USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 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 23 MET CE :methyl -161:sc= -0.0215 (180deg=-0.418) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 35:sc= 0.144 USER MOD Single : A 21 ASN : amide:sc= -0.61 K(o=-0.61,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.184 USER MOD Single : A 46 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-1.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -6.63! K(o=-6.6!,f=-4) USER MOD Single : A 57 SER OG : rot -28:sc= -0.439 USER MOD Single : A 59 ASN : amide:sc= -6.23! C(o=-6.2!,f=-7.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0781 K(o=-0.078,f=-1.5!) USER MOD Single : A 68 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-0.42) USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.276) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00499 K(o=-0.005,f=-0.54) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -115:sc= 0.0271 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.770 -2.676 -10.633 1.00 0.00 N ATOM 60 CA GLY A 7 -5.349 -1.571 -9.891 1.00 0.00 C ATOM 61 C GLY A 7 -4.308 -0.773 -9.132 1.00 0.00 C ATOM 62 O GLY A 7 -4.157 -0.929 -7.920 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.876 -0.911 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.089 -1.957 -9.190 1.00 0.00 H new ATOM 66 N VAL A 8 -3.585 0.084 -9.846 1.00 0.00 N ATOM 67 CA VAL A 8 -2.551 0.909 -9.232 1.00 0.00 C ATOM 68 C VAL A 8 -3.161 2.094 -8.492 1.00 0.00 C ATOM 69 O VAL A 8 -3.905 2.885 -9.071 1.00 0.00 O ATOM 70 CB VAL A 8 -1.554 1.432 -10.283 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.292 2.054 -11.458 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.596 2.433 -9.655 1.00 0.00 C ATOM 0 H VAL A 8 -3.696 0.225 -10.850 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.020 0.275 -8.522 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.972 0.590 -10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.570 2.418 -12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.934 1.305 -11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.902 2.886 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.102 2.793 -10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.161 3.274 -9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.042 1.950 -8.850 1.00 0.00 H new ATOM 82 N VAL A 9 -2.841 2.211 -7.207 1.00 0.00 N ATOM 83 CA VAL A 9 -3.356 3.301 -6.387 1.00 0.00 C ATOM 84 C VAL A 9 -2.321 4.410 -6.234 1.00 0.00 C ATOM 85 O VAL A 9 -1.377 4.288 -5.455 1.00 0.00 O ATOM 86 CB VAL A 9 -3.770 2.804 -4.989 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.264 3.962 -4.135 1.00 0.00 C ATOM 88 CG2 VAL A 9 -4.834 1.722 -5.102 1.00 0.00 C ATOM 0 H VAL A 9 -2.227 1.564 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.234 3.695 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.896 2.372 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.552 3.592 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.469 4.699 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.126 4.426 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.115 1.382 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.711 2.125 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.439 0.882 -5.674 1.00 0.00 H new ATOM 98 N GLU A 10 -2.507 5.492 -6.984 1.00 0.00 N ATOM 99 CA GLU A 10 -1.588 6.624 -6.931 1.00 0.00 C ATOM 100 C GLU A 10 -2.109 7.704 -5.987 1.00 0.00 C ATOM 101 O GLU A 10 -3.064 8.415 -6.305 1.00 0.00 O ATOM 102 CB GLU A 10 -1.384 7.209 -8.330 1.00 0.00 C ATOM 103 CG GLU A 10 -0.041 7.896 -8.512 1.00 0.00 C ATOM 104 CD GLU A 10 -0.096 9.025 -9.523 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.956 9.917 -9.368 1.00 0.00 O ATOM 106 OE2 GLU A 10 0.720 9.017 -10.468 1.00 0.00 O ATOM 0 H GLU A 10 -3.284 5.609 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.631 6.265 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.477 6.410 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.180 7.925 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.295 8.289 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.698 7.162 -8.833 1.00 0.00 H new ATOM 113 N LEU A 11 -1.476 7.821 -4.825 1.00 0.00 N ATOM 114 CA LEU A 11 -1.875 8.814 -3.834 1.00 0.00 C ATOM 115 C LEU A 11 -0.885 9.974 -3.796 1.00 0.00 C ATOM 116 O LEU A 11 0.312 9.809 -4.033 1.00 0.00 O ATOM 117 CB LEU A 11 -1.976 8.170 -2.450 1.00 0.00 C ATOM 118 CG LEU A 11 -2.923 6.974 -2.334 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.474 6.045 -1.218 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.350 7.445 -2.097 1.00 0.00 C ATOM 0 H LEU A 11 -0.685 7.241 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.852 9.203 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.979 7.850 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.296 8.932 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.896 6.421 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.159 5.200 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.469 5.681 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.471 6.587 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.010 6.581 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.394 8.022 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.670 8.070 -2.931 1.00 0.00 H new ATOM 132 N PRO A 12 -1.393 11.176 -3.488 1.00 0.00 N ATOM 133 CA PRO A 12 -0.570 12.387 -3.409 1.00 0.00 C ATOM 134 C PRO A 12 0.372 12.370 -2.210 1.00 0.00 C ATOM 135 O PRO A 12 -0.068 12.330 -1.061 1.00 0.00 O ATOM 136 CB PRO A 12 -1.602 13.508 -3.261 1.00 0.00 C ATOM 137 CG PRO A 12 -2.792 12.850 -2.653 1.00 0.00 C ATOM 138 CD PRO A 12 -2.810 11.447 -3.193 1.00 0.00 C ATOM 0 HA PRO A 12 0.078 12.497 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.226 14.311 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.845 13.952 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.724 12.849 -1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.708 13.381 -2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.211 10.742 -2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.429 11.369 -4.087 1.00 0.00 H new ATOM 146 N LYS A 13 1.672 12.400 -2.485 1.00 0.00 N ATOM 147 CA LYS A 13 2.678 12.390 -1.430 1.00 0.00 C ATOM 148 C LYS A 13 2.660 13.700 -0.648 1.00 0.00 C ATOM 149 O LYS A 13 3.054 14.747 -1.161 1.00 0.00 O ATOM 150 CB LYS A 13 4.069 12.158 -2.025 1.00 0.00 C ATOM 151 CG LYS A 13 5.156 11.982 -0.979 1.00 0.00 C ATOM 152 CD LYS A 13 5.146 10.579 -0.395 1.00 0.00 C ATOM 153 CE LYS A 13 5.654 10.568 1.038 1.00 0.00 C ATOM 154 NZ LYS A 13 7.123 10.802 1.107 1.00 0.00 N ATOM 0 H LYS A 13 2.053 12.431 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 13 2.442 11.575 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.040 11.272 