USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 126:sc= 0.0626 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0648 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 173:sc= 0.856 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 117:sc= 0.764 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.374 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : A 1 MET CE :methyl 176:sc=-0.00223 (180deg=-0.0467) USER MOD Single : A 1 MET N :NH3+ 167:sc= 2.28 (180deg=2.08) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.08) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.554 (180deg=0.445) USER MOD Single : A 31 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.043) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0674 K(o=-0.067,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 1.53 K(o=1.5,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.49 USER MOD Single : A 60 ASN : amide:sc= -0.0768 K(o=-0.077,f=-1.2) 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 85:sc= 1.19 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=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.475 -6.774 -5.017 1.00 9.67 N ATOM 2 CA MET A 1 11.406 -6.722 -3.504 1.00 10.38 C ATOM 3 C MET A 1 10.111 -7.282 -2.996 1.00 9.62 C ATOM 4 O MET A 1 9.074 -7.165 -3.687 1.00 9.62 O ATOM 5 CB MET A 1 11.677 -5.246 -3.043 1.00 13.77 C ATOM 6 CG MET A 1 12.224 -5.157 -1.542 1.00 16.29 C ATOM 7 SD MET A 1 12.739 -3.474 -0.957 1.00 17.17 S ATOM 8 CE MET A 1 11.086 -2.672 -0.945 1.00 16.11 C ATOM 0 H1 MET A 1 12.269 -6.189 -5.349 1.00 9.67 H new ATOM 0 H2 MET A 1 11.617 -7.757 -5.324 1.00 9.67 H new ATOM 0 H3 MET A 1 10.587 -6.411 -5.418 1.00 9.67 H new ATOM 0 HA MET A 1 12.176 -7.358 -3.067 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.400 -4.787 -3.717 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.755 -4.670 -3.124 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.449 -5.530 -0.872 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.077 -5.828 -1.448 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.175 -1.660 -0.549 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.694 -2.630 -1.961 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.406 -3.249 -0.318 1.00 16.11 H new ATOM 20 N GLN A 2 10.143 -8.001 -1.884 1.00 9.27 N ATOM 21 CA GLN A 2 8.924 -8.557 -1.407 1.00 9.07 C ATOM 22 C GLN A 2 8.466 -7.738 -0.160 1.00 8.72 C ATOM 23 O GLN A 2 9.265 -7.438 0.737 1.00 8.22 O ATOM 24 CB GLN A 2 9.291 -9.991 -0.911 1.00 14.46 C ATOM 25 CG GLN A 2 8.019 -10.720 -0.350 1.00 17.01 C ATOM 26 CD GLN A 2 8.362 -12.153 0.027 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.770 -12.535 1.137 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.249 -13.066 -1.006 1.00 19.49 N ATOM 0 H GLN A 2 10.974 -8.198 -1.326 1.00 9.27 H new ATOM 0 HA GLN A 2 8.145 -8.554 -2.169 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.716 -10.569 -1.732 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.054 -9.930 -0.135 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.640 -10.187 0.522 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.226 -10.712 -1.098 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.915 -12.762 -1.921 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.500 -14.043 -0.853 1.00 19.49 H new ATOM 37 N ILE A 3 7.133 -7.415 -0.165 1.00 5.87 N ATOM 38 CA ILE A 3 6.533 -6.797 1.013 1.00 5.07 C ATOM 39 C ILE A 3 5.206 -7.418 1.358 1.00 4.01 C ATOM 40 O ILE A 3 4.521 -8.018 0.566 1.00 4.61 O ATOM 41 CB ILE A 3 6.440 -5.303 0.921 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.517 -4.763 -0.216 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.824 -4.675 0.736 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.150 -3.315 0.104 1.00 10.83 C ATOM 0 H ILE A 3 6.497 -7.573 -0.947 1.00 5.87 H new ATOM 0 HA ILE A 3 7.218 -7.003 1.835 1.00 5.07 H new ATOM 0 HB ILE A 3 5.989 -5.014 1.870 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.027 -4.821 -1.178 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.617 -5.373 -0.295 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.726 -3.591 0.672 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.457 -4.933 1.585 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.275 -5.053 -0.181 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.505 -2.921 -0.681 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.626 -3.275 1.059 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.058 -2.714 0.163 1.00 10.83 H new ATOM 56 N PHE A 4 4.710 -7.266 2.633 1.00 4.55 N ATOM 57 CA PHE A 4 3.465 -7.795 3.096 1.00 4.68 C ATOM 58 C PHE A 4 2.516 -6.647 3.390 1.00 5.30 C ATOM 59 O PHE A 4 2.927 -5.629 3.914 1.00 5.58 O ATOM 60 CB PHE A 4 3.554 -8.751 4.359 1.00 4.83 C ATOM 61 CG PHE A 4 4.670 -9.649 4.196 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.550 -10.912 3.528 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.955 -9.401 4.713 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.624 -11.756 3.276 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.015 -10.245 4.529 1.00 10.61 C ATOM 66 CZ PHE A 4 6.849 -11.432 3.828 1.00 8.90 C ATOM 0 H PHE A 4 5.213 -6.750 3.355 1.00 4.55 H new ATOM 0 HA PHE A 4 3.099 -8.430 2.289 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.676 -8.162 5.268 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.629 -9.317 4.467 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.569 -11.225 3.202 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.112 -8.498 5.284 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.505 -12.640 2.667 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.984 -9.988 4.930 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.684 -12.108 3.713 1.00 8.90 H new ATOM 76 N VAL A 5 1.263 -6.765 3.099 1.00 4.44 N ATOM 77 CA VAL A 5 0.271 -5.816 3.422 1.00 3.87 C ATOM 78 C VAL A 5 -0.750 -6.516 4.312 1.00 4.93 C ATOM 79 O VAL A 5 -1.228 -7.562 3.846 1.00 6.84 O ATOM 80 CB VAL A 5 -0.377 -5.195 2.105 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.425 -4.140 2.562 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.632 -4.531 1.183 1.00 9.13 C ATOM 0 H VAL A 5 0.892 -7.575 2.602 1.00 4.44 H new ATOM 0 HA VAL A 5 0.696 -4.969 3.960 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.822 -6.007 1.530 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.893 -3.690 1.687 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.187 -4.625 3.172 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.930 -3.365 3.148 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.118 -4.132 0.309 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.130 -3.719 1.713 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.372 -5.265 0.865 1.00 9.13 H new ATOM 92 N LYS A 6 -1.194 -5.935 5.452 1.00 6.04 N ATOM 93 CA LYS A 6 -2.192 -6.369 6.387 1.00 6.12 C ATOM 94 C LYS A 6 -3.459 -5.531 6.319 1.00 6.57 C ATOM 95 O LYS A 6 -3.568 -4.358 6.668 1.00 5.76 O ATOM 96 CB LYS A 6 -1.688 -6.305 7.801 1.00 7.45 C ATOM 97 CG LYS A 6 -0.288 -7.000 8.050 1.00 11.12 C ATOM 98 CD LYS A 6 -0.350 -8.502 7.883 1.00 14.54 C ATOM 99 CE LYS A 6 1.036 -9.225 8.085 1.00 18.84 C ATOM 100 NZ LYS A 6 0.839 -10.677 8.452 1.00 20.55 N ATOM 0 H LYS A 6 -0.795 -5.044 5.749 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.419 -7.397 6.106 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.614 -5.258 8.096 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.427 -6.769 8.454 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.446 -6.590 7.356 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.058 -6.763 9.056 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.068 -8.908 8.596 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.727 -8.732 6.886 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.624 -9.154 7.170 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.602 -8.721 8.868 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.760 -11.160 8.464 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.403 -10.741 9.394 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.219 -11.131 7.752 1.00 20.55 H new ATOM 114 N THR A 7 -4.568 -6.155 5.779 1.00 7.41 N ATOM 115 CA THR A 7 -5.937 -5.534 5.733 1.00 7.48 C ATOM 116 C THR A 7 -6.525 -5.084 7.052 1.00 8.75 C ATOM 117 O THR A 7 -5.976 -5.323 8.132 1.00 8.58 O ATOM 118 CB THR A 7 -7.011 -6.280 4.916 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.537 -7.420 5.620 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.332 -6.706 3.656 1.00 9.17 C ATOM 0 H THR A 7 -4.533 -7.089 5.371 1.00 7.41 H new ATOM 0 HA THR A 7 -5.675 -4.636 5.174 1.00 7.48 H new ATOM 0 HB THR A 7 -7.867 -5.633 4.725 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.215 -7.862 5.067 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.040 -7.244 3.025 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.967 -5.827 3.124 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.493 -7.358 3.898 1.00 9.17 H new ATOM 128 N LEU A 8 -7.690 -4.344 7.015 1.00 9.84 N ATOM 129 CA LEU A 8 -8.284 -3.865 8.199 1.00 14.15 C ATOM 130 C LEU A 8 -8.662 -4.984 