USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.992 (180deg=0.884) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -118:sc= 0.376 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.197 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.28) USER MOD Single : A 29 LYS NZ :NH3+ -133:sc= 1.26 (180deg=0.986) USER MOD Single : A 31 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.065) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.696 K(o=0.7,f=-1.9e-05) USER MOD Single : A 41 GLN : amide:sc= 0.96 K(o=0.96,f=-2.9!) 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=-0.11) USER MOD Single : A 55 THR OG1 : rot -83:sc= 0.913 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.018 USER MOD Single : A 60 ASN : amide:sc=-0.00545 X(o=-0.0054,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92: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=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.179 -7.076 -4.272 1.00 9.67 N ATOM 2 CA MET A 1 11.829 -7.742 -3.010 1.00 10.38 C ATOM 3 C MET A 1 10.338 -7.903 -2.806 1.00 9.62 C ATOM 4 O MET A 1 9.470 -7.379 -3.491 1.00 9.62 O ATOM 5 CB MET A 1 12.338 -6.796 -1.887 1.00 13.77 C ATOM 6 CG MET A 1 11.468 -5.521 -1.520 1.00 16.29 C ATOM 7 SD MET A 1 11.515 -4.287 -2.836 1.00 17.17 S ATOM 8 CE MET A 1 10.835 -2.839 -2.036 1.00 16.11 C ATOM 0 H1 MET A 1 13.022 -7.528 -4.681 1.00 9.67 H new ATOM 0 H2 MET A 1 11.385 -7.156 -4.939 1.00 9.67 H new ATOM 0 H3 MET A 1 12.379 -6.072 -4.091 1.00 9.67 H new ATOM 0 HA MET A 1 12.267 -8.740 -3.008 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.455 -7.390 -0.981 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.332 -6.449 -2.171 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.436 -5.823 -1.340 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.838 -5.081 -0.594 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.811 -2.010 -2.743 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.822 -3.054 -1.694 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.456 -2.570 -1.182 1.00 16.11 H new ATOM 20 N GLN A 2 9.940 -8.568 -1.686 1.00 9.27 N ATOM 21 CA GLN A 2 8.560 -8.669 -1.303 1.00 9.07 C ATOM 22 C GLN A 2 8.221 -7.624 -0.278 1.00 8.72 C ATOM 23 O GLN A 2 9.018 -7.128 0.487 1.00 8.22 O ATOM 24 CB GLN A 2 8.359 -10.082 -0.654 1.00 14.46 C ATOM 25 CG GLN A 2 8.393 -11.221 -1.706 1.00 17.01 C ATOM 26 CD GLN A 2 8.390 -12.621 -1.054 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.482 -12.779 0.148 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.394 -13.662 -1.968 1.00 19.49 N ATOM 0 H GLN A 2 10.584 -9.035 -1.048 1.00 9.27 H new ATOM 0 HA GLN A 2 7.921 -8.527 -2.175 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.138 -10.253 0.089 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.405 -10.105 -0.127 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.531 -11.128 -2.367 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.283 -11.113 -2.326 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.313 -13.465 -2.966 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.477 -14.625 -1.643 1.00 19.49 H new ATOM 37 N ILE A 3 6.907 -7.315 -0.179 1.00 5.87 N ATOM 38 CA ILE A 3 6.280 -6.525 0.913 1.00 5.07 C ATOM 39 C ILE A 3 5.130 -7.261 1.343 1.00 4.01 C ATOM 40 O ILE A 3 4.464 -7.972 0.547 1.00 4.61 O ATOM 41 CB ILE A 3 5.915 -5.064 0.615 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.038 -4.981 -0.685 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.229 -4.312 0.462 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.744 -3.492 -1.073 1.00 10.83 C ATOM 0 H ILE A 3 6.229 -7.618 -0.879 1.00 5.87 H new ATOM 0 HA ILE A 3 7.041 -6.410 1.685 1.00 5.07 H new ATOM 0 HB ILE A 3 5.323 -4.622 1.416 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.552 -5.479 -1.507 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.099 -5.511 -0.528 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.025 -3.263 0.248 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.802 -4.389 1.386 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.802 -4.745 -0.358 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.135 -3.465 -1.977 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.208 -3.003 -0.259 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.684 -2.971 -1.253 1.00 10.83 H new ATOM 56 N PHE A 4 4.784 -7.181 2.654 1.00 4.55 N ATOM 57 CA PHE A 4 3.634 -7.795 3.321 1.00 4.68 C ATOM 58 C PHE A 4 2.584 -6.793 3.607 1.00 5.30 C ATOM 59 O PHE A 4 2.874 -5.729 4.119 1.00 5.58 O ATOM 60 CB PHE A 4 4.028 -8.551 4.607 1.00 4.83 C ATOM 61 CG PHE A 4 5.128 -9.517 4.380 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.143 -10.465 3.314 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.038 -9.803 5.468 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.195 -11.466 3.288 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.986 -10.793 5.421 1.00 10.61 C ATOM 66 CZ PHE A 4 7.019 -11.682 4.350 1.00 8.90 C ATOM 0 H PHE A 4 5.351 -6.644 3.310 1.00 4.55 H new ATOM 0 HA PHE A 4 3.232 -8.532 2.626 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.330 -7.833 5.369 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.158 -9.080 4.995 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.388 -10.439 2.542 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.967 -9.205 6.365 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.328 -12.059 2.396 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.710 -10.883 6.218 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.688 -12.530 4.362 1.00 8.90 H new ATOM 76 N VAL A 5 1.401 -6.996 3.092 1.00 4.44 N ATOM 77 CA VAL A 5 0.264 -6.099 3.359 1.00 3.87 C ATOM 78 C VAL A 5 -0.816 -6.725 4.167 1.00 4.93 C ATOM 79 O VAL A 5 -1.245 -7.882 3.999 1.00 6.84 O ATOM 80 CB VAL A 5 -0.283 -5.577 1.982 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.588 -4.766 2.126 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.785 -4.763 1.255 1.00 9.13 C ATOM 0 H VAL A 5 1.179 -7.778 2.476 1.00 4.44 H new ATOM 0 HA VAL A 5 0.623 -5.271 3.970 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.527 -6.455 1.385 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.919 -4.431 1.143 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.359 -5.393 2.574 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.410 -3.900 2.763 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.388 -4.410 0.303 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.072 -3.909 1.868 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.659 -5.389 1.074 1.00 9.13 H new ATOM 92 N LYS A 6 -1.247 -6.080 5.258 1.00 6.04 N ATOM 93 CA LYS A 6 -2.336 -6.496 6.186 1.00 6.12 C ATOM 94 C LYS A 6 -3.542 -5.606 5.911 1.00 6.57 C ATOM 95 O LYS A 6 -3.568 -4.406 6.103 1.00 5.76 O ATOM 96 CB LYS A 6 -1.896 -6.190 7.595 1.00 7.45 C ATOM 97 CG LYS A 6 -0.916 -7.298 8.094 1.00 11.12 C ATOM 98 CD LYS A 6 -0.353 -7.095 9.448 1.00 14.54 C ATOM 99 CE LYS A 6 -1.273 -7.138 10.662 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.860 -8.471 10.814 1.00 20.55 N ATOM 0 H LYS A 6 -0.826 -5.196 5.545 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.565 -7.554 6.056 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.407 -5.216 7.630 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.763 -6.135 8.253 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.439 -8.254 8.078 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.091 -7.374 7.385 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.418 -7.851 9.597 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.146 -6.126 9.451 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.713 -6.876 11.560 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.064 -6.396 10.553 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.484 -8.483 11.646 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.411 -8.707 9.964 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.102 -9.172 10.940 1.00 20.55 H new ATOM 114 N THR A 7 -4.650 -6.216 5.409 1.00 7.41 N ATOM 115 CA THR A 7 -5.885 -5.571 5.108 1.00 7.48 C ATOM 116 C THR A 7 -6.743 -5.235 6.347 1.00 8.75 C ATOM 117 O THR A 7 -6.444 -5.702 7.468 1.00 8.58 O ATOM 118 CB THR A 7 -6.726 -6.166 3.929 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.629 -7.170 4.360 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.776 -6.782 2.878 1.00 9.17 C ATOM 0 H THR A 7 -4.671 -7.216 5.207 1.00 7.41 H new ATOM 0 HA THR A 7 -5.535 -4.621 4.705 1.00 7.48 H new ATOM 0 HB THR A 7 -7.306 -5.347 3.504 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.132 -7.510 3.591 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.361 -7.196 2.057 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.108 -6.010 2.494 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.187 -7.574 3.340 1.00 9.17 H new ATOM 128 N LEU A 8 -7.798 -4.380 6.163 1.00 9.84 N ATOM 129 CA LEU A 8 -8.566 -3.955 7.243 1.00 14.15 C ATOM 130 C LEU A 8 -9.352 -5.083 7.818 1.00 17.37 C ATOM 131 O LEU A 8 -9.476 -5.229 9.036 1.00 17.01 O ATOM 132 CB LEU A 8 -9.463 -2.834 6.753 1.00 16.63 C ATOM 133 CG LEU A 8 -10.153 -2.120 7.877 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.220 -1.606 8.937 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.930 -0.929 7.294 1.00 18.59 C ATOM 0 H LEU A 8 -8.087 -4.007 5.259 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.927 -3.590 8.047 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.869 -2.120 6.183 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.210 -3.242 6.072 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.806 -2.848 8.358 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.795 -1.102 9.714 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.671 -2.440 9.374 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.516 -0.902 8.492 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.439 -0.398 8.098 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.237 -0.253 6.793 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.666 -1.291 6.576 1.00 18.59 H new ATOM 147 N THR A 9 -9.910 -5.971 7.006 1.00 18.33 N ATOM 148 CA THR A 9 -10.559 -7.260 7.468 1.00 19.24 C ATOM 149 C THR A 9 -9.639 -8.295 8.051 1.00 19.48 C ATOM 150 O THR A 9 -10.038 -9.007 8.973 1.00 23.14 O ATOM 151 CB THR A 9 -11.392 -7.895 6.429 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.573 -8.362 5.346 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.289 -6.765 5.885 1.00 19.70 C ATOM 0 H THR A 9 -9.942 -5.846 5.994 1.00 18.33 H new ATOM 0 HA THR A 9 -11.186 -6.906 8.286 1.00 19.24 H new ATOM 0 HB THR A 9 -11.949 -8.739 6.835 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.139 -8.782 4.665 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.940 -7.161 5.105 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.897 -6.361 6.695 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.665 -5.973 5.470 1.00 19.70 H new ATOM 161 N GLY A 10 -8.376 -8.308 7.653 1.00 19.43 N ATOM 162 CA GLY A 10 -7.310 -8.934 8.400 1.00 18.74 C ATOM 163 C GLY A 10 -6.455 -9.865 7.624 1.00 17.62 C ATOM 164 O GLY A 10 -5.434 -10.303 8.134 1.00 19.74 O ATOM 0 H GLY A 10 -8.063 -7.874 6.785 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.678 -8.153 8.823 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.746 -9.479 9.237 1.00 18.74 H new ATOM 168 N LYS A 11 -6.797 -10.185 6.366 1.00 13.56 N ATOM 169 CA LYS A 11 -5.980 -10.870 5.434 1.00 11.91 C ATOM 170 C LYS A 11 -4.556 -10.240 5.210 1.00 10.18 C ATOM 171 O LYS A 11 -4.382 -9.045 5.010 1.00 9.10 O ATOM 172 CB LYS A 11 -6.686 -10.918 4.017 1.00 13.43 C ATOM 173 CG LYS A 11 -6.121 -11.890 3.029 1.00 16.69 C ATOM 174 CD LYS A 11 -6.963 -11.935 1.751 1.00 17.92 C ATOM 175 CE LYS A 11 -6.581 -13.002 0.694 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.512 -12.945 -0.505 1.00 21.93 N ATOM 0 H LYS A 11 -7.710 -9.945 5.980 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.844 -11.859 5.873 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.739 -11.155 4.167 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.643 -9.921 3.579 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.097 -11.608 2.783 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.080 -12.884 3.475 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.003 -12.097 2.036 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.912 -10.955 1.277 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.553 -12.843 0.368 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.623 -13.994 1.143 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.380 -13.796 -1.088 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.498 -12.899 -0.177 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.296 -12.100 -1.072 1.00 21.93 H new ATOM 190 N THR A 12 -3.565 -11.167 5.131 1.00 9.63 N ATOM 191 CA THR A 12 -2.190 -10.852 4.939 1.00 9.85 C ATOM 192 C THR A 12 -1.769 -11.233 3.512 1.00 11.66 C ATOM 193 O THR A 12 -1.791 -12.433 3.216 1.00 12.33 O ATOM 194 CB THR A 12 -1.201 -11.599 5.958 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.673 -11.548 7.286 1.00 10.91 O ATOM 196 CG2 THR A 12 0.025 -10.722 5.971 1.00 9.63 C ATOM 0 H THR A 12 -3.741 -12.169 5.205 1.00 9.63 H new ATOM 0 HA THR A 12 -2.104 -9.781 5.121 1.00 9.85 H new ATOM 0 HB THR A 12 -1.069 -12.638 5.656 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.044 -12.015 7.875 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.770 -11.148 6.643 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.438 -10.660 4.964 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.246 -9.724 6.315 1.00 9.63 H new ATOM 204 N ILE A 13 -1.468 -10.297 2.664 1.00 10.42 N ATOM 205 CA ILE A 13 -1.200 -10.569 1.268 1.00 11.84 C ATOM 206 C ILE A 13 0.197 -10.075 0.851 1.00 10.55 C ATOM 207 O ILE A 13 0.587 -9.007 1.245 1.00 11.92 O ATOM 208 CB ILE A 13 -2.168 -9.949 0.297 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.303 -8.404 0.490 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.559 -10.657 0.499 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.534 -7.783 -0.215 1.00 16.46 C ATOM 0 H ILE A 13 -1.399 -9.311 2.915 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.293 -11.654 1.211 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.798 -10.092 -0.718 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.360 -8.186 1.556 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.401 -7.922 0.114 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.288 -10.231 -0.191 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.456 -11.724 0.304 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.899 -10.506 1.524 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.555 -6.709 -0.032 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.470 -7.967 -1.287 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.445 -8.235 0.178 1.00 16.46 H new ATOM 223 N THR A 14 0.911 -10.912 0.212 1.00 9.39 N ATOM 224 CA THR A 14 2.285 -10.724 -0.157 1.00 9.63 C ATOM 225 C THR A 14 2.388 -10.220 -1.625 1.00 11.20 C ATOM 226 O THR A 14 1.777 -10.723 -2.539 1.00 11.63 O ATOM 227 CB THR A 14 3.243 -11.848 0.148 1.00 10.38 C ATOM 228 OG1 THR A 14 3.184 -12.233 1.515 1.00 16.30 O ATOM 229 CG2 THR A 14 4.718 -11.548 -0.163 1.00 11.66 C ATOM 0 H THR A 14 0.543 -11.812 -0.096 1.00 9.39 H new ATOM 0 HA THR A 14 2.644 -9.950 0.522 1.00 9.63 H new ATOM 0 HB THR A 14 2.906 -12.645 -0.515 1.00 10.38 H new ATOM 0 HG1 THR A 14 4.055 -12.078 1.936 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.327 -12.416 0.090 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.828 -11.324 -1.224 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.047 -10.691 0.424 1.00 11.66 H new ATOM 237 N LEU A 15 3.163 -9.195 -1.781 1.00 8.29 N ATOM 238 CA LEU A 15 3.238 -8.474 -3.084 1.00 9.03 C ATOM 239 C LEU A 15 4.678 -8.359 -3.515 1.00 8.59 C ATOM 240 O LEU A 15 5.513 -7.932 -2.740 1.00 7.79 O ATOM 241 CB LEU A 15 2.574 -7.045 -2.932 1.00 11.08 C ATOM 242 CG LEU A 15 1.085 -7.046 -2.481 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.681 -5.582 -2.169 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.113 -7.706 -3.471 1.00 15.27 C ATOM 0 H LEU A 15 3.763 -8.814 -1.049 1.00 8.29 H new ATOM 0 HA LEU A 15 2.695 -9.028 -3.849 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.154 -6.468 -2.211 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.646 -6.526 -3.888 1.00 11.08 H new ATOM 0 HG LEU A 15 1.008 -7.671 -1.592 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.361 -5.552 -1.850 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.316 -5.191 -1.374 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.804 -4.972 -3.064 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.900 -7.659 -3.072 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.152 -7.180 -4.425 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.397 -8.748 -3.620 1.00 15.27 H new ATOM 256 N GLU A 16 4.987 -8.799 -4.764 1.00 11.04 N ATOM 257 CA GLU A 16 6.269 -8.585 -5.425 1.00 11.50 C ATOM 258 C GLU A 16 6.535 -7.139 -5.896 1.00 10.13 C ATOM 259 O GLU A 16 5.890 -6.543 -6.783 1.00 9.83 O ATOM 260 CB GLU A 16 6.390 -9.651 -6.579 1.00 17.22 C ATOM 261 CG GLU A 16 5.536 -9.379 -7.828 1.00 23.33 C ATOM 262 CD GLU A 16 4.075 -9.306 -7.481 1.00 26.99 C ATOM 263 OE1 GLU A 16 3.603 -10.113 -6.668 1.00 28.90 O ATOM 264 OE2 GLU A 16 3.387 -8.325 -7.913 1.00 28.86 O ATOM 0 H GLU A 16 4.326 -9.322 -5.338 1.00 11.04 H new ATOM 0 HA GLU A 16 7.061 -8.728 -4.690 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.435 -9.714 -6.882 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.115 -10.627 -6.178 1.00 17.22 H new ATOM 0 HG2 GLU A 16 5.850 -8.443 -8.290 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.699 -10.168 -8.562 1.00 23.33 H new ATOM 271 N VAL A 17 7.575 -6.440 -5.375 1.00 8.99 N ATOM 272 CA VAL A 17 7.829 -5.008 -5.698 1.00 8.85 C ATOM 273 C VAL A 17 9.298 -4.780 -5.903 1.00 8.04 C ATOM 274 O VAL A 17 10.184 -5.572 -5.654 1.00 8.99 O ATOM 275 CB VAL A 17 7.246 -4.072 -4.556 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.717 -3.962 -4.685 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.774 -4.648 -3.197 1.00 10.54 C ATOM 0 H VAL A 17 8.253 -6.843 -4.729 1.00 8.99 H new ATOM 0 HA VAL A 17 7.317 -4.753 -6.626 1.00 8.85 H new ATOM 0 HB VAL A 17 7.584 -3.038 -4.630 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.331 -3.317 -3.896 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.463 -3.538 -5.657 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.272 -4.953 -4.594 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.401 -4.038 -2.374 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.425 -5.674 -3.076 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.864 -4.633 -3.194 1.00 10.54 H new ATOM 287 N GLU A 18 9.615 -3.567 -6.364 1.00 7.29 N ATOM 288 CA GLU A 18 10.949 -3.033 -6.346 1.00 7.08 C ATOM 289 C GLU A 18 10.926 -1.612 -5.750 1.00 6.45 C ATOM 290 O GLU A 18 9.835 -0.993 -5.688 1.00 5.28 O ATOM 291 CB GLU A 18 11.506 -3.023 -7.814 1.00 10.28 C ATOM 292 CG GLU A 18 11.738 -4.465 -8.419 1.00 12.65 C ATOM 293 CD GLU A 18 12.776 -5.290 -7.740 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.865 -4.755 -7.429 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.483 -6.463 -7.478 1.00 18.17 O ATOM 0 H GLU A 18 8.927 -2.929 -6.765 1.00 7.29 H new ATOM 0 HA GLU A 18 11.600 -3.649 -5.726 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.810 -2.479 -8.453 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.449 -2.476 -7.831 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.793 -5.007 -8.391 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.013 -4.359 -9.468 1.00 12.65 H new ATOM 302 N PRO A 19 12.111 -1.082 -5.304 1.00 7.24 N ATOM 303 CA PRO A 19 12.140 0.211 -4.553 1.00 7.07 C ATOM 304 C PRO A 19 11.612 1.410 -5.248 1.00 6.65 C ATOM 305 O PRO A 19 11.186 2.270 -4.495 1.00 6.37 O ATOM 306 CB PRO A 19 13.618 0.364 -4.159 1.00 7.61 C ATOM 307 CG PRO A 19 14.224 -1.073 -4.188 1.00 8.16 C ATOM 308 CD PRO A 19 13.424 -1.697 -5.366 1.00 7.49 C ATOM 0 HA PRO A 19 11.449 0.160 -3.711 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.141 1.021 -4.854 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.713 0.807 -3.168 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.298 -1.066 -4.375 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.067 -1.608 -3.251 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.908 -1.495 -6.321 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.356 -2.780 -5.266 1.00 7.49 H new ATOM 316 N SER A 20 11.603 1.453 -6.583 1.00 6.80 N ATOM 317 CA SER A 20 11.140 2.630 -7.265 1.00 6.28 C ATOM 318 C SER A 20 9.698 2.521 -7.861 1.00 8.45 C ATOM 319 O SER A 20 9.278 3.370 -8.612 1.00 7.26 O ATOM 320 CB SER A 20 11.968 3.026 -8.573 1.00 8.57 C ATOM 321 OG SER A 20 13.236 3.400 -8.193 1.00 11.13 O ATOM 0 H SER A 20 11.908 0.693 -7.191 1.00 6.80 H new ATOM 0 HA SER A 20 11.232 3.349 -6.451 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.013 2.183 -9.262 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.475 3.843 -9.100 1.00 8.57 H new ATOM 0 HG SER A 20 13.757 3.644 -8.987 1.00 11.13 H new ATOM 327 N ASP A 21 9.038 1.428 -7.482 1.00 7.50 N ATOM 328 CA ASP A 21 7.619 1.404 -7.609 1.00 7.70 C ATOM 329 C ASP A 21 6.941 2.416 -6.675 1.00 7.08 C ATOM 330 O ASP A 21 7.442 2.579 -5.607 1.00 8.11 O ATOM 331 CB ASP A 21 7.025 0.003 -7.385 1.00 11.00 C ATOM 332 CG ASP A 21 7.649 -0.957 -8.365 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.026 -0.594 -9.539 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.654 -2.186 -7.975 1.00 18.03 O ATOM 0 H ASP A 21 9.463 0.584 -7.099 1.00 7.50 H new ATOM 0 HA ASP A 21 7.414 1.691 -8.640 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.213 -0.327 -6.363 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.943 0.027 -7.518 1.00 11.00 H new ATOM 339 N THR A 22 5.908 3.146 -7.217 1.00 5.37 N ATOM 340 CA THR A 22 5.189 4.085 -6.392 1.00 6.01 C ATOM 341 C THR A 22 4.111 3.485 -5.501 1.00 8.01 C ATOM 342 O THR A 22 3.662 2.348 -5.548 1.00 8.11 O ATOM 343 CB THR A 22 4.578 5.274 -7.105 1.00 8.92 C ATOM 344 OG1 THR A 22 3.585 4.834 -8.058 1.00 10.22 O ATOM 345 CG2 THR A 22 5.562 6.081 -7.914 1.00 9.65 C ATOM 0 H THR A 22 5.591 3.082 -8.185 1.00 5.37 H new ATOM 0 HA THR A 22 6.016 4.437 -5.775 1.00 6.01 H new ATOM 0 HB THR A 22 4.170 5.888 -6.302 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.198 5.613 -8.510 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.044 6.913 -8.392 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.342 6.468 -7.258 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.012 5.447 -8.678 1.00 9.65 H new ATOM 353 N ILE A 23 3.656 4.277 -4.517 1.00 8.32 N ATOM 354 CA ILE A 23 2.501 3.920 -3.713 1.00 9.92 C ATOM 355 C ILE A 23 1.225 3.688 -4.635 1.00 10.01 C ATOM 356 O ILE A 23 0.462 2.716 -4.402 1.00 8.71 O ATOM 357 CB ILE A 23 2.282 4.902 -2.597 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.546 5.127 -1.728 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.180 4.414 -1.684 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.164 3.793 -1.114 1.00 12.30 C ATOM 0 H ILE A 23 4.080 5.170 -4.267 1.00 8.32 H new ATOM 0 HA ILE A 23 2.693 2.967 -3.219 1.00 9.92 H new ATOM 0 HB ILE A 23 2.018 5.845 -3.075 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.306 5.621 -2.334 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.297 5.807 -0.913 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.030 5.133 -0.879 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.256 4.308 -2.253 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.459 3.449 -1.261 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.044 4.039 -0.521 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.423 3.307 -0.479 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.448 3.118 -1.922 1.00 12.30 H new ATOM 372 N GLU A 24 1.064 4.511 -5.685 1.00 9.54 N ATOM 373 CA GLU A 24 -0.073 4.340 -6.668 1.00 11.81 C ATOM 374 C GLU A 24 0.115 3.002 -7.376 1.00 11.14 C ATOM 375 O GLU A 24 -0.796 2.193 -7.511 1.00 10.62 O ATOM 376 CB GLU A 24 -0.116 5.473 -7.711 1.00 19.24 C ATOM 377 CG GLU A 24 -1.357 5.611 -8.614 1.00 27.76 C ATOM 378 CD GLU A 24 -1.177 6.567 -9.797 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.262 7.820 -9.593 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.032 6.083 -11.026 1.00 34.80 O ATOM 0 H GLU A 24 1.683 5.295 -5.892 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.015 4.372 -6.121 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.010 6.416 -7.178 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.752 5.356 -8.360 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.624 4.626 -8.996 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.195 5.956 -8.008 1.00 27.76 H new ATOM 387 N ASN A 25 1.354 2.622 -7.807 1.00 9.43 N ATOM 388 CA ASN A 25 1.685 1.269 -8.376 1.00 10.96 C ATOM 389 C ASN A 25 1.450 0.106 -7.425 1.00 9.68 C ATOM 390 O ASN A 25 0.930 -0.937 -7.839 1.00 9.33 O ATOM 391 CB ASN A 25 3.208 1.293 -8.859 1.00 16.78 C ATOM 392 CG ASN A 25 3.580 0.088 -9.722 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.318 -0.851 -9.410 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.091 0.147 -10.990 1.00 24.70 N ATOM 0 H ASN A 25 2.160 3.246 -7.771 1.00 9.43 H new ATOM 0 HA ASN A 25 1.001 1.092 -9.206 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.390 2.207 -9.424 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.860 1.323 -7.986 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.336 -0.577 -11.665 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.480 0.916 -11.266 1.00 24.70 H new ATOM 401 N VAL A 26 1.663 0.199 -6.103 1.00 6.52 N ATOM 402 CA VAL A 26 1.141 -0.799 -5.194 1.00 5.53 C ATOM 403 C VAL A 26 -0.397 -0.772 -5.073 1.00 4.42 C ATOM 404 O VAL A 26 -0.958 -1.868 -5.000 1.00 3.40 O ATOM 405 CB VAL A 26 1.709 -0.541 -3.800 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.187 -1.424 -2.674 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.251 -0.651 -3.887 1.00 8.12 C ATOM 0 H VAL A 26 2.188 0.951 -5.656 1.00 6.52 H new ATOM 0 HA VAL A 26 1.434 -1.769 -5.596 1.00 5.53 H new ATOM 0 HB VAL A 26 1.367 0.456 -3.521 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.667 -1.141 -1.737 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.108 -1.296 -2.582 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.411 -2.467 -2.896 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.685 -0.471 -2.903 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.526 -1.649 -4.228 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.629 0.090 -4.591 1.00 8.12 H new ATOM 417 N LYS A 27 -1.161 0.356 -5.104 1.00 2.64 N ATOM 418 CA LYS A 27 -2.604 0.365 -5.116 1.00 4.14 C ATOM 419 C LYS A 27 -3.187 -0.298 -6.315 1.00 5.58 C ATOM 420 O LYS A 27 -4.116 -1.057 -6.328 1.00 4.11 O ATOM 421 CB LYS A 27 -3.294 1.725 -5.006 1.00 3.97 C ATOM 422 CG LYS A 27 -2.802 2.611 -3.856 1.00 7.45 C ATOM 423 CD LYS A 27 -3.666 3.903 -3.636 1.00 9.02 C ATOM 424 CE LYS A 27 -3.318 4.600 -2.311 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.076 5.882 -2.188 1.00 15.47 N ATOM 0 H LYS A 27 -0.756 1.292 -5.121 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.803 -0.189 -4.199 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.155 2.263 -5.944 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.365 1.563 -4.887 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.798 2.027 -2.936 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.771 2.904 -4.051 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.505 4.594 -4.464 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.724 3.639 -3.642 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.558 3.945 -1.473 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.247 4.796 -2.265 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.820 6.353 -1.297 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.839 6.503 -2.988 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.097 5.684 -2.194 1.00 15.47 H new ATOM 439 N ALA A 28 -2.499 -0.214 -7.509 1.00 6.61 N ATOM 440 CA ALA A 28 -2.836 -0.965 -8.680 1.00 7.74 C ATOM 441 C ALA A 28 -2.677 -2.463 -8.562 1.00 9.17 C ATOM 442 O ALA A 28 -3.484 -3.280 -8.980 1.00 11.45 O ATOM 443 CB ALA A 28 -1.849 -0.371 -9.719 1.00 7.68 C ATOM 0 H ALA A 28 -1.693 0.397 -7.640 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.894 -0.874 -8.925 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.996 -0.861 -10.682 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.032 0.698 -9.824 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.825 -0.533 -9.382 1.00 7.68 H new ATOM 449 N LYS A 29 -1.648 -2.861 -7.850 1.00 8.96 N ATOM 450 CA LYS A 29 -1.301 -4.245 -7.558 1.00 7.90 C ATOM 451 C LYS A 29 -2.277 -4.881 -6.609 1.00 6.92 C ATOM 452 O LYS A 29 -2.813 -5.985 -6.725 1.00 6.87 O ATOM 453 CB LYS A 29 0.139 -4.380 -7.003 1.00 10.28 C ATOM 454 CG LYS A 29 0.779 -5.729 -6.957 1.00 14.94 C ATOM 455 CD LYS A 29 2.243 -5.620 -6.449 1.00 19.69 C ATOM 456 CE LYS A 29 3.298 -4.929 -7.328 1.00 22.63 C ATOM 457 NZ LYS A 29 3.607 -5.776 -8.529 1.00 24.98 N ATOM 0 H LYS A 29 -0.993 -2.199 -7.435 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.351 -4.775 -8.509 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.782 -3.732 -7.598 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.138 -3.983 -5.988 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.208 -6.386 -6.301 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.765 -6.179 -7.950 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.219 -5.096 -5.494 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.596 -6.632 -6.249 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.934 -3.952 -7.647 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.207 -4.757 -6.751 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.638 -5.842 -8.651 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.212 -6.729 -8.393 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.185 -5.344 -9.376 1.00 24.98 H new ATOM 471 N ILE A 30 -2.731 -4.121 -5.630 1.00 4.57 N ATOM 472 CA ILE A 30 -3.799 -4.444 -4.623 1.00 5.58 C ATOM 473 C ILE A 30 -5.194 -4.509 -5.249 1.00 7.26 C ATOM 474 O ILE A 30 -5.994 -5.398 -4.854 1.00 9.46 O ATOM 475 CB ILE A 30 -3.773 -3.595 -3.448 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.493 -3.930 -2.581 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.029 -3.692 -2.580 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.256 -2.888 -1.503 1.00 2.00 C ATOM 0 H ILE A 30 -2.353 -3.185 -5.482 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.557 -5.446 -4.268 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.737 -2.568 -3.812 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.613 -4.910 -2.119 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.619 -3.988 -3.230 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.931 -3.027 -1.722 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.900 -3.401 -3.167 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.152 -4.718 -2.232 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.368 -3.154 -0.929 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.110 -1.912 -1.966 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.119 -2.849 -0.839 1.00 2.00 H new ATOM 490 N GLN A 31 -5.467 -3.607 -6.210 1.00 7.06 N ATOM 491 CA GLN A 31 -6.693 -3.565 -7.036 1.00 8.67 C ATOM 492 C GLN A 31 -6.935 -4.883 -7.770 1.00 10.90 C ATOM 493 O GLN A 31 -8.014 -5.441 -7.688 1.00 9.63 O ATOM 494 CB GLN A 31 -6.669 -2.415 -8.037 1.00 9.12 C ATOM 495 CG GLN A 31 -7.853 -2.438 -9.047 1.00 10.76 C ATOM 496 CD GLN A 31 -8.000 -1.044 -9.730 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.996 -0.473 -10.159 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.258 -0.506 -9.741 1.00 14.76 N ATOM 0 H GLN A 31 -4.816 -2.857 -6.443 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.517 -3.401 -6.342 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.686 -1.471 -7.492 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.731 -2.447 -8.591 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.683 -3.206 -9.802 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.777 -2.698 -8.531 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.044 -1.039 -9.368 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.410 0.428 -10.122 1.00 14.76 H new ATOM 507 N ASP A 32 -5.821 -5.422 -8.397 1.00 10.93 N ATOM 508 CA ASP A 32 -5.825 -6.727 -9.033 1.00 14.01 C ATOM 509 C ASP A 32 -5.816 -7.874 -7.990 1.00 14.04 C ATOM 510 O ASP A 32 -6.414 -8.939 -8.276 1.00 13.39 O ATOM 511 CB ASP A 32 -4.678 -6.697 -9.983 1.00 18.01 C ATOM 512 CG ASP A 32 -4.596 -7.908 -10.965 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.219 -9.061 -10.568 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.841 -7.724 -12.215 1.00 26.29 O ATOM 0 H ASP A 32 -4.924 -4.940 -8.454 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.739 -6.937 -9.588 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.735 -5.779 -10.568 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.753 -6.652 -9.409 1.00 18.01 H new ATOM 519 N LYS A 33 -5.147 -7.719 -6.844 1.00 14.22 N ATOM 520 CA LYS A 33 -5.164 -8.788 -5.866 1.00 14.00 C ATOM 521 C LYS A 33 -6.561 -8.997 -5.274 1.00 12.37 C ATOM 522 O LYS A 33 -7.095 -10.116 -5.247 1.00 12.17 O ATOM 523 CB LYS A 33 -4.209 -8.443 -4.773 1.00 18.62 C ATOM 524 CG LYS A 33 -3.891 -9.553 -3.712 1.00 24.00 C ATOM 525 CD LYS A 33 -3.251 -10.875 -4.263 1.00 27.61 C ATOM 526 CE LYS A 33 -2.032 -10.832 -5.174 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.581 -12.200 -5.506 1.00 30.06 N ATOM 0 H LYS A 33 -4.608 -6.893 -6.584 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.874 -9.715 -6.361 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.269 -8.137 -5.232 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.603 -7.575 -4.244 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.217 -9.131 -2.966 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.817 -9.809 -3.197 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.984 -11.485 -3.400 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -4.034 -11.409 -4.801 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.274 -10.291 -6.089 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.225 -10.286 -4.685 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.749 -12.150 -6.128 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.330 -12.705 -4.632 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.346 -12.709 -5.992 1.00 30.06 H new ATOM 541 N GLU A 34 -7.245 -7.851 -4.806 1.00 10.11 N ATOM 542 CA GLU A 34 -8.418 -7.987 -3.981 1.00 10.07 C ATOM 543 C GLU A 34 -9.633 -7.293 -4.549 1.00 9.32 C ATOM 544 O GLU A 34 -10.726 -7.313 -4.002 1.00 11.61 O ATOM 545 CB GLU A 34 -8.138 -7.230 -2.643 1.00 14.77 C ATOM 546 CG GLU A 34 -7.188 -8.115 -1.774 1.00 18.75 C ATOM 547 CD GLU A 34 -7.911 -9.309 -1.178 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.090 -9.201 -0.708 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.300 -10.408 -1.102 1.00 25.19 O ATOM 0 H GLU A 34 -6.970 -6.890 -5.009 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.612 -9.055 -3.886 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.679 -6.262 -2.842 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.070 -7.038 -2.112 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.356 -8.463 -2.386 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.763 -7.511 -0.972 1.00 18.75 H new ATOM 556 N GLY A 35 -9.577 -6.638 -5.725 1.00 7.22 N ATOM 557 CA GLY A 35 -10.698 -5.928 -6.392 1.00 6.29 C ATOM 558 C GLY A 35 -10.854 -4.522 -5.838 1.00 6.93 C ATOM 559 O GLY A 35 -11.743 -3.836 -6.289 1.00 7.41 O ATOM 0 H GLY A 35 -8.713 -6.584 -6.264 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.517 -5.882 -7.466 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.624 -6.485 -6.248 1.00 6.29 H new ATOM 563 N ILE A 36 -10.122 -4.054 -4.817 1.00 5.86 N ATOM 564 CA ILE A 36 -10.360 -2.771 -4.172 1.00 6.07 C ATOM 565 C ILE A 36 -9.826 -1.595 -5.009 1.00 6.36 C ATOM 566 O ILE A 36 -8.586 -1.648 -5.238 1.00 6.18 O ATOM 567 CB ILE A 36 -9.698 -2.648 -2.737 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.003 -3.903 -1.793 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.093 -1.342 -1.983 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.934 -4.136 -0.760 1.00 9.49 C ATOM 0 H ILE A 36 -9.338 -4.570 -4.416 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.445 -2.725 -4.077 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.629 -2.618 -2.946 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.958 -3.749 -1.291 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.107 -4.797 -2.408 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.605 -1.323 -1.009 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.776 -0.476 -2.565 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.174 -1.313 -1.848 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.199 -5.001 -0.151 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.982 -4.320 -1.257 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.846 -3.256 -0.122 1.00 9.49 H new ATOM 582 N PRO A 37 -10.573 -0.568 -5.413 1.00 8.65 N ATOM 583 CA PRO A 37 -10.077 0.518 -6.285 1.00 9.18 C ATOM 584 C PRO A 37 -9.225 1.609 -5.498 1.00 9.85 C ATOM 585 O PRO A 37 -9.478 1.891 -4.335 1.00 8.51 O ATOM 586 CB PRO A 37 -11.345 1.078 -6.939 1.00 11.42 C ATOM 587 CG PRO A 37 -12.501 0.783 -5.913 1.00 9.27 C ATOM 588 CD PRO A 37 -12.050 -0.568 -5.302 1.00 8.33 C ATOM 0 HA PRO A 37 -9.366 0.160 -7.030 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.251 2.147 -7.130 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.538 0.599 -7.899 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.586 1.564 -5.158 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.472 0.706 -6.403 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.367 -0.656 -4.263 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.486 -1.409 -5.841 1.00 8.33 H new ATOM 596 N PRO A 38 -8.219 2.226 -6.152 1.00 8.71 N ATOM 597 CA PRO A 38 -7.244 3.069 -5.488 1.00 9.08 C ATOM 598 C PRO A 38 -7.731 4.332 -4.825 1.00 9.28 C ATOM 599 O PRO A 38 -7.026 4.752 -3.910 1.00 6.50 O ATOM 600 CB PRO A 38 -6.194 3.467 -6.550 1.00 10.31 C ATOM 601 CG PRO A 38 -6.205 2.245 -7.505 1.00 10.81 C ATOM 602 CD PRO A 38 -7.657 1.747 -7.452 1.00 12.00 C ATOM 0 HA PRO A 38 -6.873 2.465 -4.660 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.467 4.388 -7.066 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.211 3.628 -6.108 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.916 2.527 -8.518 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.507 1.475 -7.177 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.233 2.137 -8.291 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.697 0.660 -7.516 1.00 12.00 H new ATOM 610 N ASP A 39 -8.904 4.877 -5.204 1.00 11.20 N ATOM 611 CA ASP A 39 -9.448 6.007 -4.446 1.00 14.96 