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.326 13.001 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.129 12.184 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.015 12.710 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.133 10.178 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.767 9.925 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.136 11.336 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.417 9.610 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.431 10.787 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.619 10.055 0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.347 11.728 0.689 1.00 0.00 H new ATOM 168 N THR A 14 2.201 13.634 0.598 1.00 0.00 N ATOM 169 CA THR A 14 2.131 14.813 1.451 1.00 0.00 C ATOM 170 C THR A 14 2.434 14.461 2.903 1.00 0.00 C ATOM 171 O THR A 14 1.863 13.521 3.455 1.00 0.00 O ATOM 172 CB THR A 14 0.745 15.481 1.375 1.00 0.00 C ATOM 173 OG1 THR A 14 -0.264 14.564 1.810 1.00 0.00 O ATOM 174 CG2 THR A 14 0.443 15.940 -0.043 1.00 0.00 C ATOM 0 H THR A 14 1.872 12.775 1.039 1.00 0.00 H new ATOM 0 HA THR A 14 2.883 15.512 1.085 1.00 0.00 H new ATOM 0 HB THR A 14 0.749 16.353 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.093 14.001 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.541 16.409 -0.072 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.197 16.660 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.456 15.081 -0.714 1.00 0.00 H new ATOM 182 N ASP A 15 3.336 15.221 3.515 1.00 0.00 N ATOM 183 CA ASP A 15 3.713 14.990 4.905 1.00 0.00 C ATOM 184 C ASP A 15 2.517 14.508 5.720 1.00 0.00 C ATOM 185 O ASP A 15 2.640 13.599 6.540 1.00 0.00 O ATOM 186 CB ASP A 15 4.284 16.269 5.520 1.00 0.00 C ATOM 187 CG ASP A 15 4.872 16.036 6.898 1.00 0.00 C ATOM 188 OD1 ASP A 15 4.420 15.096 7.585 1.00 0.00 O ATOM 189 OD2 ASP A 15 5.784 16.793 7.289 1.00 0.00 O ATOM 0 H ASP A 15 3.819 16.002 3.071 1.00 0.00 H new ATOM 0 HA ASP A 15 4.478 14.214 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.054 16.672 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.497 17.020 5.586 1.00 0.00 H new ATOM 194 N GLU A 16 1.363 15.125 5.488 1.00 0.00 N ATOM 195 CA GLU A 16 0.145 14.759 6.203 1.00 0.00 C ATOM 196 C GLU A 16 0.085 13.253 6.440 1.00 0.00 C ATOM 197 O GLU A 16 -0.189 12.799 7.550 1.00 0.00 O ATOM 198 CB GLU A 16 -1.088 15.213 5.420 1.00 0.00 C ATOM 199 CG GLU A 16 -1.525 16.632 5.742 1.00 0.00 C ATOM 200 CD GLU A 16 -1.544 16.913 7.232 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.069 16.070 7.989 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.034 17.977 7.641 1.00 0.00 O ATOM 0 H GLU A 16 1.245 15.879 4.812 1.00 0.00 H new ATOM 0 HA GLU A 16 0.157 15.261 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.878 15.140 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.912 14.531 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.852 17.335 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.520 16.804 5.331 1.00 0.00 H new ATOM 209 N GLY A 17 0.343 12.483 5.387 1.00 0.00 N ATOM 210 CA GLY A 17 0.313 11.037 5.501 1.00 0.00 C ATOM 211 C GLY A 17 -0.602 10.394 4.478 1.00 0.00 C ATOM 212 O GLY A 17 -1.270 11.087 3.709 1.00 0.00 O ATOM 0 H GLY A 17 0.572 12.835 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.323 10.645 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.016 10.761 6.503 1.00 0.00 H new ATOM 216 N LEU A 18 -0.634 9.066 4.465 1.00 0.00 N ATOM 217 CA LEU A 18 -1.473 8.329 3.527 1.00 0.00 C ATOM 218 C LEU A 18 -2.735 7.816 4.213 1.00 0.00 C ATOM 219 O LEU A 18 -3.816 7.812 3.624 1.00 0.00 O ATOM 220 CB LEU A 18 -0.693 7.158 2.927 1.00 0.00 C ATOM 221 CG LEU A 18 0.458 7.527 1.991 1.00 0.00 C ATOM 222 CD1 LEU A 18 -0.062 8.279 0.775 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.499 8.358 2.728 1.00 0.00 C ATOM 0 H LEU A 18 -0.088 8.477 5.094 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.767 9.009 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.292 6.558 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.391 6.525 2.379 1.00 0.00 H new ATOM 0 HG LEU A 18 0.931 6.607 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.772 8.533 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.770 7.651 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.561 9.193 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.311 8.612 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.038 9.273 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.895 7.785 3.567 1.00 0.00 H new ATOM 235 N GLY A 19 -2.591 7.386 5.463 1.00 0.00 N ATOM 236 CA GLY A 19 -3.728 6.879 6.209 1.00 0.00 C ATOM 237 C GLY A 19 -3.887 5.377 6.073 1.00 0.00 C ATOM 238 O GLY A 19 -5.006 4.868 6.010 1.00 0.00 O ATOM 0 H GLY A 19 -1.707 7.380 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.611 7.135 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.636 7.371 5.860 1.00 0.00 H new ATOM 242 N PHE A 20 -2.765 4.666 6.027 1.00 0.00 N ATOM 243 CA PHE A 20 -2.785 3.214 5.896 1.00 0.00 C ATOM 244 C PHE A 20 -1.610 2.585 6.638 1.00 0.00 C ATOM 245 O PHE A 20 -0.499 3.113 6.624 1.00 0.00 O ATOM 246 CB PHE A 20 -2.744 2.814 4.419 1.00 0.00 C ATOM 247 CG PHE A 20 -1.364 2.852 3.826 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.424 1.893 4.166 1.00 0.00 C ATOM 249 CD2 PHE A 20 -1.009 3.846 2.929 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.847 1.927 3.622 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.260 3.884 2.382 1.00 0.00 C ATOM 252 CZ PHE A 20 1.188 2.922 2.728 1.00 0.00 C ATOM 0 H PHE A 20 -1.831 5.072 6.079 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.710 2.846 6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.149 1.808 4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.393 3.481 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.686 1.111 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.732 4.600 2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.572 1.175 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.525 4.665 1.685 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.179 2.948 2.300 1.00 0.00 H new ATOM 262 N ASN A 21 -1.865 1.453 7.286 1.00 0.00 N ATOM 263 CA ASN A 21 -0.829 0.751 8.035 1.00 0.00 C ATOM 264 C ASN A 21 -0.524 -0.604 7.403 1.00 0.00 C ATOM 265 O ASN A 21 -1.408 -1.251 6.841 1.00 0.00 O ATOM 266 CB ASN A 21 -1.263 0.562 9.490 1.00 0.00 C ATOM 267 CG ASN A 21 -1.456 1.881 10.212 1.00 0.00 C ATOM 268 OD1 ASN A 21 -0.489 2.564 10.551 1.00 0.00 O ATOM 269 ND2 ASN A 21 -2.711 2.247 10.451 1.00 0.00 N ATOM 0 H ASN A 21 -2.780 1.002 7.308 1.00 0.00 H new ATOM 0 HA ASN A 21 0.077 1.356 8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.194 -0.004 9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.514 -0.030 10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.903 