9.162 1.00 17.37 C ATOM 131 O LEU A 8 -8.495 -4.892 10.383 1.00 17.01 O ATOM 132 CB LEU A 8 -9.585 -3.046 7.864 1.00 16.63 C ATOM 133 CG LEU A 8 -10.298 -2.464 9.069 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.557 -1.399 9.838 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.590 -1.827 8.550 1.00 18.59 C ATOM 0 H LEU A 8 -8.188 -4.099 6.159 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.538 -3.233 8.680 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.321 -2.233 7.188 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.278 -3.695 7.328 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.430 -3.291 9.767 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.169 -1.062 10.675 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.620 -1.808 10.215 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.346 -0.556 9.180 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.142 -1.392 9.383 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.347 -1.046 7.829 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.203 -2.588 8.067 1.00 18.59 H new ATOM 147 N THR A 9 -9.189 -6.132 8.649 1.00 18.33 N ATOM 148 CA THR A 9 -9.548 -7.319 9.413 1.00 19.24 C ATOM 149 C THR A 9 -8.422 -8.248 9.475 1.00 19.48 C ATOM 150 O THR A 9 -8.510 -9.393 9.963 1.00 23.14 O ATOM 151 CB THR A 9 -10.854 -7.952 8.769 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.569 -8.246 7.426 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.923 -6.874 8.851 1.00 19.70 C ATOM 0 H THR A 9 -9.375 -6.240 7.652 1.00 18.33 H new ATOM 0 HA THR A 9 -9.775 -7.063 10.448 1.00 19.24 H new ATOM 0 HB THR A 9 -11.181 -8.862 9.272 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.360 -8.641 7.003 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.852 -7.249 8.422 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.088 -6.604 9.894 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.596 -5.995 8.296 1.00 19.70 H new ATOM 161 N GLY A 10 -7.220 -7.774 9.067 1.00 19.43 N ATOM 162 CA GLY A 10 -5.999 -8.543 9.344 1.00 18.74 C ATOM 163 C GLY A 10 -5.610 -9.656 8.410 1.00 17.62 C ATOM 164 O GLY A 10 -4.872 -10.556 8.810 1.00 19.74 O ATOM 0 H GLY A 10 -7.078 -6.897 8.565 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.168 -7.839 9.381 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.099 -8.971 10.342 1.00 18.74 H new ATOM 168 N LYS A 11 -6.060 -9.585 7.134 1.00 13.56 N ATOM 169 CA LYS A 11 -5.635 -10.525 6.111 1.00 11.91 C ATOM 170 C LYS A 11 -4.311 -10.101 5.532 1.00 10.18 C ATOM 171 O LYS A 11 -4.098 -8.916 5.340 1.00 9.10 O ATOM 172 CB LYS A 11 -6.658 -10.596 4.980 1.00 13.43 C ATOM 173 CG LYS A 11 -6.522 -11.778 4.107 1.00 16.69 C ATOM 174 CD LYS A 11 -7.821 -11.978 3.337 1.00 17.92 C ATOM 175 CE LYS A 11 -7.994 -10.990 2.141 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.240 -11.272 1.418 1.00 21.93 N ATOM 0 H LYS A 11 -6.718 -8.879 6.805 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.542 -11.505 6.579 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.659 -10.592 5.411 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.570 -9.697 4.370 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.691 -11.641 3.415 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.298 -12.663 4.703 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.858 -13.001 2.961 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.661 -11.859 4.021 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.004 -9.964 2.508 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.145 -11.078 1.463 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.194 -10.849 0.469 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.367 -12.301 1.333 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.043 -10.866 1.939 1.00 21.93 H new ATOM 190 N THR A 12 -3.471 -11.039 5.120 1.00 9.63 N ATOM 191 CA THR A 12 -2.196 -10.798 4.470 1.00 9.85 C ATOM 192 C THR A 12 -2.306 -11.026 2.976 1.00 11.66 C ATOM 193 O THR A 12 -2.626 -12.116 2.502 1.00 12.33 O ATOM 194 CB THR A 12 -1.078 -11.681 4.907 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.928 -11.316 6.269 1.00 10.91 O ATOM 196 CG2 THR A 12 0.302 -11.323 4.350 1.00 9.63 C ATOM 0 H THR A 12 -3.671 -12.033 5.236 1.00 9.63 H new ATOM 0 HA THR A 12 -1.969 -9.769 4.747 1.00 9.85 H new ATOM 0 HB THR A 12 -1.321 -12.704 4.621 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.125 -12.089 6.838 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.042 -12.027 4.730 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.279 -11.373 3.261 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.569 -10.313 4.661 1.00 9.63 H new ATOM 204 N ILE A 13 -1.950 -9.935 2.249 1.00 10.42 N ATOM 205 CA ILE A 13 -1.627 -9.817 0.858 1.00 11.84 C ATOM 206 C ILE A 13 -0.136 -9.675 0.751 1.00 10.55 C ATOM 207 O ILE A 13 0.394 -8.794 1.433 1.00 11.92 O ATOM 208 CB ILE A 13 -2.347 -8.706 0.158 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.830 -8.525 0.593 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.290 -8.839 -1.363 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.391 -7.125 0.267 1.00 16.46 C ATOM 0 H ILE A 13 -1.884 -9.026 2.707 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.969 -10.715 0.343 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.803 -7.814 0.469 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.442 -9.279 0.098 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.912 -8.702 1.665 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.827 -8.009 -1.821 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.251 -8.824 -1.691 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.752 -9.780 -1.664 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.429 -7.063 0.595 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.801 -6.367 0.783 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.340 -6.954 -0.808 1.00 16.46 H new ATOM 223 N THR A 14 0.544 -10.477 -0.094 1.00 9.39 N ATOM 224 CA THR A 14 1.955 -10.406 -0.314 1.00 9.63 C ATOM 225 C THR A 14 2.185 -9.922 -1.703 1.00 11.20 C ATOM 226 O THR A 14 1.625 -10.492 -2.696 1.00 11.63 O ATOM 227 CB THR A 14 2.584 -11.779 -0.190 1.00 10.38 C ATOM 228 OG1 THR A 14 2.195 -12.488 1.018 1.00 16.30 O ATOM 229 CG2 THR A 14 4.160 -11.796 -0.087 1.00 11.66 C ATOM 0 H THR A 14 0.089 -11.204 -0.646 1.00 9.39 H new ATOM 0 HA THR A 14 2.397 -9.738 0.425 1.00 9.63 H new ATOM 0 HB THR A 14 2.228 -12.240 -1.111 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.632 -13.365 1.038 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.508 -12.825 -0.002 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.588 -11.341 -0.980 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.473 -11.233 0.792 1.00 11.66 H new ATOM 237 N LEU A 15 3.041 -8.884 -1.837 1.00 8.29 N ATOM 238 CA LEU A 15 3.365 -8.249 -3.070 1.00 9.03 C ATOM 239 C LEU A 15 4.859 -8.206 -3.469 1.00 8.59 C ATOM 240 O LEU A 15 5.811 -7.997 -2.728 1.00 7.79 O ATOM 241 CB LEU A 15 2.963 -6.783 -3.068 1.00 11.08 C ATOM 242 CG LEU A 15 1.566 -6.391 -2.595 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.451 -4.828 -2.629 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.446 -7.084 -3.453 1.00 15.27 C ATOM 0 H LEU A 15 3.527 -8.473 -1.040 1.00 8.29 H new ATOM 0 HA LEU A 15 2.819 -8.879 -3.772 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.681 -6.248 -2.447 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.081 -6.410 -4.085 1.00 11.08 H new ATOM 0 HG LEU A 15 1.415 -6.740 -1.573 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.458 -4.529 -2.294 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.203 -4.393 -1.970 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.612 -4.473 -3.647 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.534 -6.780 -3.086 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.551 -6.787 -4.496 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.544 -8.167 -3.373 1.00 15.27 H new ATOM 256 N GLU A 16 5.090 -8.178 -4.802 1.00 11.04 N ATOM 257 CA GLU A 16 6.365 -7.897 -5.419 1.00 11.50 C ATOM 258 C GLU A 16 6.439 -6.474 -5.832 1.00 10.13 C ATOM 259 O GLU A 16 5.819 -6.016 -6.815 1.00 9.83 O ATOM 260 CB GLU A 16 6.617 -8.887 -6.567 1.00 17.22 C ATOM 261 CG GLU A 16 8.019 -8.943 -7.103 1.00 23.33 C ATOM 262 CD GLU A 16 8.107 -9.776 -8.354 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.587 -9.364 -9.424 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.613 -10.939 -8.269 1.00 28.90 O ATOM 0 H GLU A 16 4.354 -8.360 -5.484 1.00 11.04 H new ATOM 0 HA GLU A 16 7.170 -8.042 -4.699 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.342 -9.885 -6.225 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.947 -8.636 -7.389 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.368 -7.932 -7.314 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.682 -9.357 -6.343 1.00 23.33 H new ATOM 271 N VAL A 17 7.346 -5.728 -5.219 1.00 8.99 N ATOM 272 CA VAL A 17 7.547 -4.315 -5.400 1.00 8.85 C ATOM 273 C VAL A 17 8.948 -3.989 -5.697 1.00 8.04 C ATOM 274 O VAL A 17 9.815 -4.824 -5.640 1.00 8.99 O ATOM 275 CB VAL A 17 7.082 -3.496 -4.238 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.669 -3.814 -3.800 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.924 -3.773 -3.012 1.00 10.54 C ATOM 0 H VAL A 17 7.997 -6.127 -4.542 1.00 8.99 H new ATOM 0 HA VAL A 17 6.929 -4.054 -6.259 1.00 8.85 H new ATOM 0 HB VAL A 17 7.155 -2.467 -4.591 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.400 -3.182 -2.954 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.982 -3.628 -4.625 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.606 -4.862 -3.505 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.567 -3.166 -2.180 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.848 -4.828 -2.750 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.964 -3.525 -3.222 1.00 10.54 H new ATOM 287 N GLU A 18 9.236 -2.743 -5.958 1.00 7.29 N ATOM 288 CA GLU A 18 10.629 -2.351 -5.987 1.00 7.08 C ATOM 289 C GLU A 18 10.683 -0.924 -5.351 1.00 6.45 C ATOM 290 O GLU A 18 9.577 -0.341 -5.271 1.00 5.28 O ATOM 291 CB GLU A 18 11.290 -2.223 -7.429 1.00 10.28 C ATOM 292 CG GLU A 18 11.684 -3.656 -7.938 1.00 12.65 C ATOM 293 CD GLU A 18 12.946 -4.097 -7.350 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.064 -3.600 -7.691 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.940 -5.018 -6.471 1.00 18.17 O ATOM 0 H GLU A 18 8.560 -2.003 -6.147 1.00 7.29 H new ATOM 0 HA GLU A 18 11.184 -3.133 -5.468 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.592 -1.755 -8.123 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.172 -1.584 -7.384 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.895 -4.364 -7.685 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.769 -3.648 -9.025 1.00 12.65 H new ATOM 302 N PRO A 19 11.813 -0.373 -4.896 1.00 7.24 N ATOM 303 CA PRO A 19 11.967 0.968 -4.473 1.00 7.07 C ATOM 304 C PRO A 19 11.385 2.005 -5.339 1.00 6.65 C ATOM 305 O PRO A 19 11.046 3.091 -4.779 1.00 6.37 O ATOM 306 CB PRO A 19 13.502 1.173 -4.291 1.00 7.61 C ATOM 307 CG PRO A 19 13.962 -0.253 -3.881 1.00 8.16 C ATOM 308 CD PRO A 19 13.095 -1.164 -4.741 1.00 7.49 C ATOM 0 HA PRO A 19 11.395 1.101 -3.555 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.982 1.510 -5.210 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.728 1.913 -3.523 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.023 -0.405 -4.078 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.806 -0.436 -2.818 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.560 -1.371 -5.705 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.919 -2.126 -4.259 1.00 7.49 H new ATOM 316 N SER A 20 11.406 1.809 -6.644 1.00 6.80 N ATOM 317 CA SER A 20 11.071 2.783 -7.639 1.00 6.28 C ATOM 318 C SER A 20 9.554 2.730 -8.024 1.00 8.45 C ATOM 319 O SER A 20 9.117 3.424 -8.942 1.00 7.26 O ATOM 320 CB SER A 20 11.877 2.654 -8.947 1.00 8.57 C ATOM 321 OG SER A 20 11.670 1.420 -9.621 1.00 11.13 O ATOM 0 H SER A 20 11.674 0.912 -7.050 1.00 6.80 H new ATOM 0 HA SER A 20 11.323 3.731 -7.164 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.606 3.473 -9.614 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.938 2.763 -8.723 1.00 8.57 H new ATOM 0 HG SER A 20 12.206 1.401 -10.441 1.00 11.13 H new ATOM 327 N ASP A 21 8.768 1.892 -7.256 1.00 7.50 N ATOM 328 CA ASP A 21 7.351 2.071 -7.298 1.00 7.70 C ATOM 329 C ASP A 21 6.818 3.213 -6.385 1.00 7.08 C ATOM 330 O ASP A 21 7.128 3.448 -5.263 1.00 8.11 O ATOM 331 CB ASP A 21 6.564 0.821 -6.897 1.00 11.00 C ATOM 332 CG ASP A 21 6.950 -0.322 -7.708 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.177 -0.150 -8.936 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.995 -1.507 -7.229 1.00 14.36 O ATOM 0 H ASP A 21 9.108 1.144 -6.651 1.00 7.50 H new ATOM 0 HA ASP A 21 7.190 2.320 -8.347 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.739 0.600 -5.844 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.496 1.008 -7.011 1.00 11.00 H new ATOM 339 N THR A 22 5.823 3.993 -6.941 1.00 5.37 N ATOM 340 CA THR A 22 4.960 4.798 -6.112 1.00 6.01 C ATOM 341 C THR A 22 3.942 4.075 -5.314 1.00 8.01 C ATOM 342 O THR A 22 3.554 2.900 -5.559 1.00 8.11 O ATOM 343 CB THR A 22 4.228 5.854 -6.821 1.00 8.92 C ATOM 344 OG1 THR A 22 3.457 5.427 -7.934 1.00 10.22 O ATOM 345 CG2 THR A 22 5.241 6.858 -7.403 1.00 9.65 C ATOM 0 H THR A 22 5.633 4.055 -7.941 1.00 5.37 H new ATOM 0 HA THR A 22 5.714 5.217 -5.445 1.00 6.01 H new ATOM 0 HB THR A 22 3.550 6.261 -6.071 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.008 6.199 -8.336 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.708 7.648 -7.932 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.826 7.295 -6.594 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.907 6.343 -8.095 1.00 9.65 H new ATOM 353 N ILE A 23 3.389 4.738 -4.203 1.00 8.32 N ATOM 354 CA ILE A 23 2.265 4.192 -3.384 1.00 9.92 C ATOM 355 C ILE A 23 1.052 3.811 -4.277 1.00 10.01 C ATOM 356 O ILE A 23 0.425 2.787 -4.102 1.00 8.71 O ATOM 357 CB ILE A 23 1.887 5.260 -2.366 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.999 5.442 -1.309 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.531 4.995 -1.642 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.402 4.133 -0.570 1.00 12.30 C ATOM 0 H ILE A 23 3.722 5.646 -3.879 1.00 8.32 H new ATOM 0 HA ILE A 23 2.573 3.277 -2.878 1.00 9.92 H new ATOM 0 HB ILE A 23 1.767 6.174 -2.948 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.882 5.857 -1.795 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.667 6.174 -0.572 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.333 5.800 -0.934 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.272 4.954 -2.378 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.583 4.046 -1.108 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.188 4.351 0.154 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.534 3.726 -0.052 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.767 3.404 -1.294 1.00 12.30 H new ATOM 372 N GLU A 24 0.814 4.672 -5.271 1.00 9.54 N ATOM 373 CA GLU A 24 -0.269 4.473 -6.239 1.00 11.81 C ATOM 374 C GLU A 24 -0.019 3.266 -7.167 1.00 11.14 C ATOM 375 O GLU A 24 -0.985 2.534 -7.478 1.00 10.62 O ATOM 376 CB GLU A 24 -0.664 5.762 -6.979 1.00 19.24 C ATOM 377 CG GLU A 24 -1.679 5.533 -8.140 1.00 27.76 C ATOM 378 CD GLU A 24 -2.191 6.830 -8.702 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.596 7.389 -9.652 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.248 7.324 -8.202 1.00 36.51 O ATOM 0 H GLU A 24 1.361 5.519 -5.427 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.153 4.210 -5.659 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.095 6.463 -6.264 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.235 6.229 -7.381 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.200 4.958 -8.933 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.517 4.939 -7.777 1.00 27.76 H new ATOM 387 N ASN A 25 1.262 2.930 -7.508 1.00 9.43 N ATOM 388 CA ASN A 25 1.627 1.779 -8.280 1.00 10.96 C ATOM 389 C ASN A 25 1.495 0.456 -7.493 1.00 9.68 C ATOM 390 O ASN A 25 1.174 -0.535 -8.066 1.00 9.33 O ATOM 391 CB ASN A 25 3.120 1.928 -8.743 1.00 16.78 C ATOM 392 CG ASN A 25 3.283 1.238 -10.085 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.514 0.017 -10.131 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.107 1.883 -11.246 1.00 24.70 N ATOM 0 H ASN A 25 2.066 3.492 -7.228 1.00 9.43 H new ATOM 0 HA ASN A 25 0.941 1.732 -9.126 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.387 2.982 -8.825 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.790 1.485 -8.006 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.164 1.372 -12.127 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.916 2.885 -11.249 1.00 24.70 H new ATOM 401 N VAL A 26 1.747 0.466 -6.145 1.00 6.52 N ATOM 402 CA VAL A 26 1.497 -0.564 -5.178 1.00 5.53 C ATOM 403 C VAL A 26 -0.025 -0.877 -5.206 1.00 4.42 C ATOM 404 O VAL A 26 -0.358 -2.035 -5.307 1.00 3.40 O ATOM 405 CB VAL A 26 1.924 -0.156 -3.842 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.518 -1.150 -2.853 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.461 -0.052 -3.833 1.00 8.12 C ATOM 0 H VAL A 26 2.168 1.285 -5.707 1.00 6.52 H new ATOM 0 HA VAL A 26 2.072 -1.456 -5.428 1.00 5.53 H new ATOM 0 HB VAL A 26 1.466 0.801 -3.594 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.843 -0.832 -1.863 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.433 -1.251 -2.863 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.974 -2.110 -3.094 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.799 0.252 -2.842 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.893 -1.021 -4.082 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.780 0.687 -4.568 1.00 8.12 H new ATOM 417 N LYS A 27 -0.930 0.148 -5.114 1.00 2.64 N ATOM 418 CA LYS A 27 -2.369 -0.012 -5.069 1.00 4.14 C ATOM 419 C LYS A 27 -2.970 -0.800 -6.318 1.00 5.58 C ATOM 420 O LYS A 27 -3.939 -1.504 -6.164 1.00 4.11 O ATOM 421 CB LYS A 27 -3.127 1.388 -5.068 1.00 3.97 C ATOM 422 CG LYS A 27 -2.891 2.232 -3.791 1.00 7.45 C ATOM 423 CD LYS A 27 -3.750 3.475 -3.870 1.00 9.02 C ATOM 424 CE LYS A 27 -3.198 4.564 -2.946 