C ATOM 612 C ASP A 39 -9.955 5.568 -3.101 1.00 13.99 C ATOM 613 O ASP A 39 -9.987 6.301 -2.133 1.00 13.75 O ATOM 614 CB ASP A 39 -10.537 6.655 -5.309 1.00 24.16 C ATOM 615 CG ASP A 39 -11.092 7.949 -4.770 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.403 9.007 -4.870 1.00 35.55 O ATOM 617 OD2 ASP A 39 -12.285 7.884 -4.301 1.00 34.22 O ATOM 0 H ASP A 39 -9.468 4.566 -5.995 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.672 6.742 -4.233 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.130 6.838 -6.304 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.357 5.946 -5.425 1.00 24.16 H new ATOM 622 N GLN A 40 -10.262 4.237 -2.934 1.00 11.60 N ATOM 623 CA GLN A 40 -10.720 3.670 -1.694 1.00 10.76 C ATOM 624 C GLN A 40 -9.647 3.015 -0.816 1.00 8.01 C ATOM 625 O GLN A 40 -9.934 2.400 0.217 1.00 8.96 O ATOM 626 CB GLN A 40 -11.835 2.586 -1.841 1.00 11.14 C ATOM 627 CG GLN A 40 -13.106 3.192 -2.411 1.00 14.85 C ATOM 628 CD GLN A 40 -14.325 2.295 -2.166 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.924 1.894 -3.173 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.600 2.067 -0.880 1.00 18.16 N ATOM 0 H GLN A 40 -10.185 3.553 -3.687 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.099 4.574 -1.217 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.485 1.785 -2.492 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.044 2.139 -0.869 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.277 4.169 -1.959 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.983 3.353 -3.482 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.009 2.470 -0.153 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.401 1.490 -0.624 1.00 18.16 H new ATOM 639 N GLN A 41 -8.386 3.112 -1.306 1.00 6.52 N ATOM 640 CA GLN A 41 -7.267 2.461 -0.653 1.00 3.87 C ATOM 641 C GLN A 41 -6.484 3.522 0.082 1.00 4.79 C ATOM 642 O GLN A 41 -6.238 4.600 -0.505 1.00 6.34 O ATOM 643 CB GLN A 41 -6.300 1.698 -1.556 1.00 4.20 C ATOM 644 CG GLN A 41 -7.020 0.592 -2.347 1.00 3.20 C ATOM 645 CD GLN A 41 -5.997 -0.160 -3.170 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.887 -0.381 -2.648 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.258 -0.489 -4.433 1.00 7.13 N ATOM 0 H GLN A 41 -8.139 3.635 -2.146 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.709 1.702 -0.008 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.824 2.391 -2.249 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.507 1.257 -0.952 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.531 -0.088 -1.666 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.782 1.026 -2.995 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.177 -0.295 -4.831 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.539 -0.935 -5.003 1.00 7.13 H new ATOM 656 N ARG A 42 -6.227 3.231 1.359 1.00 5.73 N ATOM 657 CA ARG A 42 -5.570 4.175 2.263 1.00 6.97 C ATOM 658 C ARG A 42 -4.367 3.475 2.883 1.00 7.15 C ATOM 659 O ARG A 42 -4.544 2.399 3.479 1.00 7.33 O ATOM 660 CB ARG A 42 -6.435 4.685 3.465 1.00 13.23 C ATOM 661 CG ARG A 42 -5.900 5.983 3.994 1.00 21.27 C ATOM 662 CD ARG A 42 -6.760 6.601 5.143 1.00 26.14 C ATOM 663 NE ARG A 42 -6.435 8.039 5.205 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.942 8.930 6.079 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.024 8.693 6.808 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.404 10.162 6.098 1.00 36.39 N ATOM 0 H ARG A 42 -6.467 2.340 1.793 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.334 5.041 1.644 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.469 4.816 3.145 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.439 3.938 4.259 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.885 5.825 4.358 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.837 6.699 3.175 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.823 6.455 4.950 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.539 6.115 6.093 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.764 8.391 4.522 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.513 7.802 6.721 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.368 9.402 7.456 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.639 10.394 5.465 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.761 10.864 6.746 1.00 36.39 H new ATOM 680 N LEU A 43 -3.189 3.932 2.645 1.00 4.65 N ATOM 681 CA LEU A 43 -2.051 3.118 3.033 1.00 3.51 C ATOM 682 C LEU A 43 -1.241 3.784 4.207 1.00 5.56 C ATOM 683 O LEU A 43 -1.025 4.993 4.243 1.00 4.19 O ATOM 684 CB LEU A 43 -1.131 2.785 1.779 1.00 3.74 C ATOM 685 CG LEU A 43 -1.668 1.902 0.632 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.633 1.764 -0.495 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.079 0.509 1.180 1.00 6.41 C ATOM 0 H LEU A 43 -2.973 4.825 2.203 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.430 2.169 3.413 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.828 3.735 1.340 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.228 2.307 2.159 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.549 2.386 0.210 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.040 1.137 -1.288 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.399 2.750 -0.896 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.275 1.307 -0.101 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.456 -0.106 0.363 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.212 0.024 1.629 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.858 0.630 1.933 1.00 6.41 H new ATOM 699 N ILE A 44 -0.863 2.940 5.164 1.00 4.58 N ATOM 700 CA ILE A 44 -0.275 3.343 6.460 1.00 5.55 C ATOM 701 C ILE A 44 0.931 2.422 6.813 1.00 5.46 C ATOM 702 O ILE A 44 0.909 1.200 6.633 1.00 6.04 O ATOM 703 CB ILE A 44 -1.353 3.037 7.550 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.651 3.773 7.195 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.832 3.501 8.942 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.630 3.580 8.253 1.00 13.90 C ATOM 0 H ILE A 44 -0.955 1.929 5.067 1.00 4.58 H new ATOM 0 HA ILE A 44 0.034 4.387 6.413 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.549 1.965 7.588 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.452 4.836 7.060 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.045 3.400 6.250 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.584 3.287 9.702 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.088 2.968 9.182 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.635 4.573 8.918 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.551 4.104 7.997 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.838 2.516 8.367 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.236 3.975 9.190 1.00 13.90 H new ATOM 718 N PHE A 45 2.025 3.010 7.228 1.00 6.75 N ATOM 719 CA PHE A 45 3.183 2.354 7.713 1.00 4.70 C ATOM 720 C PHE A 45 3.921 3.342 8.606 1.00 6.34 C ATOM 721 O PHE A 45 3.990 4.545 8.289 1.00 5.45 O ATOM 722 CB PHE A 45 4.069 1.782 6.576 1.00 5.51 C ATOM 723 CG PHE A 45 5.417 1.290 7.024 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.594 0.059 7.674 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.525 1.968 6.477 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.844 -0.502 7.863 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.815 1.426 6.656 1.00 6.64 C ATOM 728 CZ PHE A 45 7.963 0.239 7.426 1.00 6.84 C ATOM 0 H PHE A 45 2.122 4.025 7.231 1.00 6.75 H new ATOM 0 HA PHE A 45 2.901 1.475 8.292 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.537 0.960 6.097 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.211 2.554 5.820 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.725 -0.468 8.039 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.388 2.889 5.929 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.959 -1.470 8.327 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.677 1.905 6.215 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.955 -0.103 7.682 1.00 6.84 H new ATOM 738 N ALA A 46 4.497 2.849 9.686 1.00 6.53 N ATOM 739 CA ALA A 46 5.506 3.527 10.520 1.00 7.15 C ATOM 740 C ALA A 46 5.077 4.908 11.097 1.00 9.00 C ATOM 741 O ALA A 46 5.893 5.826 11.119 1.00 11.15 O ATOM 742 CB ALA A 46 6.834 3.669 9.741 1.00 8.99 C ATOM 0 H ALA A 46 4.271 1.917 10.034 1.00 6.53 H new ATOM 0 HA ALA A 46 5.632 2.882 11.389 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.571 4.171 10.367 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.203 2.680 9.468 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.665 4.256 8.838 1.00 8.99 H new ATOM 748 N GLY A 47 3.802 5.023 11.533 1.00 9.35 N ATOM 749 CA GLY A 47 3.224 6.346 12.012 1.00 11.68 C ATOM 750 C GLY A 47 2.873 7.321 10.881 1.00 11.14 C ATOM 751 O GLY A 47 2.338 8.376 11.196 1.00 13.93 O ATOM 0 H GLY A 47 3.146 4.243 11.572 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.327 6.147 12.598 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.941 6.823 12.680 1.00 11.68 H new ATOM 755 N LYS A 48 3.175 6.935 9.640 1.00 10.47 N ATOM 756 CA LYS A 48 2.935 7.745 8.409 1.00 8.82 C ATOM 757 C LYS A 48 1.831 7.141 7.585 1.00 7.68 C ATOM 758 O LYS A 48 1.669 5.919 7.396 1.00 6.47 O ATOM 759 CB LYS A 48 4.140 7.784 7.382 1.00 9.74 C ATOM 760 CG LYS A 48 5.418 8.391 8.032 1.00 14.14 C ATOM 761 CD LYS A 48 6.682 7.982 7.271 1.00 16.32 C ATOM 762 CE LYS A 48 7.971 8.111 8.089 1.00 20.04 C ATOM 763 NZ LYS A 48 9.069 7.605 7.313 1.00 23.92 N ATOM 0 H LYS A 48 3.604 6.031 9.441 1.00 10.47 H new ATOM 0 HA LYS A 48 2.732 8.738 8.810 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.353 6.775 7.030 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.858 8.373 6.510 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.338 9.478 8.049 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.493 8.061 9.068 