3.125 10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.482 1.650 10.152 1.00 0.00 H new ATOM 276 N ILE A 22 0.731 -1.027 7.501 1.00 0.00 N ATOM 277 CA ILE A 22 1.152 -2.305 6.941 1.00 0.00 C ATOM 278 C ILE A 22 1.984 -3.098 7.944 1.00 0.00 C ATOM 279 O ILE A 22 2.826 -2.538 8.646 1.00 0.00 O ATOM 280 CB ILE A 22 1.970 -2.113 5.651 1.00 0.00 C ATOM 281 CG1 ILE A 22 3.130 -1.145 5.896 1.00 0.00 C ATOM 282 CG2 ILE A 22 1.078 -1.605 4.528 1.00 0.00 C ATOM 283 CD1 ILE A 22 4.020 -0.949 4.688 1.00 0.00 C ATOM 0 H ILE A 22 1.474 -0.503 7.963 1.00 0.00 H new ATOM 0 HA ILE A 22 0.244 -2.860 6.706 1.00 0.00 H new ATOM 0 HB ILE A 22 2.382 -3.077 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.728 -0.179 6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.733 -1.516 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.671 -1.474 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.283 -2.327 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.640 -0.649 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.820 -0.251 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.451 -1.906 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.431 -0.549 3.863 1.00 0.00 H new ATOM 295 N MET A 23 1.743 -4.403 8.004 1.00 0.00 N ATOM 296 CA MET A 23 2.473 -5.273 8.919 1.00 0.00 C ATOM 297 C MET A 23 3.091 -6.451 8.172 1.00 0.00 C ATOM 298 O MET A 23 2.609 -6.849 7.112 1.00 0.00 O ATOM 299 CB MET A 23 1.543 -5.784 10.021 1.00 0.00 C ATOM 300 CG MET A 23 0.521 -6.797 9.532 1.00 0.00 C ATOM 301 SD MET A 23 0.054 -7.984 10.807 1.00 0.00 S ATOM 302 CE MET A 23 -1.730 -7.833 10.774 1.00 0.00 C ATOM 0 H MET A 23 1.048 -4.881 7.430 1.00 0.00 H new ATOM 0 HA MET A 23 3.276 -4.691 9.372 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.143 -6.237 10.810 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.020 -4.937 10.465 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.369 -6.271 9.187 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.928 -7.332 8.674 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.146 -8.228 11.701 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.004 -6.783 10.671 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.127 -8.396 9.930 1.00 0.00 H new ATOM 312 N GLY A 24 4.162 -7.005 8.732 1.00 0.00 N ATOM 313 CA GLY A 24 4.828 -8.132 8.105 1.00 0.00 C ATOM 314 C GLY A 24 6.100 -7.726 7.387 1.00 0.00 C ATOM 315 O GLY A 24 6.832 -6.852 7.851 1.00 0.00 O ATOM 0 H GLY A 24 4.580 -6.694 9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.065 -8.878 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.148 -8.603 7.395 1.00 0.00 H new ATOM 394 N SER A 30 4.520 -14.233 5.683 1.00 0.00 N ATOM 395 CA SER A 30 3.207 -13.765 5.257 1.00 0.00 C ATOM 396 C SER A 30 3.335 -12.605 4.274 1.00 0.00 C ATOM 397 O SER A 30 4.274 -11.810 4.332 1.00 0.00 O ATOM 398 CB SER A 30 2.378 -13.333 6.468 1.00 0.00 C ATOM 399 OG SER A 30 1.741 -14.444 7.073 1.00 0.00 O ATOM 0 HA SER A 30 2.701 -14.589 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.022 -12.839 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.629 -12.605 6.158 1.00 0.00 H new ATOM 0 HG SER A 30 1.219 -14.141 7.845 1.00 0.00 H new ATOM 405 N PRO A 31 2.370 -12.505 3.349 1.00 0.00 N ATOM 406 CA PRO A 31 2.352 -11.446 2.335 1.00 0.00 C ATOM 407 C PRO A 31 2.055 -10.076 2.934 1.00 0.00 C ATOM 408 O PRO A 31 1.333 -9.964 3.925 1.00 0.00 O ATOM 409 CB PRO A 31 1.222 -11.874 1.395 1.00 0.00 C ATOM 410 CG PRO A 31 0.326 -12.715 2.237 1.00 0.00 C ATOM 411 CD PRO A 31 1.221 -13.418 3.221 1.00 0.00 C ATOM 0 HA PRO A 31 3.318 -11.338 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.692 -11.010 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.607 -12.435 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.414 -12.102 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.223 -13.433 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.723 -13.573 4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.526 -14.399 2.857 1.00 0.00 H new ATOM 419 N ILE A 32 2.617 -9.036 2.327 1.00 0.00 N ATOM 420 CA ILE A 32 2.410 -7.673 2.801 1.00 0.00 C ATOM 421 C ILE A 32 1.027 -7.160 2.414 1.00 0.00 C ATOM 422 O ILE A 32 0.619 -7.257 1.256 1.00 0.00 O ATOM 423 CB ILE A 32 3.477 -6.714 2.239 1.00 0.00 C ATOM 424 CG1 ILE A 32 4.873 -7.153 2.684 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.196 -5.288 2.687 1.00 0.00 C ATOM 426 CD1 ILE A 32 5.991 -6.428 1.968 1.00 0.00 C ATOM 0 H ILE A 32 3.219 -9.111 1.507 1.00 0.00 H new ATOM 0 HA ILE A 32 2.493 -7.700 3.887 1.00 0.00 H new ATOM 0 HB ILE A 32 3.436 -6.746 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.972 -6.988 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.979 -8.225 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.958 -4.622 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.215 -4.979 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.213 -5.239 3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.952 -6.790 2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.917 -6.613 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.910 -5.358 2.157 1.00 0.00 H new ATOM 438 N TYR A 33 0.311 -6.612 3.390 1.00 0.00 N ATOM 439 CA TYR A 33 -1.027 -6.084 3.152 1.00 0.00 C ATOM 440 C TYR A 33 -1.355 -4.967 4.138 1.00 0.00 C ATOM 441 O TYR A 33 -0.564 -4.660 5.030 1.00 0.00 O ATOM 442 CB TYR A 33 -2.066 -7.200 3.264 1.00 0.00 C ATOM 443 CG TYR A 33 -1.923 -8.038 4.515 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.236 -7.516 5.764 1.00 0.00 C ATOM 445 CD2 TYR A 33 -1.474 -9.351 4.448 1.00 0.00 C ATOM 446 CE1 TYR A 33 -2.106 -8.277 6.910 1.00 0.00 C ATOM 447 CE2 TYR A 33 -1.342 -10.120 5.588 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.659 -9.578 6.816 1.00 0.00 C ATOM 449 OH TYR A 33 -1.529 -10.340 7.955 1.00 0.00 O ATOM 0 H TYR A 33 0.635 -6.522 4.353 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.053 -5.673 2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.063 -6.760 3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.986 -7.848 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.587 -6.498 5.840 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.224 -9.778 3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.353 -7.855 7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.993 -11.140 5.518 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.204 -11.233 7.716 1.00 0.00 H new ATOM 459 N ILE A 34 -2.527 -4.364 3.971 1.00 0.00 N ATOM 460 CA ILE A 34 -2.961 -3.283 4.846 1.00 0.00 C ATOM 461 C ILE A 34 -3.513 -3.827 6.159 1.00 0.00 C ATOM 462 O ILE A 34 -4.560 -4.474 6.184 1.00 0.00 O ATOM 463 CB ILE A 34 -4.037 -2.410 4.173 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.530 -1.887 2.827 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.429 -1.256 5.083 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.389 -0.902 2.953 1.00 0.00 C ATOM 0 H ILE A 34 -3.193 -4.606 3.237 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.083 -2.670 5.049 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.922 -3.021 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.206 -2.730 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.355 -1.410 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.190 -0.649 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.826 -1.649 6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.553 -0.642 5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.081 -0.573 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.715 -0.040 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.548 -1.382 3.454 1.00 0.00 H new ATOM 478 N SER A 35 -2.803 -3.559 7.250 1.00 0.00 N ATOM 479 CA SER A 35 -3.221 -4.024 8.568 1.00 0.00 C ATOM 480 C SER A 35 -4.425 -3.231 9.067 1.00 0.00 C ATOM 481 O SER A 35 -5.425 -3.806 9.499 1.00 0.00 O ATOM 482 CB SER A 35 -2.067 -3.900 9.565 1.00 0.00 C ATOM 483 OG SER A 35 -1.725 -2.543 9.785 1.00 0.00 O ATOM 0 H SER A 35 -1.936 -3.022 7.248 1.00 0.00 H new ATOM 0 HA SER A 35 -3.508 -5.072 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.348 -4.365 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.198 -4.441 9.189 1.00 0.00 H new ATOM 0 HG SER A 35 -0.986 -2.492 10.427 1.00 0.00 H new ATOM 489 N ARG A 36 -4.323 -1.908 9.003 1.00 0.00 N ATOM 490 CA ARG A 36 -5.402 -1.035 9.449 1.00 0.00 C ATOM 491 C ARG A 36 -5.511 0.196 8.554 1.00 0.00 C ATOM 492 O ARG A 36 -4.511 0.684 8.028 1.00 0.00 O ATOM 493 CB ARG A 36 -5.174 -0.606 10.899 1.00 0.00 C ATOM 494 CG ARG A 36 -6.452 -0.237 11.634 1.00 0.00 C ATOM 495 CD ARG A 36 -6.765 1.245 11.498 1.00 0.00 C ATOM 496 NE ARG A 36 -8.135 1.554 11.900 1.00 0.00 N ATOM 497 CZ ARG A 36 -8.545 1.566 13.163 1.00 0.00 C ATOM 498 NH1 ARG A 36 -7.695 1.286 14.142 1.00 0.00 N ATOM 499 NH2 ARG A 36 -9.807 1.857 13.449 1.00 0.00 N ATOM 0 H ARG A 36 -3.503 -1.417 8.646 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.336 -1.593 9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.678 -1.415 11.435 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.497 0.248 10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.282 -0.823 11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.354 -0.494 12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.069 1.820 12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.612 1.555 10.464 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.814 1.772 11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.724 1.061 13.926 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.012 1.296 15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.464 2.072 12.699 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.121 1.866 14.419 1.00 0.00 H new ATOM 513 N VAL A 37 -6.732 0.693 8.386 1.00 0.00 N ATOM 514 CA VAL A 37 -6.972 1.867 7.555 1.00 0.00 C ATOM 515 C VAL A 37 -7.660 2.971 8.350 1.00 0.00 C ATOM 516 O VAL A 37 -8.546 2.705 9.163 1.00 0.00 O ATOM 517 CB VAL A 37 -7.835 1.520 6.328 1.00 0.00 C ATOM 518 CG1 VAL A 37 -8.063 2.754 5.468 1.00 0.00 C ATOM 519 CG2 VAL A 37 -7.186 0.408 5.518 1.00 0.00 C ATOM 0 H VAL A 37 -7.571 0.301 8.814 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.998 2.219 7.216 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.805 1.166 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.675 2.489 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.574 3.517 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.103 3.142 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.809 0.175 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.202 0.732 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.081 -0.481 6.140 1.00 0.00 H new ATOM 529 N ILE A 38 -7.246 4.211 8.111 1.00 0.00 N ATOM 530 CA ILE A 38 -7.824 5.356 8.803 1.00 0.00 C ATOM 531 C ILE A 38 -9.175 5.735 8.207 1.00 0.00 C ATOM 532 O ILE A 38 -9.307 5.974 7.007 1.00 0.00 O ATOM 533 CB ILE A 38 -6.889 6.579 8.746 1.00 0.00 C ATOM 534 CG1 ILE A 38 -5.435 6.146 8.942 1.00 0.00 C ATOM 535 CG2 ILE A 38 -7.290 7.601 9.799 1.00 0.00 C ATOM 536 CD1 ILE A 38 -5.177 5.481 10.276 1.00 0.00 C ATOM 0 H ILE A 38 -6.512 4.448 7.443 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.959 5.060 9.843 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.981 7.043 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.158 5.458 8.143 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.789 7.019 8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.620 8.459 9.747 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.314 7.928 9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.224 7.149 10.789 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.126 5.201 10.346 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.422 6.174 11.081 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.797 4.589 10.364 1.00 0.00 H new ATOM 548 N PRO A 39 -10.205 5.792 9.065 1.00 0.00 N ATOM 549 CA PRO A 39 -11.565 6.144 8.646 1.00 0.00 C ATOM 550 C PRO A 39 -11.688 7.611 8.247 1.00 0.00 C ATOM 551 O PRO A 39 -12.777 8.091 7.937 1.00 0.00 O ATOM 552 CB PRO A 39 -12.405 5.857 9.893 1.00 0.00 C ATOM 553 CG PRO A 39 -11.452 5.986 11.030 1.00 0.00 C ATOM 554 CD PRO A 39 -10.121 5.519 10.509 1.00 0.00 C ATOM 0 HA PRO A 39 -11.878 5.583 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.230 6.564 9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.843 4.859 9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.395 7.018 11.377 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.773 5.382 11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.296 6.060 10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.960 4.460 10.709 1.00 0.00 H new ATOM 562 N GLY A 40 -10.562 8.318 8.256 1.00 0.00 N ATOM 563 CA GLY A 40 -10.565 9.723 7.893 1.00 0.00 C ATOM 564 C GLY A 40 -9.228 10.185 7.349 1.00 0.00 C ATOM 565 O GLY A 40 -8.807 11.315 7.593 1.00 0.00 O ATOM 0 H GLY A 40 -9.648 7.943 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.338 9.900 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.824 10.320 8.767 1.00 0.00 H new ATOM 569 N GLY A 41 -8.557 9.307 6.609 1.00 0.00 N ATOM 570 CA GLY A 41 -7.266 9.649 6.042 1.00 0.00 C ATOM 571 C GLY A 41 -7.310 9.769 4.531 1.00 0.00 C ATOM 572 O GLY A 41 -8.341 9.510 3.910 1.00 0.00 O ATOM 0 H GLY A 41 -8.885 8.366 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.924 10.592 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.537 8.889 6.322 1.00 0.00 H new ATOM 576 N VAL A 42 -6.188 10.165 3.938 1.00 0.00 N ATOM 577 CA VAL A 42 -6.102 10.319 2.491 1.00 0.00 C ATOM 578 C VAL A 42 -6.640 9.086 1.773 1.00 0.00 C ATOM 579 O VAL A 42 -7.502 9.189 