS A 63 15.663 -9.004 1.388 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.703 -9.762 0.710 1.00 25.97 N ATOM 0 H LYS A 63 13.119 -4.551 1.159 1.00 11.73 H new ATOM 0 HA LYS A 63 11.187 -6.318 1.153 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.421 -6.703 0.331 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.066 -6.733 1.960 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.940 -8.870 2.412 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.160 -8.827 0.843 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.132 -10.321 0.736 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.385 -8.934 -0.305 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.901 -7.941 1.357 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.622 -9.291 2.439 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.619 -9.583 1.170 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.482 -10.777 0.761 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.753 -9.469 -0.286 1.00 25.97 H new ATOM 1020 N GLU A 64 10.386 -7.476 2.998 1.00 10.04 N ATOM 1021 CA GLU A 64 9.572 -8.240 3.977 1.00 10.94 C ATOM 1022 C GLU A 64 9.071 -7.378 5.119 1.00 9.74 C ATOM 1023 O GLU A 64 8.601 -7.841 6.144 1.00 9.42 O ATOM 1024 CB GLU A 64 10.303 -9.462 4.422 1.00 18.31 C ATOM 1025 CG GLU A 64 10.380 -10.470 3.266 1.00 24.16 C ATOM 1026 CD GLU A 64 11.268 -11.571 3.658 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.008 -12.210 4.728 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.298 -11.853 3.010 1.00 32.61 O ATOM 0 H GLU A 64 9.972 -7.565 2.070 1.00 10.04 H new ATOM 0 HA GLU A 64 8.666 -8.578 3.475 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.307 -9.196 4.753 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.795 -9.911 5.275 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.386 -10.852 3.031 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.756 -9.984 2.366 1.00 24.16 H new ATOM 1035 N SER A 65 9.000 -6.054 4.876 1.00 6.85 N ATOM 1036 CA SER A 65 8.262 -5.181 5.752 1.00 6.90 C ATOM 1037 C SER A 65 6.708 -5.424 5.720 1.00 4.72 C ATOM 1038 O SER A 65 6.190 -5.750 4.624 1.00 3.91 O ATOM 1039 CB SER A 65 8.612 -3.674 5.531 1.00 7.28 C ATOM 1040 OG SER A 65 8.025 -2.759 6.506 1.00 10.56 O ATOM 0 H SER A 65 9.446 -5.589 4.085 1.00 6.85 H new ATOM 0 HA SER A 65 8.590 -5.447 6.757 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.696 -3.560 5.554 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.282 -3.381 4.534 1.00 7.28 H new ATOM 0 HG SER A 65 8.294 -1.840 6.296 1.00 10.56 H new ATOM 1046 N THR A 66 6.055 -5.294 6.877 1.00 4.48 N ATOM 1047 CA THR A 66 4.638 -5.469 6.926 1.00 3.80 C ATOM 1048 C THR A 66 3.980 -4.145 6.986 1.00 4.60 C ATOM 1049 O THR A 66 4.225 -3.294 7.803 1.00 5.33 O ATOM 1050 CB THR A 66 4.091 -6.395 8.022 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.585 -7.750 7.822 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.564 -6.438 8.043 1.00 3.40 C ATOM 0 H THR A 66 6.495 -5.071 7.770 1.00 4.48 H new ATOM 0 HA THR A 66 4.394 -5.999 6.005 1.00 3.80 H new ATOM 0 HB THR A 66 4.436 -5.991 8.974 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.233 -8.334 8.526 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.230 -7.107 8.836 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.174 -5.436 8.225 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.197 -6.801 7.083 1.00 3.40 H new ATOM 1060 N LEU A 67 3.181 -3.736 5.943 1.00 4.17 N ATOM 1061 CA LEU A 67 2.522 -2.479 5.714 1.00 3.85 C ATOM 1062 C LEU A 67 1.084 -2.735 5.958 1.00 3.80 C ATOM 1063 O LEU A 67 0.629 -3.856 5.862 1.00 5.54 O ATOM 1064 CB LEU A 67 2.711 -1.945 4.306 1.00 7.18 C ATOM 1065 CG LEU A 67 4.103 -1.972 3.694 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.026 -1.132 2.422 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.196 -1.343 4.594 1.00 11.66 C ATOM 0 H LEU A 67 2.986 -4.381 5.177 1.00 4.17 H new ATOM 0 HA LEU A 67 2.945 -1.721 6.372 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.050 -2.508 3.648 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.366 -0.911 4.296 1.00 7.18 H new ATOM 0 HG LEU A 67 4.381 -3.014 3.534 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.002 -1.115 1.937 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.291 -1.566 1.744 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.729 -0.114 2.675 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.160 -1.400 4.089 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.950 -0.299 4.790 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.248 -1.887 5.537 1.00 11.66 H new ATOM 1079 N HIS A 68 0.279 -1.712 6.274 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.136 -1.815 6.547 1.00 4.17 C ATOM 1081 C HIS A 68 -2.023 -1.201 5.436 1.00 5.32 C ATOM 1082 O HIS A 68 -1.708 -0.131 4.865 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.374 -1.136 7.910 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.722 -1.230 8.481 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.573 -2.328 8.422 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.350 -0.256 9.185 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.659 -1.984 9.127 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.583 -0.759 9.682 1.00 16.30 N ATOM 0 H HIS A 68 0.624 -0.755 6.346 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.428 -2.865 6.572 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.673 -1.564 8.627 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.123 -0.080 7.810 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -3.405 -3.212 7.942 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.973 0.744 9.343 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.517 -2.630 9.240 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.203 -1.814 5.166 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.228 -1.259 4.321 1.00 3.97 C ATOM 1098 C LEU A 69 -5.470 -0.859 5.163 1.00 5.07 C ATOM 1099 O LEU A 69 -6.094 -1.750 5.820 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.600 -2.341 3.257 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.881 -2.167 2.405 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.912 -0.906 1.520 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.006 -3.241 1.287 1.00 9.96 C ATOM 0 H LEU A 69 -3.449 -2.726 5.550 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.869 -0.356 3.828 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.759 -2.424 2.568 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.681 -3.295 3.777 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.643 -2.183 3.184 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.849 -0.875 0.963 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.834 -0.019 2.148 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.075 -0.931 0.822 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.922 -3.072 0.721 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.148 -3.172 0.619 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.036 -4.233 1.737 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.902 0.406 5.038 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.169 0.840 5.540 1.00 6.26 C ATOM 1117 C VAL A 70 -8.142 0.943 4.370 1.00 9.22 C ATOM 1118 O VAL A 70 -7.933 1.745 3.411 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.042 2.151 6.315 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.465 2.501 6.820 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.116 1.873 7.462 1.00 8.54 C ATOM 0 H VAL A 70 -5.363 1.142 4.581 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.556 0.113 6.254 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.653 2.980 5.724 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.432 3.434 7.383 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.136 2.615 5.968 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.829 1.701 7.464 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.987 2.779 8.054 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.538 1.087 8.088 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.148 1.550 7.078 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.204 0.176 4.389 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.340 0.414 3.487 1.00 16.06 C ATOM 1133 C LEU A 71 -11.012 1.749 3.546 1.00 18.09 C ATOM 1134 O LEU A 71 -11.659 2.067 4.544 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.393 -0.645 3.538 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.919 -1.229 2.137 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.474 -0.159 1.082 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.804 -2.081 1.483 1.00 19.57 C ATOM 0 H LEU A 71 -9.320 -0.622 5.013 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.812 0.384 2.534 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.006 -1.477 4.126 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.250 -0.243 4.079 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.792 -1.828 2.397 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.799 -0.674 0.178 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.317 0.377 1.517 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.684 0.549 0.832 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.160 -2.478 0.532 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.925 -1.460 1.311 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.541 -2.906 2.145 1.00 19.57 H new