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.576 6.949 6.940 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.769 8.597 6.375 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.146 9.154 8.354 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.882 7.555 9.023 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.949 7.689 7.861 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.899 6.605 7.082 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.155 8.154 6.434 1.00 23.92 H new ATOM 777 N GLN A 49 1.015 8.031 7.031 1.00 8.89 N ATOM 778 CA GLN A 49 0.007 7.681 6.097 1.00 7.18 C ATOM 779 C GLN A 49 0.576 8.014 4.744 1.00 8.23 C ATOM 780 O GLN A 49 1.067 9.113 4.404 1.00 9.70 O ATOM 781 CB GLN A 49 -1.324 8.409 6.243 1.00 11.67 C ATOM 782 CG GLN A 49 -1.983 8.286 7.688 1.00 15.82 C ATOM 783 CD GLN A 49 -3.442 8.843 7.796 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.405 8.093 7.853 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.592 10.165 8.017 1.00 20.67 N ATOM 0 H GLN A 49 1.055 9.029 7.237 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.233 6.630 6.258 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.175 9.464 6.013 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.022 8.017 5.503 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.988 7.236 7.981 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.354 8.814 8.405 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.784 10.785 7.968 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.514 10.545 8.233 1.00 20.67 H new ATOM 794 N LEU A 50 0.539 7.024 3.865 1.00 6.51 N ATOM 795 CA LEU A 50 1.353 7.035 2.689 1.00 7.41 C ATOM 796 C LEU A 50 0.662 7.671 1.422 1.00 8.27 C ATOM 797 O LEU A 50 -0.544 7.573 1.246 1.00 8.34 O ATOM 798 CB LEU A 50 1.873 5.614 2.335 1.00 7.13 C ATOM 799 CG LEU A 50 2.430 4.810 3.512 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.827 3.386 3.137 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.588 5.561 4.175 1.00 9.11 C ATOM 0 H LEU A 50 -0.057 6.201 3.958 1.00 6.51 H new ATOM 0 HA LEU A 50 2.191 7.681 2.949 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.058 5.049 1.883 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.653 5.708 1.579 1.00 7.13 H new ATOM 0 HG LEU A 50 1.620 4.708 4.234 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.214 2.872 4.017 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.955 2.853 2.759 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.597 3.414 2.366 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.972 4.974 5.010 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.383 5.719 3.447 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.234 6.525 4.541 1.00 9.11 H new ATOM 813 N GLU A 51 1.469 8.240 0.497 1.00 9.43 N ATOM 814 CA GLU A 51 0.975 9.129 -0.509 1.00 11.90 C ATOM 815 C GLU A 51 1.338 8.721 -1.900 1.00 11.49 C ATOM 816 O GLU A 51 2.481 8.385 -2.185 1.00 9.88 O ATOM 817 CB GLU A 51 1.484 10.533 -0.242 1.00 16.56 C ATOM 818 CG GLU A 51 1.151 11.625 -1.282 1.00 26.06 C ATOM 819 CD GLU A 51 1.870 12.925 -0.993 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.477 13.660 -0.007 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.907 13.174 -1.623 1.00 32.13 O ATOM 0 H GLU A 51 2.475 8.078 0.451 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.113 9.093 -0.448 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.090 10.856 0.722 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.568 10.484 -0.142 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.425 11.273 -2.277 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.075 11.800 -1.291 1.00 26.06 H new ATOM 828 N ASP A 52 0.350 8.775 -2.828 1.00 12.71 N ATOM 829 CA ASP A 52 0.269 8.022 -4.065 1.00 16.56 C ATOM 830 C ASP A 52 1.520 8.134 -4.980 1.00 15.83 C ATOM 831 O ASP A 52 1.992 7.143 -5.555 1.00 17.21 O ATOM 832 CB ASP A 52 -0.929 8.492 -4.926 1.00 21.05 C ATOM 833 CG ASP A 52 -2.276 8.555 -4.205 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.763 7.447 -3.870 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.792 9.698 -3.905 1.00 25.82 O ATOM 0 H ASP A 52 -0.454 9.391 -2.706 1.00 12.71 H new ATOM 0 HA ASP A 52 0.168 6.990 -3.728 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.703 9.482 -5.322 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.025 7.821 -5.780 1.00 21.05 H new ATOM 840 N GLY A 53 2.033 9.376 -5.128 1.00 15.00 N ATOM 841 CA GLY A 53 3.121 9.746 -6.027 1.00 11.77 C ATOM 842 C GLY A 53 4.495 9.478 -5.514 1.00 11.10 C ATOM 843 O GLY A 53 5.447 9.781 -6.248 1.00 11.25 O ATOM 0 H GLY A 53 1.678 10.172 -4.598 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.991 9.209 -6.967 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.037 10.809 -6.253 1.00 11.77 H new ATOM 847 N ARG A 54 4.695 8.949 -4.299 1.00 8.53 N ATOM 848 CA ARG A 54 5.940 8.681 -3.717 1.00 9.05 C ATOM 849 C ARG A 54 6.331 7.247 -3.957 1.00 8.96 C ATOM 850 O ARG A 54 5.507 6.407 -4.324 1.00 11.60 O ATOM 851 CB ARG A 54 6.013 9.093 -2.275 1.00 7.97 C ATOM 852 CG ARG A 54 5.295 10.423 -1.920 1.00 9.62 C ATOM 853 CD ARG A 54 5.890 11.053 -0.666 1.00 12.20 C ATOM 854 NE ARG A 54 4.882 11.986 -0.153 1.00 18.23 N ATOM 855 CZ ARG A 54 4.984 12.793 0.916 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.964 12.677 1.803 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.137 13.795 0.998 1.00 23.38 N ATOM 0 H ARG A 54 3.918 8.695 -3.689 1.00 8.53 H new ATOM 0 HA ARG A 54 6.685 9.305 -4.211 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.585 8.296 -1.666 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.062 9.181 -1.994 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.379 11.119 -2.755 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.232 10.236 -1.767 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.127 10.291 0.076 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.819 11.574 -0.897 1.00 12.20 H new ATOM 0 HE ARG A 54 4.002 12.027 -0.667 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.675 11.955 1.686 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.006 13.310 2.602 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.439 13.934 0.267 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.178 14.433 1.792 1.00 23.38 H new ATOM 871 N THR A 55 7.621 6.871 -3.870 1.00 9.05 N ATOM 872 CA THR A 55 8.160 5.498 -3.935 1.00 9.03 C ATOM 873 C THR A 55 8.238 4.716 -2.669 1.00 8.15 C ATOM 874 O THR A 55 8.074 5.212 -1.575 1.00 5.91 O ATOM 875 CB THR A 55 9.468 5.493 -4.747 1.00 11.15 C ATOM 876 OG1 THR A 55 10.563 5.986 -3.986 1.00 11.95 O ATOM 877 CG2 THR A 55 9.375 6.306 -6.046 1.00 11.71 C ATOM 0 H THR A 55 8.362 7.561 -3.745 1.00 9.05 H new ATOM 0 HA THR A 55 7.394 4.925 -4.457 1.00 9.03 H new ATOM 0 HB THR A 55 9.634 4.447 -5.005 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.564 6.966 -4.011 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.329 6.262 -6.572 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.592 5.890 -6.680 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.138 7.343 -5.810 1.00 11.71 H new ATOM 885 N LEU A 56 8.530 3.377 -2.856 1.00 6.91 N ATOM 886 CA LEU A 56 8.942 2.512 -1.719 1.00 8.29 C ATOM 887 C LEU A 56 10.269 2.875 -1.087 1.00 8.05 C ATOM 888 O LEU A 56 10.429 2.934 0.139 1.00 10.17 O ATOM 889 CB LEU A 56 8.915 0.988 -2.053 1.00 6.60 C ATOM 890 CG LEU A 56 7.521 0.524 -2.543 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.524 -1.001 -2.837 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.319 0.883 -1.658 1.00 8.64 C ATOM 0 H LEU A 56 8.485 2.901 -3.757 1.00 6.91 H new ATOM 0 HA LEU A 56 8.171 2.717 -0.976 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.659 0.772 -2.820 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.196 0.418 -1.167 1.00 6.60 H new ATOM 0 HG LEU A 56 7.367 1.104 -3.453 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.536 -1.307 -3.180 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.261 -1.221 -3.610 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.778 -1.546 -1.928 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.405 0.501 -2.113 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.447 0.437 -0.672 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.250 1.966 -1.560 1.00 8.64 H new ATOM 904 N SER A 57 11.257 3.265 -1.854 1.00 8.92 N ATOM 905 CA SER A 57 12.580 3.829 -1.491 1.00 9.00 C ATOM 906 C SER A 57 12.400 5.027 -0.565 1.00 9.44 C ATOM 907 O SER A 57 13.019 5.129 0.496 1.00 10.91 O ATOM 908 CB SER A 57 13.382 4.188 -2.756 1.00 10.32 C ATOM 909 OG SER A 57 14.793 4.214 -2.468 1.00 13.59 O ATOM 0 H SER A 57 11.166 3.196 -2.868 1.00 8.92 H new ATOM 0 HA SER A 57 13.156 3.077 -0.951 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.178 3.460 -3.542 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.064 5.160 -3.132 1.00 10.32 H new ATOM 0 HG SER A 57 15.289 4.442 -3.282 1.00 13.59 H new ATOM 915 N ASP A 58 11.503 5.986 -0.923 1.00 9.11 N ATOM 916 CA ASP A 58 11.254 7.210 -0.147 1.00 7.91 C ATOM 917 C ASP A 58 10.705 6.933 1.204 1.00 9.12 C ATOM 918 O ASP A 58 11.078 7.594 2.183 1.00 8.61 O ATOM 919 CB ASP A 58 10.234 8.043 -0.902 1.00 8.41 C ATOM 920 CG ASP A 58 10.785 8.528 -2.228 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.853 9.159 -2.255 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.082 8.413 -3.270 1.00 11.70 O ATOM 0 H ASP A 58 10.933 5.921 -1.767 1.00 9.11 H new ATOM 0 HA ASP A 58 12.207 7.724 -0.021 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.335 7.451 -1.075 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.940 8.899 -0.294 1.00 8.41 H new ATOM 927 N TYR A 59 9.739 5.986 1.313 1.00 7.97 N ATOM 928 CA TYR A 59 9.225 5.652 2.594 1.00 8.45 C ATOM 929 C TYR A 59 10.058 4.628 3.337 1.00 10.98 C ATOM 930 O TYR A 59 9.646 