0.901 1.00 0.00 O ATOM 580 CB VAL A 42 -4.652 10.571 2.038 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.579 10.696 0.524 1.00 0.00 C ATOM 582 CG2 VAL A 42 -4.093 11.816 2.711 1.00 0.00 C ATOM 0 H VAL A 42 -5.326 10.385 4.438 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.712 11.183 2.229 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.043 9.718 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.547 10.874 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.937 9.774 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.201 11.529 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.068 11.979 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.703 12.679 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.108 11.683 3.793 1.00 0.00 H new ATOM 592 N ALA A 43 -6.124 7.920 2.147 1.00 0.00 N ATOM 593 CA ALA A 43 -6.554 6.665 1.541 1.00 0.00 C ATOM 594 C ALA A 43 -8.073 6.531 1.575 1.00 0.00 C ATOM 595 O ALA A 43 -8.724 6.466 0.532 1.00 0.00 O ATOM 596 CB ALA A 43 -5.903 5.487 2.249 1.00 0.00 C ATOM 0 H ALA A 43 -5.408 7.818 2.866 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.239 6.667 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.233 4.557 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.819 5.568 2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.190 5.491 3.301 1.00 0.00 H new ATOM 602 N ASP A 44 -8.632 6.491 2.780 1.00 0.00 N ATOM 603 CA ASP A 44 -10.075 6.365 2.950 1.00 0.00 C ATOM 604 C ASP A 44 -10.816 7.338 2.038 1.00 0.00 C ATOM 605 O ASP A 44 -11.798 6.972 1.392 1.00 0.00 O ATOM 606 CB ASP A 44 -10.462 6.618 4.408 1.00 0.00 C ATOM 607 CG ASP A 44 -11.949 6.857 4.579 1.00 0.00 C ATOM 608 OD1 ASP A 44 -12.705 5.865 4.646 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.357 8.035 4.644 1.00 0.00 O ATOM 0 H ASP A 44 -8.108 6.544 3.653 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.361 5.349 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.162 5.763 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.913 7.482 4.782 1.00 0.00 H new ATOM 614 N ARG A 45 -10.339 8.577 1.991 1.00 0.00 N ATOM 615 CA ARG A 45 -10.958 9.603 1.160 1.00 0.00 C ATOM 616 C ARG A 45 -10.847 9.245 -0.319 1.00 0.00 C ATOM 617 O ARG A 45 -11.811 9.374 -1.074 1.00 0.00 O ATOM 618 CB ARG A 45 -10.304 10.962 1.418 1.00 0.00 C ATOM 619 CG ARG A 45 -10.383 11.411 2.867 1.00 0.00 C ATOM 620 CD ARG A 45 -9.324 12.455 3.185 1.00 0.00 C ATOM 621 NE ARG A 45 -9.593 13.727 2.520 1.00 0.00 N ATOM 622 CZ ARG A 45 -10.405 14.657 3.011 1.00 0.00 C ATOM 623 NH1 ARG A 45 -11.023 14.458 4.167 1.00 0.00 N ATOM 624 NH2 ARG A 45 -10.599 15.789 2.347 1.00 0.00 N ATOM 0 H ARG A 45 -9.526 8.895 2.518 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.014 9.660 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.257 10.915 1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.783 11.711 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.372 11.822 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.256 10.550 3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.281 12.611 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.346 12.085 2.877 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.132 13.912 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.875 13.590 4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.646 15.173 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.124 15.947 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.223 16.502 2.725 1.00 0.00 H new ATOM 638 N HIS A 46 -9.665 8.794 -0.726 1.00 0.00 N ATOM 639 CA HIS A 46 -9.427 8.417 -2.115 1.00 0.00 C ATOM 640 C HIS A 46 -10.343 7.270 -2.531 1.00 0.00 C ATOM 641 O HIS A 46 -11.088 7.378 -3.504 1.00 0.00 O ATOM 642 CB HIS A 46 -7.965 8.016 -2.314 1.00 0.00 C ATOM 643 CG HIS A 46 -7.630 7.658 -3.729 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.107 6.523 -4.351 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.861 8.292 -4.644 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.644 6.474 -5.588 1.00 0.00 C ATOM 647 NE2 HIS A 46 -6.886 7.537 -5.791 1.00 0.00 N ATOM 0 H HIS A 46 -8.857 8.681 -0.114 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.647 9.280 -2.743 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.325 8.838 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.739 7.167 -1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.327 9.219 -4.499 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.850 5.697 -6.310 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.399 7.761 -6.659 1.00 0.00 H new ATOM 655 N GLY A 47 -10.281 6.170 -1.786 1.00 0.00 N ATOM 656 CA GLY A 47 -11.109 5.018 -2.094 1.00 0.00 C ATOM 657 C GLY A 47 -10.404 4.021 -2.992 1.00 0.00 C ATOM 658 O GLY A 47 -10.604 4.019 -4.205 1.00 0.00 O ATOM 0 H GLY A 47 -9.673 6.056 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.400 4.525 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.027 5.353 -2.578 1.00 0.00 H new ATOM 662 N GLY A 48 -9.575 3.171 -2.393 1.00 0.00 N ATOM 663 CA GLY A 48 -8.849 2.177 -3.162 1.00 0.00 C ATOM 664 C GLY A 48 -8.125 1.178 -2.282 1.00 0.00 C ATOM 665 O GLY A 48 -8.073 -0.013 -2.594 1.00 0.00 O ATOM 0 H GLY A 48 -9.393 3.153 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.544 1.646 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.127 2.678 -3.808 1.00 0.00 H new ATOM 669 N LEU A 49 -7.563 1.662 -1.180 1.00 0.00 N ATOM 670 CA LEU A 49 -6.836 0.802 -0.252 1.00 0.00 C ATOM 671 C LEU A 49 -7.706 0.435 0.946 1.00 0.00 C ATOM 672 O LEU A 49 -8.289 1.305 1.594 1.00 0.00 O ATOM 673 CB LEU A 49 -5.560 1.498 0.225 1.00 0.00 C ATOM 674 CG LEU A 49 -4.575 1.917 -0.867 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.515 2.848 -0.301 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.929 0.693 -1.500 1.00 0.00 C ATOM 0 H LEU A 49 -7.596 2.644 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.569 -0.115 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.844 2.386 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.043 0.832 0.916 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.125 2.454 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.823 3.136 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.993 3.740 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.968 2.337 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.231 1.010 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.393 0.129 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.700 0.062 -1.942 1.00 0.00 H new ATOM 688 N LYS A 50 -7.788 -0.859 1.236 1.00 0.00 N ATOM 689 CA LYS A 50 -8.584 -1.342 2.358 1.00 0.00 C ATOM 690 C LYS A 50 -7.872 -2.482 3.079 1.00 0.00 C ATOM 691 O LYS A 50 -7.025 -3.163 2.500 1.00 0.00 O ATOM 692 CB LYS A 50 -9.957 -1.812 1.871 1.00 0.00 C ATOM 693 CG LYS A 50 -10.883 -0.675 