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.073 5.682 -3.078 1.00 15.47 N ATOM 0 H LYS A 27 -0.640 1.125 -5.070 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.528 -0.573 -4.148 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.806 1.964 -5.936 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.196 1.210 -5.181 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.144 1.653 -2.903 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.839 2.504 -3.706 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.779 3.840 -4.897 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.775 3.235 -3.588 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.164 4.217 -1.913 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.179 4.832 -3.226 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.551 6.558 -2.871 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.443 5.721 -4.049 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.864 5.584 -2.410 1.00 15.47 H new ATOM 439 N ALA A 28 -2.423 -0.689 -7.507 1.00 6.61 N ATOM 440 CA ALA A 28 -2.846 -1.461 -8.696 1.00 7.74 C ATOM 441 C ALA A 28 -2.627 -2.878 -8.451 1.00 9.17 C ATOM 442 O ALA A 28 -3.478 -3.704 -8.849 1.00 11.45 O ATOM 443 CB ALA A 28 -2.007 -1.032 -9.914 1.00 7.68 C ATOM 0 H ALA A 28 -1.652 -0.049 -7.699 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.902 -1.274 -8.891 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.319 -1.601 -10.790 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.155 0.032 -10.101 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.952 -1.222 -9.715 1.00 7.68 H new ATOM 449 N LYS A 29 -1.524 -3.311 -7.801 1.00 8.96 N ATOM 450 CA LYS A 29 -1.272 -4.693 -7.381 1.00 7.90 C ATOM 451 C LYS A 29 -2.243 -5.238 -6.403 1.00 6.92 C ATOM 452 O LYS A 29 -2.622 -6.395 -6.439 1.00 6.87 O ATOM 453 CB LYS A 29 0.147 -4.718 -6.769 1.00 10.28 C ATOM 454 CG LYS A 29 1.257 -4.098 -7.661 1.00 14.94 C ATOM 455 CD LYS A 29 2.575 -3.951 -6.899 1.00 19.69 C ATOM 456 CE LYS A 29 3.675 -3.315 -7.674 1.00 22.63 C ATOM 457 NZ LYS A 29 4.274 -4.293 -8.715 1.00 24.98 N ATOM 0 H LYS A 29 -0.763 -2.680 -7.549 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.376 -5.330 -8.259 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.126 -4.185 -5.818 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.414 -5.752 -6.549 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.412 -4.725 -8.539 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.933 -3.121 -8.020 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.395 -3.362 -6.000 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.902 -4.938 -6.573 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.298 -2.427 -8.182 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.458 -2.984 -6.992 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.848 -3.762 -9.400 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.872 -4.992 -8.230 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.504 -4.783 -9.214 1.00 24.98 H new ATOM 471 N ILE A 30 -2.616 -4.377 -5.446 1.00 4.57 N ATOM 472 CA ILE A 30 -3.682 -4.676 -4.524 1.00 5.58 C ATOM 473 C ILE A 30 -5.062 -4.771 -5.151 1.00 7.26 C ATOM 474 O ILE A 30 -5.853 -5.662 -4.803 1.00 9.46 O ATOM 475 CB ILE A 30 -3.728 -3.777 -3.307 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.589 -4.088 -2.384 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.044 -4.010 -2.506 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.229 -2.930 -1.467 1.00 2.00 C ATOM 0 H ILE A 30 -2.182 -3.465 -5.303 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.412 -5.677 -4.187 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.669 -2.747 -3.660 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.847 -4.956 -1.778 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.715 -4.361 -2.975 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.060 -3.356 -1.635 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.901 -3.789 -3.142 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.093 -5.049 -2.180 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.398 -3.220 -0.824 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.940 -2.067 -2.067 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.091 -2.672 -0.851 1.00 2.00 H new ATOM 490 N GLN A 31 -5.429 -3.870 -6.130 1.00 7.06 N ATOM 491 CA GLN A 31 -6.698 -3.978 -6.893 1.00 8.67 C ATOM 492 C GLN A 31 -6.748 -5.327 -7.726 1.00 10.90 C ATOM 493 O GLN A 31 -7.800 -5.926 -7.889 1.00 9.63 O ATOM 494 CB GLN A 31 -6.762 -2.741 -7.873 1.00 9.12 C ATOM 495 CG GLN A 31 -7.822 -2.912 -9.006 1.00 10.76 C ATOM 496 CD GLN A 31 -7.906 -1.701 -9.953 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.000 -1.117 -10.085 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.884 -1.340 -10.794 1.00 14.76 N ATOM 0 H GLN A 31 -4.856 -3.070 -6.397 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.546 -3.984 -6.208 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.993 -1.843 -7.300 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.780 -2.589 -8.322 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.581 -3.802 -9.587 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.800 -3.080 -8.556 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.975 -1.795 -10.716 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.034 -0.616 -11.497 1.00 14.76 H new ATOM 507 N ASP A 32 -5.569 -5.791 -8.251 1.00 10.93 N ATOM 508 CA ASP A 32 -5.383 -7.077 -8.935 1.00 14.01 C ATOM 509 C ASP A 32 -5.678 -8.268 -8.085 1.00 14.04 C ATOM 510 O ASP A 32 -6.371 -9.201 -8.457 1.00 13.39 O ATOM 511 CB ASP A 32 -3.926 -7.070 -9.483 1.00 18.01 C ATOM 512 CG ASP A 32 -3.692 -8.237 -10.443 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.491 -8.449 -11.314 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.581 -8.818 -10.498 1.00 25.17 O ATOM 0 H ASP A 32 -4.706 -5.249 -8.198 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.107 -7.175 -9.744 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.732 -6.128 -9.997 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.222 -7.131 -8.653 1.00 18.01 H new ATOM 519 N LYS A 33 -5.194 -8.167 -6.837 1.00 14.22 N ATOM 520 CA LYS A 33 -5.446 -9.167 -5.845 1.00 14.00 C ATOM 521 C LYS A 33 -6.918 -9.292 -5.365 1.00 12.37 C ATOM 522 O LYS A 33 -7.405 -10.386 -5.162 1.00 12.17 O ATOM 523 CB LYS A 33 -4.547 -8.846 -4.612 1.00 18.62 C ATOM 524 CG LYS A 33 -3.086 -9.297 -4.881 1.00 24.00 C ATOM 525 CD LYS A 33 -2.901 -10.822 -4.626 1.00 27.61 C ATOM 526 CE LYS A 33 -1.425 -11.148 -4.210 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.254 -12.626 -4.250 1.00 30.06 N ATOM 0 H LYS A 33 -4.623 -7.387 -6.511 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.220 -10.123 -6.317 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.572 -7.777 -4.403 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.935 -9.353 -3.728 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.817 -9.064 -5.911 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.407 -8.735 -4.239 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.584 -11.149 -3.842 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.160 -11.379 -5.527 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.722 -10.664 -4.888 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.217 -10.767 -3.210 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.281 -12.870 -3.977 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.921 -13.071 -3.587 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.441 -12.971 -5.213 1.00 30.06 H new ATOM 541 N GLU A 34 -7.555 -8.107 -5.116 1.00 10.11 N ATOM 542 CA GLU A 34 -8.702 -8.131 -4.201 1.00 10.07 C ATOM 543 C GLU A 34 -9.870 -7.289 -4.727 1.00 9.32 C ATOM 544 O GLU A 34 -10.923 -7.261 -4.082 1.00 11.61 O ATOM 545 CB GLU A 34 -8.224 -7.591 -2.845 1.00 14.77 C ATOM 546 CG GLU A 34 -7.343 -8.578 -2.077 1.00 18.75 C ATOM 547 CD GLU A 34 -8.096 -9.718 -1.448 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.928 -9.552 -0.504 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.824 -10.862 -1.904 1.00 25.19 O ATOM 0 H GLU A 34 -7.308 -7.199 -5.509 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.071 -9.153 -4.108 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.668 -6.667 -3.005 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.092 -7.339 -2.236 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.594 -8.984 -2.757 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.806 -8.038 -1.297 1.00 18.75 H new ATOM 556 N GLY A 35 -9.781 -6.505 -5.831 1.00 7.22 N ATOM 557 CA GLY A 35 -10.872 -5.787 -6.419 1.00 6.29 C ATOM 558 C GLY A 35 -11.151 -4.475 -5.752 1.00 6.93 C ATOM 559 O GLY A 35 -12.308 -3.995 -5.734 1.00 7.41 O ATOM 0 H GLY A 35 -8.903 -6.370 -6.332 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.655 -5.611 -7.473 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.769 -6.405 -6.377 1.00 6.29 H new ATOM 563 N ILE A 36 -10.113 -3.913 -5.123 1.00 5.86 N ATOM 564 CA ILE A 36 -10.247 -2.672 -4.309 1.00 6.07 C ATOM 565 C ILE A 36 -9.777 -1.570 -5.179 1.00 6.36 C ATOM 566 O ILE A 36 -8.554 -1.620 -5.420 1.00 6.18 O ATOM 567 CB ILE A 36 -9.498 -2.661 -2.941 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.808 -3.995 -2.096 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.865 -1.399 -2.169 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.769 -4.036 -0.928 1.00 9.49 C ATOM 0 H ILE A 36 -9.165 -4.288 -5.154 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.290 -2.576 -4.007 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.423 -2.652 -3.123 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.827 -3.980 -1.708 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.719 -4.881 -2.725 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.341 -1.392 -1.213 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.576 -0.522 -2.748 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.941 -1.380 -1.993 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.938 -4.926 -0.322 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.760 -4.063 -1.339 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.884 -3.148 -0.307 1.00 9.49 H new ATOM 582 N PRO A 37 -10.529 -0.591 -5.632 1.00 8.65 N ATOM 583 CA PRO A 37 -9.992 0.421 -6.571 1.00 9.18 C ATOM 584 C PRO A 37 -8.892 1.250 -5.895 1.00 9.85 C ATOM 585 O PRO A 37 -9.044 1.480 -4.677 1.00 8.51 O ATOM 586 CB PRO A 37 -11.151 1.347 -7.023 1.00 11.42 C ATOM 587 CG PRO A 37 -12.410 0.741 -6.319 1.00 9.27 C ATOM 588 CD PRO A 37 -12.014 -0.493 -5.532 1.00 8.33 C ATOM 0 HA PRO A 37 -9.558 -0.081 -7.436 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.980 2.379 -6.718 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.261 1.349 -8.107 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.857 1.480 -5.654 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.165 0.483 -7.062 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.330 -0.409 -4.492 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.491 -1.384 -5.939 1.00 8.33 H new ATOM 596 N PRO A 38 -7.836 1.725 -6.550 1.00 8.71 N ATOM 597 CA PRO A 38 -6.913 2.708 -5.965 1.00 9.08 C ATOM 598 C PRO A 38 -7.394 3.996 -5.295 1.00 9.28 C ATOM 599 O PRO A 38 -6.808 4.443 -4.309 1.00 6.50 O ATOM 600 CB PRO A 38 -5.981 3.065 -7.147 1.00 10.31 C ATOM 601 CG PRO A 38 -5.964 1.771 -7.996 1.00 10.81 C ATOM 602 CD PRO A 38 -7.399 1.304 -7.858 1.00 12.00 C ATOM 0 HA PRO A 38 -6.499 2.216 -5.084 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.361 3.914 -7.716 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.982 3.333 -6.804 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.693 1.964 -9.034 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.255 1.038 -7.613 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.026 1.739 -8.636 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.467 0.221 -7.961 1.00 12.00 H new ATOM 610 N ASP A 39 -8.574 4.526 -5.740 1.00 11.20 N ATOM 611 CA ASP A 39 -9.355 5.591 -5.160 1.00 14.96 C ATOM 612 C ASP A 39 -9.951 5.187 -3.821 1.00 13.99 C ATOM 613 O ASP A 39 -10.347 5.998 -3.005 1.00 13.75 O ATOM 614 CB ASP A 39 -10.551 5.993 -6.123 1.00 24.16 C ATOM 615 CG ASP A 39 -9.908 6.818 -7.200 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.301 7.811 -6.877 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.918 6.386 -8.343 1.00 34.22 O ATOM 0 H ASP A 39 -9.014 4.167 -6.587 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.678 6.433 -5.016 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.040 5.111 -6.537 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.315 6.561 -5.591 1.00 24.16 H new ATOM 622 N GLN A 40 -10.094 3.895 -3.526 1.00 11.60 N ATOM 623 CA GLN A 40 -10.606 3.421 -2.197 1.00 10.76 C ATOM 624 C GLN A 40 -9.470 3.107 -1.162 1.00 8.01 C ATOM 625 O GLN A 40 -9.539 3.318 0.031 1.00 8.96 O ATOM 626 CB GLN A 40 -11.565 2.229 -2.410 1.00 11.14 C ATOM 627 CG GLN A 40 -12.286 1.600 -1.190 1.00 14.85 C ATOM 628 CD GLN A 40 -13.377 0.595 -1.624 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.262 -0.649 -1.480 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.549 1.185 -2.045 1.00 18.16 N ATOM 0 H GLN A 40 -9.868 3.142 -4.175 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.162 4.241 -1.743 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.333 2.550 -3.113 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.997 1.437 -2.898 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.556 1.094 -0.558 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.737 2.389 -0.588 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.601 2.198 -2.149 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.364 0.608 -2.252 1.00 18.16 H new ATOM 639 N GLN A 41 -8.413 2.560 -1.684 1.00 6.52 N ATOM 640 CA GLN A 41 -7.301 2.212 -0.804 1.00 3.87 C ATOM 641 C GLN A 41 -6.604 3.416 -0.157 1.00 4.79 C ATOM 642 O GLN A 41 -6.302 4.449 -0.794 1.00 6.34 O ATOM 643 CB GLN A 41 -6.222 1.369 -1.572 1.00 4.20 C ATOM 644 CG GLN A 41 -6.717 0.016 -2.093 1.00 3.20 C ATOM 645 CD GLN A 41 -5.640 -0.637 -2.981 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.527 -0.671 -2.543 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.980 -1.031 -4.213 1.00 7.13 N ATOM 0 H GLN A 41 -8.283 2.346 -2.673 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.756 1.630 -0.002 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.855 1.955 -2.415 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.374 1.199 -0.909 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.955 -0.640 -1.255 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.636 0.151 -2.663 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.952 -0.972 -4.517 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.267 -1.390 -4.848 1.00 7.13 H new ATOM 656 N ARG A 42 -6.161 3.278 1.119 1.00 5.73 N ATOM 657 CA ARG A 42 -5.223 4.198 1.802 1.00 6.97 C ATOM 658 C ARG A 42 -4.201 3.331 2.507 1.00 7.15 C ATOM 659 O ARG A 42 -4.521 2.361 3.164 1.00 7.33 O ATOM 660 CB ARG A 42 -5.860 5.086 2.890 1.00 13.23 C ATOM 661 CG ARG A 42 -6.878 6.112 2.354 1.00 21.27 C ATOM 662 CD ARG A 42 -7.284 7.060 3.449 1.00 26.14 C ATOM 663 NE ARG A 42 -8.126 8.141 2.817 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.194 8.805 3.342 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.676 8.410 4.496 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.700 9.912 2.736 1.00 36.39 N ATOM 0 H ARG A 42 -6.455 2.503 1.714 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.823 4.864 1.037 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.356 4.447 3.620 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.069 5.618 3.418 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.442 6.668 1.524 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.756 5.596 1.966 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.847 6.536 4.221 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.406 7.489 3.931 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.860 8.411 1.870 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.252 7.620 4.982 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.475 8.893 4.907 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.280 10.258 1.874 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.500 10.396 3.144 1.00 36.39 H new ATOM 680 N LEU A 43 -2.890 3.575 2.309 1.00 4.65 N ATOM 681 CA LEU A 43 -1.835 2.676 2.835 1.00 3.51 C ATOM 682 C LEU A 43 -1.113 3.259 4.022 1.00 5.56 C ATOM 683 O LEU A 43 -0.930 4.438 4.071 1.00 4.19 O ATOM 684 CB LEU A 43 -0.781 2.256 1.718 1.00 3.74 C ATOM 685 CG LEU A 43 -1.421 1.389 0.596 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.379 1.045 -0.524 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.043 0.093 1.121 1.00 6.41 C ATOM 0 H LEU A 43 -2.535 4.380 1.793 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.362 1.781 3.165 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.346 3.153 1.277 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.034 1.701 2.182 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.222 1.998 0.177 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.858 0.438 -1.293 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.006 1.967 -0.970 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.452 0.490 -0.089 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.473 -0.467 0.290 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.275 -0.509 1.606 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.826 0.331 1.841 1.00 6.41 H new ATOM 699 N ILE A 44 -0.629 2.377 4.924 1.00 4.58 N ATOM 700 CA ILE A 44 -0.005 2.750 6.230 1.00 5.55 C ATOM 701 C ILE A 44 1.343 2.060 6.403 1.00 5.46 C ATOM 702 O ILE A 44 1.472 0.836 6.117 1.00 6.04 O ATOM 703 CB ILE A 44 -1.035 2.383 7.360 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.301 3.235 7.328 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.322 2.299 8.757 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.068 3.223 8.666 1.00 13.90 C ATOM 0 H ILE A 44 -0.657 1.369 4.771 1.00 4.58 H new ATOM 0 HA ILE A 44 0.210 3.818 6.277 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.414 1.382 7.157 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.035 4.262 7.077 