4.052 4.406 1.00 12.95 O ATOM 931 CB TYR A 59 7.758 5.151 2.377 1.00 7.94 C ATOM 932 CG TYR A 59 6.806 6.313 2.188 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.595 7.283 3.244 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.004 6.440 1.062 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.657 8.352 3.077 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.071 7.439 0.947 1.00 6.52 C ATOM 937 CZ TYR A 59 4.858 8.355 1.931 1.00 6.76 C ATOM 938 OH TYR A 59 3.940 9.375 1.682 1.00 7.63 O ATOM 0 H TYR A 59 9.332 5.472 0.531 1.00 7.97 H new ATOM 0 HA TYR A 59 9.254 6.535 3.232 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.719 4.499 1.504 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.444 4.555 3.234 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.151 7.199 4.166 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.118 5.733 0.254 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.570 9.134 3.816 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.484 7.501 0.043 1.00 6.52 H new ATOM 0 HH TYR A 59 4.411 10.233 1.627 1.00 7.63 H new ATOM 948 N ASN A 60 11.309 4.386 2.858 1.00 12.38 N ATOM 949 CA ASN A 60 12.232 3.553 3.508 1.00 13.94 C ATOM 950 C ASN A 60 11.802 2.106 3.658 1.00 14.16 C ATOM 951 O ASN A 60 12.065 1.454 4.658 1.00 14.26 O ATOM 952 CB ASN A 60 12.815 4.145 4.834 1.00 19.23 C ATOM 953 CG ASN A 60 13.464 5.530 4.757 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.443 5.762 4.056 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.789 6.489 5.375 1.00 24.09 N ATOM 0 H ASN A 60 11.663 4.793 1.993 1.00 12.38 H new ATOM 0 HA ASN A 60 13.063 3.526 2.803 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.009 4.190 5.567 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.557 3.445 5.219 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.079 7.462 5.276 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.980 6.254 5.949 1.00 24.09 H new ATOM 962 N ILE A 61 11.135 1.540 2.690 1.00 11.08 N ATOM 963 CA ILE A 61 10.479 0.276 2.720 1.00 11.78 C ATOM 964 C ILE A 61 11.436 -0.761 2.137 1.00 13.74 C ATOM 965 O ILE A 61 11.985 -0.684 1.006 1.00 14.60 O ATOM 966 CB ILE A 61 9.073 0.339 2.065 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.094 1.093 2.925 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.509 -1.096 1.754 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.817 1.576 2.284 1.00 11.42 C ATOM 0 H ILE A 61 11.032 1.998 1.784 1.00 11.08 H new ATOM 0 HA ILE A 61 10.254 -0.032 3.741 1.00 11.78 H new ATOM 0 HB ILE A 61 9.195 0.874 1.123 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.825 0.453 3.765 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.610 1.960 3.337 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.524 -1.008 1.296 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.183 -1.611 1.069 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.429 -1.664 2.681 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.214 2.101 3.025 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.055 2.254 1.464 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.258 0.723 1.899 1.00 11.42 H new ATOM 981 N GLN A 62 11.656 -1.770 3.014 1.00 13.97 N ATOM 982 CA GLN A 62 12.587 -2.883 2.859 1.00 15.52 C ATOM 983 C GLN A 62 11.931 -4.183 2.487 1.00 13.94 C ATOM 984 O GLN A 62 10.756 -4.296 2.774 1.00 12.15 O ATOM 985 CB GLN A 62 13.404 -3.105 4.169 1.00 19.53 C ATOM 986 CG GLN A 62 14.191 -1.807 4.659 1.00 26.38 C ATOM 987 CD GLN A 62 14.631 -1.854 6.137 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.854 -0.834 6.742 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.916 -3.053 6.711 1.00 32.71 N ATOM 0 H GLN A 62 11.151 -1.819 3.899 1.00 13.97 H new ATOM 0 HA GLN A 62 13.238 -2.594 2.034 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.727 -3.429 4.959 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.117 -3.914 4.010 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.073 -1.673 4.033 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.557 -0.933 4.508 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.730 -3.918 6.204 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.316 -3.087 7.649 1.00 32.71 H new ATOM 998 N LYS A 63 12.706 -5.178 1.975 1.00 11.73 N ATOM 999 CA LYS A 63 12.388 -6.563 1.974 1.00 11.97 C ATOM 1000 C LYS A 63 11.677 -7.062 3.234 1.00 10.41 C ATOM 1001 O LYS A 63 12.076 -6.734 4.328 1.00 9.59 O ATOM 1002 CB LYS A 63 13.662 -7.379 1.696 1.00 13.73 C ATOM 1003 CG LYS A 63 14.853 -7.112 2.635 1.00 16.98 C ATOM 1004 CD LYS A 63 16.140 -7.741 2.106 1.00 20.19 C ATOM 1005 CE LYS A 63 17.299 -7.734 3.151 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.587 -8.180 2.545 1.00 25.97 N ATOM 0 H LYS A 63 13.608 -4.986 1.538 1.00 11.73 H new ATOM 0 HA LYS A 63 11.660 -6.709 1.176 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.411 -8.438 1.752 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.980 -7.181 0.672 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.993 -6.037 2.749 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.633 -7.511 3.625 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.938 -8.768 1.804 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.460 -7.203 1.214 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.416 -6.730 3.558 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.042 -8.388 3.984 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.335 -8.163 3.268 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.482 -9.148 2.178 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.844 -7.541 1.766 1.00 25.97 H new ATOM 1020 N GLU A 64 10.524 -7.705 3.010 1.00 10.04 N ATOM 1021 CA GLU A 64 9.599 -8.309 4.009 1.00 10.94 C ATOM 1022 C GLU A 64 9.183 -7.311 5.057 1.00 9.74 C ATOM 1023 O GLU A 64 9.129 -7.580 6.252 1.00 9.42 O ATOM 1024 CB GLU A 64 10.278 -9.513 4.622 1.00 18.31 C ATOM 1025 CG GLU A 64 10.651 -10.516 3.465 1.00 24.16 C ATOM 1026 CD GLU A 64 11.194 -11.904 3.973 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.898 -11.933 5.037 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.091 -12.916 3.250 1.00 32.61 O ATOM 0 H GLU A 64 10.177 -7.832 2.059 1.00 10.04 H new ATOM 0 HA GLU A 64 8.682 -8.623 3.511 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.174 -9.209 5.163 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.618 -9.995 5.343 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.769 -10.686 2.847 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.404 -10.054 2.826 1.00 24.16 H new ATOM 1035 N SER A 65 8.771 -6.083 4.635 1.00 6.85 N ATOM 1036 CA SER A 65 8.113 -5.023 5.438 1.00 6.90 C ATOM 1037 C SER A 65 6.654 -5.421 5.667 1.00 4.72 C ATOM 1038 O SER A 65 6.103 -6.002 4.753 1.00 3.91 O ATOM 1039 CB SER A 65 8.174 -3.615 4.798 1.00 7.28 C ATOM 1040 OG SER A 65 9.550 -3.167 4.915 1.00 10.56 O ATOM 0 H SER A 65 8.899 -5.793 3.665 1.00 6.85 H new ATOM 0 HA SER A 65 8.662 -4.947 6.377 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.865 -3.650 3.753 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.498 -2.928 5.307 1.00 7.28 H new ATOM 0 HG SER A 65 10.047 -3.423 4.110 1.00 10.56 H new ATOM 1046 N THR A 66 6.046 -4.991 6.835 1.00 4.48 N ATOM 1047 CA THR A 66 4.572 -5.144 7.109 1.00 3.80 C ATOM 1048 C THR A 66 3.932 -3.816 7.025 1.00 4.60 C ATOM 1049 O THR A 66 4.039 -3.004 7.925 1.00 5.33 O ATOM 1050 CB THR A 66 4.236 -5.761 8.434 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.807 -7.132 8.524 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.718 -5.942 8.459 1.00 3.40 C ATOM 0 H THR A 66 6.557 -4.539 7.594 1.00 4.48 H new ATOM 0 HA THR A 66 4.196 -5.834 6.354 1.00 3.80 H new ATOM 0 HB THR A 66 4.620 -5.134 9.239 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.582 -7.523 9.394 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.421 -6.390 9.407 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.234 -4.972 8.348 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.416 -6.594 7.639 1.00 3.40 H new ATOM 1060 N LEU A 67 3.134 -3.572 5.975 1.00 4.17 N ATOM 1061 CA LEU A 67 2.526 -2.342 5.596 1.00 3.85 C ATOM 1062 C LEU A 67 1.046 -2.555 5.721 1.00 3.80 C ATOM 1063 O LEU A 67 0.485 -3.575 5.465 1.00 5.54 O ATOM 1064 CB LEU A 67 2.818 -2.079 4.053 1.00 7.18 C ATOM 1065 CG LEU A 67 4.299 -1.938 3.685 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.384 -1.449 2.281 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.114 -1.040 4.586 1.00 11.66 C ATOM 0 H LEU A 67 2.891 -4.319 5.325 1.00 4.17 H new ATOM 0 HA LEU A 67 2.895 -1.516 6.204 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.393 -2.899 3.474 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.297 -1.171 3.750 1.00 7.18 H new ATOM 0 HG LEU A 67 4.739 -2.927 3.812 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.431 -1.341 1.996 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.899 -2.164 1.617 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.884 -0.483 2.201 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.146 -1.012 4.235 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.698 -0.033 4.569 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.088 -1.426 5.605 1.00 11.66 H new ATOM 1079 N HIS A 68 0.279 -1.560 6.222 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.159 -1.719 6.523 1.00 4.17 C ATOM 1081 C HIS A 68 -2.068 -1.028 5.422 1.00 5.32 C ATOM 1082 O HIS A 68 -1.833 0.106 5.055 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.444 -1.267 7.900 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.482 -1.725 8.876 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.648 -0.974 9.183 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.407 -2.861 9.557 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.364 -1.686 10.141 