1.473 1.00 0.00 C ATOM 694 CD LYS A 50 -11.999 -1.158 0.562 1.00 0.00 C ATOM 695 CE LYS A 50 -12.811 0.004 0.010 1.00 0.00 C ATOM 696 NZ LYS A 50 -13.678 0.618 1.053 1.00 0.00 N ATOM 0 H LYS A 50 -7.313 -1.592 0.709 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.716 -0.518 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.823 -2.476 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.432 -2.397 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.312 -0.224 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.310 0.102 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.575 -1.731 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.655 -1.832 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.137 0.760 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.429 -0.345 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.215 1.406 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.339 -0.096 1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.086 0.974 1.831 1.00 0.00 H new ATOM 710 N ARG A 51 -8.222 -2.686 4.345 1.00 0.00 N ATOM 711 CA ARG A 51 -7.615 -3.743 5.145 1.00 0.00 C ATOM 712 C ARG A 51 -7.707 -5.087 4.428 1.00 0.00 C ATOM 713 O ARG A 51 -8.797 -5.620 4.224 1.00 0.00 O ATOM 714 CB ARG A 51 -8.298 -3.834 6.511 1.00 0.00 C ATOM 715 CG ARG A 51 -7.903 -5.066 7.309 1.00 0.00 C ATOM 716 CD ARG A 51 -8.625 -5.119 8.646 1.00 0.00 C ATOM 717 NE ARG A 51 -10.047 -5.412 8.489 1.00 0.00 N ATOM 718 CZ ARG A 51 -10.969 -4.482 8.267 1.00 0.00 C ATOM 719 NH1 ARG A 51 -10.619 -3.206 8.175 1.00 0.00 N ATOM 720 NH2 ARG A 51 -12.243 -4.827 8.135 1.00 0.00 N ATOM 0 H ARG A 51 -8.923 -2.133 4.839 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.563 -3.498 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.054 -2.943 7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.379 -3.835 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.134 -5.963 6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.826 -5.063 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.165 -5.880 9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.506 -4.165 9.160 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.349 -6.384 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.640 -2.937 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.329 -2.494 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.516 -5.807 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.950 -4.112 7.965 1.00 0.00 H new ATOM 734 N GLY A 52 -6.554 -5.629 4.047 1.00 0.00 N ATOM 735 CA GLY A 52 -6.527 -6.905 3.357 1.00 0.00 C ATOM 736 C GLY A 52 -5.788 -6.834 2.035 1.00 0.00 C ATOM 737 O GLY A 52 -5.111 -7.784 1.643 1.00 0.00 O ATOM 0 H GLY A 52 -5.639 -5.207 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.052 -7.650 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.549 -7.241 3.181 1.00 0.00 H new ATOM 741 N ASP A 53 -5.919 -5.705 1.347 1.00 0.00 N ATOM 742 CA ASP A 53 -5.259 -5.513 0.061 1.00 0.00 C ATOM 743 C ASP A 53 -3.768 -5.821 0.164 1.00 0.00 C ATOM 744 O ASP A 53 -3.045 -5.182 0.928 1.00 0.00 O ATOM 745 CB ASP A 53 -5.463 -4.080 -0.432 1.00 0.00 C ATOM 746 CG ASP A 53 -6.928 -3.736 -0.621 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.772 -4.340 0.072 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.229 -2.864 -1.464 1.00 0.00 O ATOM 0 H ASP A 53 -6.476 -4.909 1.658 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.706 -6.203 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.019 -3.386 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.936 -3.945 -1.377 1.00 0.00 H new ATOM 753 N GLN A 54 -3.317 -6.803 -0.609 1.00 0.00 N ATOM 754 CA GLN A 54 -1.913 -7.196 -0.603 1.00 0.00 C ATOM 755 C GLN A 54 -1.083 -6.265 -1.481 1.00 0.00 C ATOM 756 O GLN A 54 -1.398 -6.055 -2.653 1.00 0.00 O ATOM 757 CB GLN A 54 -1.763 -8.640 -1.086 1.00 0.00 C ATOM 758 CG GLN A 54 -0.425 -9.266 -0.728 1.00 0.00 C ATOM 759 CD GLN A 54 -0.147 -10.535 -1.508 1.00 0.00 C ATOM 760 OE1 GLN A 54 -0.973 -10.981 -2.306 1.00 0.00 O ATOM 761 NE2 GLN A 54 1.021 -11.126 -1.282 1.00 0.00 N ATOM 0 H GLN A 54 -3.903 -7.341 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.546 -7.123 0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.563 -9.243 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.889 -8.667 -2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.371 -8.546 -0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.406 -9.488 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.676 -10.722 -0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.263 -11.984 -1.778 1.00 0.00 H new ATOM 770 N LEU A 55 -0.021 -5.710 -0.908 1.00 0.00 N ATOM 771 CA LEU A 55 0.855 -4.800 -1.638 1.00 0.00 C ATOM 772 C LEU A 55 1.724 -5.563 -2.633 1.00 0.00 C ATOM 773 O LEU A 55 2.629 -6.302 -2.243 1.00 0.00 O ATOM 774 CB LEU A 55 1.739 -4.020 -0.664 1.00 0.00 C ATOM 775 CG LEU A 55 2.578 -2.896 -1.272 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.719 -1.669 -1.531 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.746 -2.549 -0.360 1.00 0.00 C ATOM 0 H LEU A 55 0.255 -5.874 0.060 1.00 0.00 H new ATOM 0 HA LEU A 55 0.230 -4.099 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.102 -3.593 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.411 -4.723 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 55 2.978 -3.242 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.333 -0.879 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.917 -1.926 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.289 -1.321 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.332 -1.747 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.367 -2.223 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.376 -3.428 -0.226 1.00 0.00 H new ATOM 789 N LEU A 56 1.445 -5.377 -3.918 1.00 0.00 N ATOM 790 CA LEU A 56 2.203 -6.046 -4.970 1.00 0.00 C ATOM 791 C LEU A 56 3.545 -5.358 -5.195 1.00 0.00 C ATOM 792 O LEU A 56 4.592 -6.005 -5.206 1.00 0.00 O ATOM 793 CB LEU A 56 1.400 -6.063 -6.272 1.00 0.00 C ATOM 794 CG LEU A 56 0.171 -6.972 -6.291 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.571 -6.839 -7.612 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.574 -8.419 -6.047 1.00 0.00 C ATOM 0 H LEU A 56 0.700 -4.769 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 56 2.391 -7.072 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.077 -5.045 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.064 -6.367 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.499 -6.662 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.443 -7.493 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.893 -5.806 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.090 -7.122 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.313 -9.052 