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.957 2.873 6.536 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.053 2.044 9.524 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.452 1.533 8.725 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.130 3.262 8.993 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.958 3.846 8.581 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.362 2.202 8.908 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.427 3.612 9.457 1.00 13.90 H new ATOM 718 N PHE A 45 2.395 2.815 6.755 1.00 6.75 N ATOM 719 CA PHE A 45 3.576 2.194 7.219 1.00 4.70 C ATOM 720 C PHE A 45 4.149 2.987 8.371 1.00 6.34 C ATOM 721 O PHE A 45 4.189 4.195 8.344 1.00 5.45 O ATOM 722 CB PHE A 45 4.603 2.167 6.077 1.00 5.51 C ATOM 723 CG PHE A 45 5.966 1.682 6.348 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.238 0.275 6.615 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.051 2.618 6.483 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.485 -0.199 6.929 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.308 2.131 6.871 1.00 6.64 C ATOM 728 CZ PHE A 45 8.509 0.748 7.161 1.00 6.84 C ATOM 0 H PHE A 45 2.423 3.834 6.717 1.00 6.75 H new ATOM 0 HA PHE A 45 3.349 1.181 7.550 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.189 1.552 5.278 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.687 3.182 5.688 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.419 -0.427 6.563 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.901 3.670 6.290 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.679 -1.259 6.997 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.139 2.816 6.952 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.456 0.420 7.563 1.00 6.84 H new ATOM 738 N ALA A 46 4.606 2.343 9.457 1.00 6.53 N ATOM 739 CA ALA A 46 5.119 2.897 10.685 1.00 7.15 C ATOM 740 C ALA A 46 4.119 3.902 11.291 1.00 9.00 C ATOM 741 O ALA A 46 4.460 4.950 11.857 1.00 11.15 O ATOM 742 CB ALA A 46 6.567 3.500 10.444 1.00 8.99 C ATOM 0 H ALA A 46 4.620 1.323 9.482 1.00 6.53 H new ATOM 0 HA ALA A 46 5.231 2.108 11.429 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.947 3.917 11.377 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.236 2.712 10.099 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.513 4.286 9.691 1.00 8.99 H new ATOM 748 N GLY A 47 2.784 3.581 11.203 1.00 9.35 N ATOM 749 CA GLY A 47 1.643 4.389 11.590 1.00 11.68 C ATOM 750 C GLY A 47 1.290 5.504 10.687 1.00 11.14 C ATOM 751 O GLY A 47 0.303 6.212 10.849 1.00 13.93 O ATOM 0 H GLY A 47 2.490 2.679 10.829 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.776 3.735 11.680 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.836 4.800 12.581 1.00 11.68 H new ATOM 755 N LYS A 48 2.189 5.804 9.735 1.00 10.47 N ATOM 756 CA LYS A 48 1.921 6.980 8.907 1.00 8.82 C ATOM 757 C LYS A 48 1.256 6.577 7.595 1.00 7.68 C ATOM 758 O LYS A 48 1.663 5.596 6.988 1.00 6.47 O ATOM 759 CB LYS A 48 3.207 7.682 8.621 1.00 9.74 C ATOM 760 CG LYS A 48 4.148 7.734 9.862 1.00 14.14 C ATOM 761 CD LYS A 48 5.138 8.919 9.830 1.00 16.32 C ATOM 762 CE LYS A 48 6.150 9.097 8.657 1.00 20.04 C ATOM 763 NZ LYS A 48 6.940 7.929 8.422 1.00 23.92 N ATOM 0 H LYS A 48 3.046 5.289 9.531 1.00 10.47 H new ATOM 0 HA LYS A 48 1.245 7.644 9.446 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.719 7.176 7.802 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.996 8.698 8.286 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.542 7.800 10.766 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.710 6.802 9.922 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.543 9.831 9.878 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.722 8.870 10.749 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.604 9.349 7.748 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.809 9.937 8.877 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.594 8.105 7.633 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.485 7.700 9.278 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.317 7.131 8.184 1.00 23.92 H new ATOM 777 N GLN A 49 0.274 7.402 7.286 1.00 8.89 N ATOM 778 CA GLN A 49 -0.446 7.349 6.069 1.00 7.18 C ATOM 779 C GLN A 49 0.382 7.763 4.865 1.00 8.23 C ATOM 780 O GLN A 49 0.970 8.848 4.891 1.00 9.70 O ATOM 781 CB GLN A 49 -1.831 8.062 6.147 1.00 11.67 C ATOM 782 CG GLN A 49 -2.840 7.276 6.996 1.00 15.82 C ATOM 783 CD GLN A 49 -4.261 7.815 6.851 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.124 7.145 6.224 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.413 9.092 7.250 1.00 20.67 N ATOM 0 H GLN A 49 -0.040 8.146 7.910 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.674 6.295 5.908 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.702 9.059 6.569 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.228 8.191 5.140 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.820 6.227 6.702 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.542 7.319 8.044 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.661 9.562 7.755 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.280 9.590 7.048 1.00 20.67 H new ATOM 794 N LEU A 50 0.364 7.005 3.783 1.00 6.51 N ATOM 795 CA LEU A 50 1.326 7.133 2.688 1.00 7.41 C ATOM 796 C LEU A 50 0.687 7.805 1.550 1.00 8.27 C ATOM 797 O LEU A 50 -0.374 7.433 1.006 1.00 8.34 O ATOM 798 CB LEU A 50 1.759 5.704 2.281 1.00 7.13 C ATOM 799 CG LEU A 50 2.310 4.802 3.416 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.662 3.438 2.971 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.410 5.509 4.198 1.00 9.11 C ATOM 0 H LEU A 50 -0.327 6.270 3.632 1.00 6.51 H new ATOM 0 HA LEU A 50 2.190 7.721 2.996 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.902 5.202 1.831 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.523 5.785 1.508 1.00 7.13 H new ATOM 0 HG LEU A 50 1.493 4.637 4.118 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.040 2.865 3.818 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.777 2.947 2.567 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.430 3.494 2.199 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.776 4.851 4.987 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.230 5.761 3.526 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.012 6.421 4.642 1.00 9.11 H new ATOM 813 N GLU A 51 1.362 8.894 1.027 1.00 9.43 N ATOM 814 CA GLU A 51 0.898 9.752 -0.091 1.00 11.90 C ATOM 815 C GLU A 51 0.954 9.078 -1.422 1.00 11.49 C ATOM 816 O GLU A 51 1.895 8.374 -1.740 1.00 9.88 O ATOM 817 CB GLU A 51 1.735 11.042 -0.219 1.00 16.56 C ATOM 818 CG GLU A 51 1.656 11.836 1.137 1.00 26.06 C ATOM 819 CD GLU A 51 2.675 12.933 1.229 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.911 12.728 1.105 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.171 14.072 1.501 1.00 33.44 O ATOM 0 H GLU A 51 2.266 9.191 1.394 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.137 9.977 0.165 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.771 10.798 -0.453 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.359 11.656 -1.038 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.659 12.263 1.245 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.798 11.144 1.967 1.00 26.06 H new ATOM 828 N ASP A 52 -0.051 9.330 -2.301 1.00 12.71 N ATOM 829 CA ASP A 52 -0.309 8.545 -3.494 1.00 16.56 C ATOM 830 C ASP A 52 0.784 8.563 -4.601 1.00 15.83 C ATOM 831 O ASP A 52 1.097 7.542 -5.134 1.00 17.21 O ATOM 832 CB ASP A 52 -1.696 8.941 -4.111 1.00 21.05 C ATOM 833 CG ASP A 52 -2.736 9.053 -2.959 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.901 8.078 -2.211 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.285 10.175 -2.808 1.00 25.82 O ATOM 0 H ASP A 52 -0.705 10.103 -2.180 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.304 7.517 -3.133 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.617 9.889 -4.643 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -2.015 8.193 -4.837 1.00 21.05 H new ATOM 840 N GLY A 53 1.359 9.718 -4.935 1.00 15.00 N ATOM 841 CA GLY A 53 2.411 9.908 -5.908 1.00 11.77 C ATOM 842 C GLY A 53 3.819 9.817 -5.243 1.00 11.10 C ATOM 843 O GLY A 53 4.856 10.057 -5.841 1.00 11.25 O ATOM 0 H GLY A 53 1.077 10.596 -4.500 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.326 9.154 -6.691 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.295 10.880 -6.388 1.00 11.77 H new ATOM 847 N ARG A 54 3.933 9.506 -3.949 1.00 8.53 N ATOM 848 CA ARG A 54 5.210 9.302 -3.274 1.00 9.05 C ATOM 849 C ARG A 54 5.759 7.883 -3.534 1.00 8.96 C ATOM 850 O ARG A 54 4.998 6.952 -3.768 1.00 11.60 O ATOM 851 CB ARG A 54 4.904 9.507 -1.739 1.00 7.97 C ATOM 852 CG ARG A 54 6.120 9.773 -0.846 1.00 9.62 C ATOM 853 CD ARG A 54 6.937 11.051 -1.139 1.00 12.20 C ATOM 854 NE ARG A 54 6.068 12.227 -0.712 1.00 18.23 N ATOM 855 CZ ARG A 54 5.695 13.209 -1.558 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.396 13.412 -2.665 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.786 14.068 -1.150 1.00 23.38 N ATOM 0 H ARG A 54 3.127 9.388 -3.335 1.00 8.53 H new ATOM 0 HA ARG A 54 5.970 9.994 -3.637 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.211 