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.722 -2.842 10.389 1.00 16.30 N ATOM 0 H HIS A 68 0.639 -0.628 6.428 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.417 -2.777 6.480 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.473 -0.177 7.916 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.435 -1.616 8.189 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.110 -3.678 9.482 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.283 -1.364 10.608 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.002 -3.564 11.053 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.079 -1.691 4.930 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.014 -1.250 3.888 1.00 3.97 C ATOM 1098 C LEU A 69 -5.399 -1.038 4.597 1.00 5.07 C ATOM 1099 O LEU A 69 -6.019 -1.973 5.081 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.225 -2.269 2.792 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.485 -2.133 1.792 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.296 -0.817 0.990 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.673 -3.448 1.029 1.00 9.96 C ATOM 0 H LEU A 69 -3.302 -2.629 5.262 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.604 -0.354 3.422 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.324 -2.276 2.178 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.294 -3.247 3.268 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.452 -2.015 2.282 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.130 -0.688 0.300 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.261 0.027 1.679 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.364 -0.865 0.427 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.523 -3.358 0.353 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.774 -3.666 0.453 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.856 -4.256 1.737 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.837 0.213 4.637 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.124 0.450 5.269 1.00 6.26 C ATOM 1117 C VAL A 70 -8.106 0.840 4.086 1.00 9.22 C ATOM 1118 O VAL A 70 -7.834 1.727 3.278 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.024 1.637 6.290 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.330 2.261 6.637 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.249 1.162 7.562 1.00 8.54 C ATOM 0 H VAL A 70 -5.356 1.032 4.265 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.468 -0.425 5.821 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.469 2.435 5.797 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.169 3.072 7.347 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.795 2.657 5.734 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.984 1.512 7.084 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.178 1.985 8.273 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.781 0.329 8.022 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.247 0.840 7.278 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.318 0.140 3.999 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.431 0.518 3.125 1.00 16.06 C ATOM 1133 C LEU A 71 -10.982 1.892 3.582 1.00 18.09 C ATOM 1134 O LEU A 71 -11.329 2.139 4.760 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.547 -0.598 3.130 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.887 -0.170 2.508 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.651 -0.290 0.937 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.108 -0.968 2.851 1.00 19.57 C ATOM 0 H LEU A 71 -9.509 -0.697 4.550 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.083 0.608 2.096 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.173 -1.469 2.591 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.723 -0.912 4.159 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.116 0.820 2.902 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.560 -0.002 0.409 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.835 0.369 0.640 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.396 -1.319 0.685 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.973 -0.547 2.339 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.967 -2.002 2.536 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.273 -0.936 3.928 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.143 2.825 2.665 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.693 4.120 2.949 1.00 25.83 C ATOM 1152 C ARG A 72 -12.966 4.286 2.086 1.00 27.74 C ATOM 1153 O ARG A 72 -13.091 3.672 0.983 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.663 5.247 2.714 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.032 6.696 3.070 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.871 7.675 2.872 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.278 8.971 3.561 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.491 10.051 3.731 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.346 10.233 3.089 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.964 10.971 4.560 1.00 35.02 N ATOM 0 H ARG A 72 -10.888 2.694 1.686 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.957 4.196 4.004 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.765 4.991 3.276 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.394 5.229 1.658 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.875 7.012 2.456 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.361 6.737 4.108 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.951 7.279 3.302 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.681 7.842 1.812 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.229 9.026 3.925 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.018 9.533 2.423 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.793 11.073 3.260 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.865 10.831 5.016 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.427 11.819 4.741 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.958 5.007 2.682 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.265 5.273 2.215 1.00 30.76 C ATOM 1176 C LEU A 73 -15.472 6.745 1.892 1.00 32.18 C ATOM 1177 O LEU A 73 -14.627 7.622 2.041 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.264 4.822 3.273 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.259 3.327 3.556 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.915 3.018 4.931 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.828 2.456 2.415 1.00 29.11 C ATOM 0 H LEU A 73 -13.801 5.441 3.592 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.417 4.721 1.287 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.055 5.354 4.201 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.265 5.115 2.956 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.210 3.037 3.609 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.898 1.943 5.109 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.360 3.525 5.721 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.947 3.370 4.929 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.785 1.406 2.703 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.863 2.738 2.224 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.237 2.609 1.512 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.595 7.113 1.246 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.790 8.474 0.840 1.00 35.33 C ATOM 1195 C ARG A 74 -17.302 9.390 1.940 1.00 36.22 C ATOM 1196 O ARG A 74 -17.395 10.593 1.833 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.966 8.525 -0.336 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.369 8.142 -1.706 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.250 8.606 -2.837 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.726 8.045 -4.112 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.661 8.515 -4.793 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.947 9.611 -4.452 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.409 8.049 -5.999 1.00 41.93 N ATOM 0 H ARG A 74 -17.358 6.480 1.007 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.807 8.816 0.515 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.776 7.841 -0.080 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.397 9.525 -0.386 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.378 8.584 -1.809 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.243 7.061 -1.761 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.277 8.279 -2.674 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.265 9.695 -2.882 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.213 7.238 -4.503 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.203 10.149 -3.624 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.153 9.900 -5.023 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.017 7.340 -6.409 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.606 8.397 -6.523 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.569 8.901 3.161 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.063 9.650 4.328 1.00 36.07 C ATOM 1219 C GLY A 75 -16.988 10.307 5.187 1.00 36.16 C ATOM 1220 O GLY A 75 -17.237 11.211 5.975 1.00 36.26 O ATOM 0 H GLY A 75 -17.438 7.912 3.373 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.748 10.423 3.979 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.641 8.972 4.955 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.716 9.947 5.088 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.635 10.348 6.001 1.00 36.19 C ATOM 1226 C GLY A 76 -13.267 10.123 5.361 1.00 36.20 C ATOM 1227 O GLY A 76 -12.888 9.076 4.843 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.499 11.116 5.324 1.00 0.00 O ATOM 0 H GLY A 76 -15.386 9.340 4.338 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.748 11.399 6.265 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.706 9.777 6.927 1.00 36.19 H new TER 1232 GLY A 76