10.342 -1.634 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.392 8.619 -1.368 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.778 9.819 0.188 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.790 8.917 -0.922 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.878 11.044 -0.589 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.187 11.118 -2.198 1.00 12.20 H new ATOM 0 HE ARG A 54 5.754 12.274 0.257 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.207 12.829 -2.869 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.124 14.152 -3.313 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.384 13.980 -0.217 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.483 14.822 -1.767 1.00 23.38 H new ATOM 871 N THR A 55 7.092 7.639 -3.615 1.00 9.05 N ATOM 872 CA THR A 55 7.661 6.289 -3.763 1.00 9.03 C ATOM 873 C THR A 55 8.010 5.648 -2.433 1.00 8.15 C ATOM 874 O THR A 55 8.103 6.321 -1.362 1.00 5.91 O ATOM 875 CB THR A 55 8.865 6.155 -4.719 1.00 11.15 C ATOM 876 OG1 THR A 55 9.965 6.960 -4.272 1.00 11.95 O ATOM 877 CG2 THR A 55 8.480 6.591 -6.179 1.00 11.71 C ATOM 0 H THR A 55 7.796 8.377 -3.579 1.00 9.05 H new ATOM 0 HA THR A 55 6.838 5.752 -4.235 1.00 9.03 H new ATOM 0 HB THR A 55 9.158 5.105 -4.721 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.766 6.402 -4.190 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.347 6.486 -6.831 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.672 5.959 -6.546 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.153 7.631 -6.174 1.00 11.71 H new ATOM 885 N LEU A 56 8.147 4.309 -2.457 1.00 6.91 N ATOM 886 CA LEU A 56 8.595 3.420 -1.404 1.00 8.29 C ATOM 887 C LEU A 56 9.983 3.738 -0.939 1.00 8.05 C ATOM 888 O LEU A 56 10.254 3.761 0.288 1.00 10.17 O ATOM 889 CB LEU A 56 8.725 2.005 -1.991 1.00 6.60 C ATOM 890 CG LEU A 56 7.372 1.346 -2.236 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.511 0.197 -3.236 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.663 0.877 -0.966 1.00 8.64 C ATOM 0 H LEU A 56 7.921 3.786 -3.303 1.00 6.91 H new ATOM 0 HA LEU A 56 7.878 3.517 -0.589 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.276 2.054 -2.930 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.309 1.385 -1.310 1.00 6.60 H new ATOM 0 HG LEU A 56 6.733 2.123 -2.656 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.536 -0.263 -3.400 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.894 0.582 -4.181 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.202 -0.548 -2.841 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.709 0.420 -1.229 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.285 0.145 -0.451 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.488 1.730 -0.311 1.00 8.64 H new ATOM 904 N SER A 57 10.944 4.147 -1.864 1.00 8.92 N ATOM 905 CA SER A 57 12.282 4.635 -1.515 1.00 9.00 C ATOM 906 C SER A 57 12.254 5.933 -0.746 1.00 9.44 C ATOM 907 O SER A 57 13.065 6.084 0.182 1.00 10.91 O ATOM 908 CB SER A 57 13.223 4.799 -2.754 1.00 10.32 C ATOM 909 OG SER A 57 12.900 5.817 -3.735 1.00 13.59 O ATOM 0 H SER A 57 10.775 4.133 -2.870 1.00 8.92 H new ATOM 0 HA SER A 57 12.689 3.854 -0.872 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.228 5.002 -2.383 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.262 3.840 -3.271 1.00 10.32 H new ATOM 0 HG SER A 57 13.571 5.807 -4.449 1.00 13.59 H new ATOM 915 N ASP A 58 11.290 6.843 -0.996 1.00 9.11 N ATOM 916 CA ASP A 58 11.162 8.127 -0.292 1.00 7.91 C ATOM 917 C ASP A 58 10.869 7.976 1.226 1.00 9.12 C ATOM 918 O ASP A 58 11.183 8.830 2.087 1.00 8.61 O ATOM 919 CB ASP A 58 10.015 8.905 -0.878 1.00 8.41 C ATOM 920 CG ASP A 58 10.227 9.341 -2.328 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.356 9.762 -2.672 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.267 9.388 -3.119 1.00 11.70 O ATOM 0 H ASP A 58 10.570 6.700 -1.704 1.00 9.11 H new ATOM 0 HA ASP A 58 12.121 8.631 -0.413 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.112 8.297 -0.822 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.841 9.790 -0.266 1.00 8.41 H new ATOM 927 N TYR A 59 10.297 6.819 1.568 1.00 7.97 N ATOM 928 CA TYR A 59 9.848 6.523 2.902 1.00 8.45 C ATOM 929 C TYR A 59 10.858 5.648 3.595 1.00 10.98 C ATOM 930 O TYR A 59 10.673 5.205 4.746 1.00 12.95 O ATOM 931 CB TYR A 59 8.554 5.846 2.879 1.00 7.94 C ATOM 932 CG TYR A 59 7.347 6.805 2.648 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.168 7.887 3.493 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.396 6.512 1.666 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.003 8.648 3.346 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.273 7.355 1.491 1.00 6.52 C ATOM 937 CZ TYR A 59 5.107 8.432 2.304 1.00 6.76 C ATOM 938 OH TYR A 59 4.090 9.315 2.205 1.00 7.63 O ATOM 0 H TYR A 59 10.137 6.060 0.906 1.00 7.97 H new ATOM 0 HA TYR A 59 9.739 7.463 3.443 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.563 5.092 2.092 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.413 5.320 3.823 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.905 8.136 4.242 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.519 5.641 1.040 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.793 9.427 4.064 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.551 7.144 0.716 1.00 6.52 H new ATOM 0 HH TYR A 59 4.438 10.184 1.914 1.00 7.63 H new ATOM 948 N ASN A 60 12.010 5.355 2.930 1.00 12.38 N ATOM 949 CA ASN A 60 13.045 4.496 3.463 1.00 13.94 C ATOM 950 C ASN A 60 12.442 3.016 3.684 1.00 14.16 C ATOM 951 O ASN A 60 12.746 2.394 4.665 1.00 14.26 O ATOM 952 CB ASN A 60 13.879 5.157 4.605 1.00 19.23 C ATOM 953 CG ASN A 60 15.142 4.414 4.880 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.548 3.463 4.181 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.924 4.921 5.860 1.00 24.09 N ATOM 0 H ASN A 60 12.225 5.723 2.003 1.00 12.38 H new ATOM 0 HA ASN A 60 13.847 4.352 2.740 1.00 13.94 H new ATOM 0 HB2 ASN A 60 14.116 6.185 4.332 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.279 5.199 5.514 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.849 4.526 6.030 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.589 5.698 6.429 1.00 24.09 H new ATOM 962 N ILE A 61 11.627 2.465 2.756 1.00 11.08 N ATOM 963 CA ILE A 61 11.099 1.163 2.903 1.00 11.78 C ATOM 964 C ILE A 61 12.098 0.083 2.360 1.00 13.74 C ATOM 965 O ILE A 61 12.683 0.173 1.306 1.00 14.60 O ATOM 966 CB ILE A 61 9.673 1.100 2.260 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.718 1.788 3.221 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.301 -0.430 2.014 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.422 2.327 2.477 1.00 11.42 C ATOM 0 H ILE A 61 11.340 2.939 1.900 1.00 11.08 H new ATOM 0 HA ILE A 61 10.976 0.926 3.960 1.00 11.78 H new ATOM 0 HB ILE A 61 9.620 1.606 1.296 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.424 1.089 4.004 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.229 2.618 3.710 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.310 -0.496 1.566 1.00 13.29 H new ATOM 0 HG22 ILE A 61 10.033 -0.879 1.343 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.305 -0.963 2.965 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.764 2.812 3.198 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.714 3.046 1.711 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.897 1.493 2.011 1.00 11.42 H new ATOM 981 N GLN A 62 12.226 -1.029 3.046 1.00 13.97 N ATOM 982 CA GLN A 62 13.144 -2.146 2.677 1.00 15.52 C ATOM 983 C GLN A 62 12.341 -3.459 2.641 1.00 13.94 C ATOM 984 O GLN A 62 11.129 -3.489 2.912 1.00 12.15 O ATOM 985 CB GLN A 62 14.344 -2.282 3.587 1.00 19.53 C ATOM 986 CG GLN A 62 14.009 -2.626 5.045 1.00 26.38 C ATOM 987 CD GLN A 62 15.297 -2.661 5.862 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.147 -3.535 5.689 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.523 -1.710 6.768 1.00 32.71 N ATOM 0 H GLN A 62 11.696 -1.212 3.898 1.00 13.97 H new ATOM 0 HA GLN A 62 13.553 -1.915 1.693 1.00 15.52 H new ATOM 0 HB2 GLN A 62 15.000 -3.055 3.187 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.905 -1.347 3.568 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.323 -1.886 5.457 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.505 -3.591 5.097 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.829 -0.979 6.924 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.390 -1.714 7.306 1.00 32.71 H new ATOM 998 N LYS A 63 12.993 -4.596 2.316 1.00 11.73 N ATOM 999 CA LYS A 63 12.441 -5.936 2.293 1.00 11.97 C ATOM 1000 C LYS A 63 11.657 -6.434 3.540 1.00 10.41 C ATOM 1001 O LYS A 63 11.874 -6.100 4.683 1.00 9.59 O ATOM 1002 CB LYS A 63 13.492 -6.932 1.895 1.00 13.73 C ATOM 1003 CG LYS A 63 14.691 -7.024 2.879 1.00 16.98 C ATOM 1004 CD LYS A 63 15.594 -8.220 2.428 1.00 20.19 C ATOM 1005 CE LYS A 63 16.858 -8.338 3.310 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.731 -9.507 2.967 1.00 25.97 N ATOM 0 H LYS A 63 13.977 -4.584 2.049 1.00 11.73 H new ATOM 0 HA LYS A 63 11.656 -5.856 1.541 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.030 -7.916 1.810 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.868 -6.670 0.906 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.260 -6.094 2.875 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.337 -7.177 3.898 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.024 -9.148 2.481 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.887 -8.084 1.387 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.441 -7.422 3.217 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.555 -8.418 4.354 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.557 -9.521 3.599 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.192 -10.389 3.083 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.051 -9.424 1.981 1.00 25.97 H new ATOM 1020 N GLU A 64 10.572 -7.099 3.195 1.00 10.04 N ATOM 1021 CA GLU A 64 9.759 -7.732 4.310 1.00 10.94 C ATOM 1022 C GLU A 64 9.022 -6.729 5.207 1.00 9.74 C ATOM 1023 O GLU A 64 8.392 -7.171 6.186 1.00 9.42 O ATOM 1024 CB GLU A 64 10.506 -8.865 5.072 1.00 18.31 C ATOM 1025 CG GLU A 64 10.955 -9.913 4.115 1.00 24.16 C ATOM 1026 CD GLU A 64 11.409 -11.089 4.855 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.546 -11.037 6.084 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.593 -12.133 4.142 1.00 32.61 O ATOM 0 H GLU A 64 10.223 -7.231 2.246 1.00 10.04 H new ATOM 0 HA GLU A 64 8.950 -8.250 3.796 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.365 -8.453 5.602 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.849 -9.304 5.823 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.138 -10.184 3.447 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.762 -9.529 3.491 1.00 24.16 H new ATOM 1035 N SER A 65 8.925 -5.452 4.751 1.00 6.85 N ATOM 1036 CA SER A 65 8.118 -4.489 5.377 1.00 6.90 C ATOM 1037 C SER A 65 6.649 -4.881 5.448 1.00 4.72 C ATOM 1038 O SER A 65 6.098 -5.376 4.472 1.00 3.91 O ATOM 1039 CB SER A 65 8.255 -3.132 4.741 1.00 7.28 C ATOM 1040 OG SER A 65 9.531 -2.578 4.883 1.00 10.56 O ATOM 0 H SER A 65 9.425 -5.106 3.932 1.00 6.85 H new ATOM 0 HA SER A 65 8.490 -4.437 6.400 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.017 -3.211 3.680 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.523 -2.456 5.183 1.00 7.28 H new ATOM 0 HG SER A 65 10.113 -2.910 4.168 1.00 10.56 H new ATOM 1046 N THR A 66 6.058 -4.463 6.606 1.00 4.48 N ATOM 1047 CA THR A 66 4.670 -4.703 6.784 1.00 3.80 C ATOM 1048 C THR A 66 3.966 -3.421 6.469 1.00 4.60 C ATOM 1049 O THR A 66 4.186 -2.344 7.089 1.00 5.33 O ATOM 1050 CB THR A 66 4.400 -5.212 8.205 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.924 -6.585 8.420 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.877 -5.374 8.362 1.00 3.40 C ATOM 0 H THR A 66 6.529 -3.984 7.373 1.00 4.48 H new ATOM 0 HA THR A 66 4.298 -5.483 6.120 1.00 3.80 H new ATOM 0 HB THR A 66 4.866 -4.506 8.893 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.732 -6.868 9.338 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.651 -5.736 9.365 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.391 -4.411 8.205 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.510 -6.090 7.627 1.00 3.40 H new ATOM 1060 N LEU A 67 3.057 -3.450 5.511 1.00 4.17 N ATOM 1061 CA LEU A 67 2.155 -2.387 5.264 1.00 3.85 C ATOM 1062 C LEU A 67 0.880 -2.738 5.936 1.00 3.80 C ATOM 1063 O LEU A 67 0.573 -3.863 6.269 1.00 5.54 O ATOM 1064 CB LEU A 67 2.024 -2.167 3.743 1.00 7.18 C ATOM 1065 CG LEU A 67 2.818 -0.920 3.193 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.342 -0.956 3.450 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.636 -0.659 1.591 1.00 11.66 C ATOM 0 H LEU A 67 2.939 -4.242 4.879 1.00 4.17 H new ATOM 0 HA LEU A 67 2.501 -1.436 5.668 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.374 -3.061 3.228 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.969 -2.049 3.495 1.00 7.18 H new ATOM 0 HG LEU A 67 2.361 -0.114 3.767 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.802 -0.058 3.037 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.529 -0.998 4.523 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.771 -1.837 2.972 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.215 0.216 1.297 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.989 -1.530 1.038 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.583 -0.489 1.367 1.00 11.66 H new ATOM 1079 N HIS A 68 0.050 -1.721 6.267 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.307 -1.935 6.571 1.00 4.17 C ATOM 1081 C HIS A 68 -2.226 -1.235 5.628 1.00 5.32 C ATOM 1082 O HIS A 68 -1.864 -0.174 5.127 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.497 -1.428 7.968 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.909 -2.346 9.007 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.444 -2.574 9.231 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.591 -2.939 10.002 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.514 -3.348 10.325 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.706 -3.544 10.855 1.00 16.30 N ATOM 0 H HIS A 68 0.342 -0.745 6.319 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.551 -2.993 6.478 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.038 -0.444 8.058 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.562 -1.302 8.162 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.665 -2.939 10.112 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.429 -3.759 10.726 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.928 -4.042 11.717 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.393 -1.828 5.355 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.370 -1.386 4.419 1.00 3.97 C ATOM 1098 C LEU A 69 -5.654 -1.078 5.198 1.00 5.07 C ATOM 1099 O LEU A 69 -6.085 -1.855 6.009 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.662 -2.466 3.342 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.777 -2.278 2.304 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.710 -0.965 1.529 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.838 -3.528 1.401 1.00 9.96 C ATOM 0 H LEU A 69 -3.676 -2.686 5.827 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.998 -0.502 3.901 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.736 -2.621 2.789 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.875 -3.394 3.873 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.720 -2.185 2.842 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.536 -0.919 0.819 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.782 -0.128 2.224 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.764 -0.909 0.990 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.628 -3.403 0.660 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.882 -3.658 0.894 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.048 -4.407 2.010 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.261 0.160 4.947 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.454 0.714 5.576 1.00 6.26 C ATOM 1117 C VAL A 70 -8.078 1.476 4.496 1.00 9.22 C ATOM 1118 O VAL A 70 -7.361 1.893 3.564 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.204 1.636 6.828 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.441 0.823 7.912 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.394 2.919 6.447 1.00 8.54 C ATOM 0 H VAL A 70 -5.874 0.800 4.253 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.062 -0.090 5.991 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.169 1.963 7.216 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.264 1.454 8.783 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.037 -0.041 8.206 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.486 0.485 7.509 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.241 3.530 7.336 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.427 2.630 6.035 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.948 3.492 5.704 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.398 1.626 4.451 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.067 2.098 3.230 1.00 16.06 C ATOM 1133 C LEU A 71 -10.634 3.567 3.339 1.00 18.09 C ATOM 1134 O LEU A 71 -9.945 4.428 3.791 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.252 1.195 2.811 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.865 -0.313 2.581 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.963 -1.003 1.835 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.616 -0.521 1.769 1.00 19.57 C ATOM 0 H LEU A 71 -10.025 1.432 5.232 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.273 2.067 2.484 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.023 1.247 3.579 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.689 1.590 1.894 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.698 -0.715 3.580 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.694 -2.047 1.676 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.885 -0.950 2.413 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.110 -0.515 0.871 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.426 -1.589 1.661 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.744 -0.074 0.783 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.772 -0.051 2.274 1.00 19.57 H new