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.264 -8.741 -6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.060 -8.502 -5.075 1.00 0.00 H new ATOM 808 N SER A 57 3.507 -4.041 -5.374 1.00 0.00 N ATOM 809 CA SER A 57 4.720 -3.264 -5.601 1.00 0.00 C ATOM 810 C SER A 57 4.462 -1.777 -5.379 1.00 0.00 C ATOM 811 O SER A 57 3.343 -1.295 -5.558 1.00 0.00 O ATOM 812 CB SER A 57 5.241 -3.497 -7.020 1.00 0.00 C ATOM 813 OG SER A 57 5.435 -4.878 -7.272 1.00 0.00 O ATOM 0 H SER A 57 2.649 -3.490 -5.366 1.00 0.00 H new ATOM 0 HA SER A 57 5.473 -3.595 -4.886 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.534 -3.088 -7.742 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.181 -2.963 -7.158 1.00 0.00 H new ATOM 0 HG SER A 57 5.629 -5.340 -6.430 1.00 0.00 H new ATOM 819 N VAL A 58 5.507 -1.054 -4.987 1.00 0.00 N ATOM 820 CA VAL A 58 5.396 0.379 -4.741 1.00 0.00 C ATOM 821 C VAL A 58 6.435 1.156 -5.541 1.00 0.00 C ATOM 822 O VAL A 58 7.588 0.740 -5.649 1.00 0.00 O ATOM 823 CB VAL A 58 5.564 0.706 -3.246 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.434 2.203 -3.009 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.549 -0.064 -2.415 1.00 0.00 C ATOM 0 H VAL A 58 6.440 -1.437 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 58 4.398 0.679 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 58 6.562 0.399 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.556 2.415 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.203 2.729 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.450 2.539 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.682 0.179 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.541 0.210 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.695 -1.134 -2.562 1.00 0.00 H new ATOM 835 N ASN A 59 6.019 2.288 -6.100 1.00 0.00 N ATOM 836 CA ASN A 59 6.915 3.124 -6.891 1.00 0.00 C ATOM 837 C ASN A 59 7.607 2.305 -7.977 1.00 0.00 C ATOM 838 O ASN A 59 8.777 2.526 -8.284 1.00 0.00 O ATOM 839 CB ASN A 59 7.960 3.782 -5.989 1.00 0.00 C ATOM 840 CG ASN A 59 7.411 4.990 -5.253 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.310 6.080 -5.816 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.053 4.800 -3.989 1.00 0.00 N ATOM 0 H ASN A 59 5.068 2.647 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 59 6.319 3.900 -7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.322 3.052 -5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.816 4.085 -6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.676 5.575 -3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.154 3.879 -3.563 1.00 0.00 H new ATOM 849 N GLY A 60 6.873 1.359 -8.555 1.00 0.00 N ATOM 850 CA GLY A 60 7.432 0.522 -9.600 1.00 0.00 C ATOM 851 C GLY A 60 8.526 -0.393 -9.087 1.00 0.00 C ATOM 852 O GLY A 60 9.463 -0.722 -9.815 1.00 0.00 O ATOM 0 H GLY A 60 5.902 1.158 -8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.638 -0.079 -10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.833 1.154 -10.392 1.00 0.00 H new ATOM 856 N VAL A 61 8.410 -0.805 -7.828 1.00 0.00 N ATOM 857 CA VAL A 61 9.397 -1.687 -7.218 1.00 0.00 C ATOM 858 C VAL A 61 8.729 -2.891 -6.563 1.00 0.00 C ATOM 859 O VAL A 61 7.846 -2.741 -5.719 1.00 0.00 O ATOM 860 CB VAL A 61 10.237 -0.944 -6.162 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.247 -1.885 -5.524 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.934 0.257 -6.785 1.00 0.00 C ATOM 0 H VAL A 61 7.642 -0.542 -7.211 1.00 0.00 H new ATOM 0 HA VAL A 61 10.052 -2.029 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 61 9.569 -0.583 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.831 -1.342 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.722 -2.709 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.913 -2.279 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.523 0.770 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.591 -0.079 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.188 0.941 -7.189 1.00 0.00 H new ATOM 872 N SER A 62 9.156 -4.086 -6.959 1.00 0.00 N ATOM 873 CA SER A 62 8.597 -5.317 -6.414 1.00 0.00 C ATOM 874 C SER A 62 8.863 -5.417 -4.915 1.00 0.00 C ATOM 875 O SER A 62 10.012 -5.493 -4.480 1.00 0.00 O ATOM 876 CB SER A 62 9.189 -6.532 -7.130 1.00 0.00 C ATOM 877 OG SER A 62 9.134 -6.372 -8.537 1.00 0.00 O ATOM 0 H SER A 62 9.888 -4.227 -7.656 1.00 0.00 H new ATOM 0 HA SER A 62 7.519 -5.299 -6.574 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.223 -6.674 -6.817 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.643 -7.430 -6.841 1.00 0.00 H new ATOM 0 HG SER A 62 9.520 -7.161 -8.971 1.00 0.00 H new ATOM 883 N VAL A 63 7.791 -5.416 -4.129 1.00 0.00 N ATOM 884 CA VAL A 63 7.906 -5.508 -2.678 1.00 0.00 C ATOM 885 C VAL A 63 7.505 -6.892 -2.182 1.00 0.00 C ATOM 886 O VAL A 63 8.060 -7.396 -1.206 1.00 0.00 O ATOM 887 CB VAL A 63 7.032 -4.450 -1.978 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.513 -3.048 -2.320 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.571 -4.629 -2.360 1.00 0.00 C ATOM 0 H VAL A 63 6.833 -5.352 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 63 8.952 -5.326 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 63 7.121 -4.586 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.883 -2.314 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.545 -2.927 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.456 -2.896 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.968 -3.873 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.461 -4.521 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.235 -5.621 -2.059 1.00 0.00 H new ATOM 899 N GLU A 64 6.538 -7.501 -2.860 1.00 0.00 N ATOM 900 CA GLU A 64 6.063 -8.828 -2.487 1.00 0.00 C ATOM 901 C GLU A 64 7.222 -9.717 -2.047 1.00 0.00 C ATOM 902 O GLU A 64 7.116 -10.456 -1.068 1.00 0.00 O ATOM 903 CB GLU A 64 5.324 -9.478 -3.658 1.00 0.00 C ATOM 904 CG GLU A 64 3.955 -8.874 -3.925 1.00 0.00 C ATOM 905 CD GLU A 64 2.870 -9.483 -3.058 1.00 0.00 C ATOM 906 OE1 GLU A 64 2.637 -10.704 -3.171 1.00 0.00 O ATOM 907 OE2 GLU A 64 2.253 -8.738 -2.269 1.00 0.00 O ATOM 0 H GLU A 64 6.068 -7.097 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 64 5.375 -8.717 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.934 -9.387 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.209 -10.543 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.995 -7.799 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.698 -9.015 -4.975 1.00 0.00 H new ATOM 914 N GLY A 65 8.330 -9.641 -2.778 1.00 0.00 N ATOM 915 CA GLY A 65 9.493 -10.444 -2.449 1.00 0.00 C ATOM 916 C GLY A 65 10.594 -9.630 -1.798 1.00 0.00 C ATOM 917 O GLY A 65 11.740 -9.654 -2.247 1.00 0.00 O ATOM 0 H GLY A 65 8.443 -9.037 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.196 -11.250 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.878 -10.910 -3.356 1.00 0.00 H new ATOM 921 N GLU A 66 10.245 -8.906 -0.739 1.00 0.00 N ATOM 922 CA GLU A 66 11.213 -8.079 -0.028 1.00 0.00 C ATOM 923 C GLU A 66 10.792 -7.877 1.425 1.00 0.00 C ATOM 924 O GLU A 66 9.654 -8.161 1.797 1.00 0.00 O ATOM 925 CB GLU A 66 11.365 -6.723 -0.720 1.00 0.00 C ATOM 926 CG GLU A 66 12.055 -6.804 -2.072 1.00 0.00 C ATOM 927 CD GLU A 66 13.359 -7.574 -2.016 1.00 0.00 C ATOM 928 OE1 GLU A 66 14.080 -7.451 -1.004 1.00 0.00 O ATOM 929 OE2 GLU A 66 13.660 -8.302 -2.986 1.00 0.00 O ATOM 0 H GLU A 66 9.301 -8.875 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 66 12.173 -8.595 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.378 -6.279 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.932 -6.055 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.386 -7.281 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.248 -5.796 -2.438 1.00 0.00 H new ATOM 936 N GLN A 67 11.719 -7.384 2.240 1.00 0.00 N ATOM 937 CA GLN A 67 11.445 -7.145 3.652 1.00 0.00 C ATOM 938 C GLN A 67 10.719 -5.818 3.848 1.00 0.00 C ATOM 939 O GLN A 67 10.834 -4.908 3.026 1.00 0.00 O ATOM 940 CB GLN A 67 12.747 -7.151 4.455 1.00 0.00 C ATOM 941 CG GLN A 67 12.575 -7.625 5.889 1.00 0.00 C ATOM 942 CD GLN A 67 12.753 -9.124 6.034 1.00 0.00 C ATOM 943 OE1 GLN A 67 12.895 -9.842 5.044 1.00 0.00 O ATOM 944 NE2 GLN A 67 12.745 -9.604 7.271 1.00 0.00 N ATOM 0 H GLN A 67 12.666 -7.142 1.947 1.00 0.00 H new ATOM 0 HA GLN A 67 10.801 -7.948 4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.471 -7.793 3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.165 -6.144 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.297 -7.114 6.526 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.583 -7.345 6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.624 -8.972 8.062 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.860 -10.605 7.430 1.00 0.00 H new ATOM 953 N HIS A 68 9.971 -5.714 4.942 1.00 0.00 N ATOM 954 CA HIS A 68 9.226 -4.498 5.247 1.00 0.00 C ATOM 955 C HIS A 68 10.077 -3.259 4.982 1.00 0.00 C ATOM 956 O HIS A 68 9.683 -2.375 4.222 1.00 0.00 O ATOM 957 CB HIS A 68 8.761 -4.510 6.703 1.00 0.00 C ATOM 958 CG HIS A 68 7.782 -3.424 7.028 1.00 0.00 C ATOM 959 ND1 HIS A 68 6.783 -3.569 7.968 1.00 0.00 N ATOM 960 CD2 HIS A 68 7.653 -2.171 6.534 1.00 0.00 C ATOM 961 CE1 HIS A 68 6.081 -2.452 8.036 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.588 -1.587 7.176 1.00 0.00 N ATOM 0 H HIS A 68 9.865 -6.458 5.632 1.00 0.00 H new ATOM 0 HA HIS A 68 8.353 -4.464 4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.306 -5.476 6.923 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.630 -4.412 7.354 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.272 -1.715 5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.236 -2.276 8.685 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.245 -0.640 7.015 1.00 0.00 H new ATOM 970 N GLU A 69 11.245 -3.203 5.615 1.00 0.00 N ATOM 971 CA GLU A 69 12.150 -2.072 5.449 1.00 0.00 C ATOM 972 C GLU A 69 12.077 -1.521 4.027 1.00 0.00 C ATOM 973 O GLU A 69 11.832 -0.333 3.821 1.00 0.00 O ATOM 974 CB GLU A 69 13.586 -2.487 5.773 1.00 0.00 C ATOM 975 CG GLU A 69 13.810 -2.807 7.242 1.00 0.00 C ATOM 976 CD GLU A 69 13.605 -1.603 8.139 1.00 0.00 C ATOM 977 OE1 GLU A 69 13.725 -0.464 7.642 1.00 0.00 O ATOM 978 OE2 GLU A 69 13.323 -1.799 9.340 1.00 0.00 O ATOM 0 H GLU A 69 11.586 -3.927 6.247 1.00 0.00 H new ATOM 0 HA GLU A 69 11.841 -1.288 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.846 -3.361 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.263 -1.685 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.128 -3.601 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.822 -3.188 7.377 1.00 0.00 H new ATOM 985 N LYS A 70 12.291 -2.395 3.049 1.00 0.00 N ATOM 986 CA LYS A 70 12.250 -1.999 1.647 1.00 0.00 C ATOM 987 C LYS A 70 11.033 -1.123 1.364 1.00 0.00 C ATOM 988 O LYS A 70 11.168 0.024 0.940 1.00 0.00 O ATOM 989 CB LYS A 70 12.221 -3.237 0.747 1.00 0.00 C ATOM 990 CG LYS A 70 11.941 -2.921 -0.712 1.00 0.00 C ATOM 991 CD LYS A 70 13.042 -2.068 -1.319 1.00 0.00 C ATOM 992 CE LYS A 70 14.154 -2.925 -1.903 1.00 0.00 C ATOM 993 NZ LYS A 70 13.784 -3.484 -3.233 1.00 0.00 N ATOM 0 H LYS A 70 12.495 -3.383 3.202 1.00 0.00 H new ATOM 0 HA LYS A 70 13.149 -1.422 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.179 -3.753 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.459 -3.925 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.847 -3.850 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.987 -2.400 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.623 -1.433 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.453 -1.407 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.060 -2.327 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.382 -3.741 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.374 -4.316 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.782 -3.764 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.936 -2.763 -3.967 1.00 0.00 H new ATOM 1007 N ALA A 71 9.847 -1.672 1.603 1.00 0.00 N ATOM 1008 CA ALA A 71 8.607 -0.939 1.378 1.00 0.00 C ATOM 1009 C ALA A 71 8.713 0.491 1.896 1.00 0.00 C ATOM 1010 O ALA A 71 8.451 1.448 1.167 1.00 0.00 O ATOM 1011 CB ALA A 71 7.441 -1.658 2.040 1.00 0.00 C ATOM 0 H ALA A 71 9.718 -2.622 1.952 1.00 0.00 H new ATOM 0 HA ALA A 71 8.429 -0.896 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.522 -1.099 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.344 -2.659 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.621 -1.732 3.113 1.00 0.00 H new ATOM 1017 N VAL A 72 9.097 0.630 3.162 1.00 0.00 N ATOM 1018 CA VAL A 72 9.237 1.944 3.778 1.00 0.00 C ATOM 1019 C VAL A 72 10.151 2.843 2.953 1.00 0.00 C ATOM 1020 O VAL A 72 9.822 3.997 2.683 1.00 0.00 O ATOM 1021 CB VAL A 72 9.797 1.835 5.209 1.00 0.00 C ATOM 1022 CG1 VAL A 72 10.013 3.218 5.804 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.865 1.010 6.084 1.00 0.00 C ATOM 0 H VAL A 72 9.316 -0.151 3.780 1.00 0.00 H new ATOM 0 HA VAL A 72 8.240 2.384 3.818 1.00 0.00 H new ATOM 0 HB VAL A 72 10.761 1.329 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.409 3.121 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.721 3.772 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.064 3.753 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.276 0.943 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.885 1.487 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.765 0.008 5.666 1.00 0.00 H new ATOM 1033 N GLU A 73 11.300 2.305 2.556 1.00 0.00 N ATOM 1034 CA GLU A 73 12.262 3.060 1.762 1.00 0.00 C ATOM 1035 C GLU A 73 11.620 3.578 0.478 1.00 0.00 C ATOM 1036 O GLU A 73 11.754 4.753 0.134 1.00 0.00 O ATOM 1037 CB GLU A 73 13.474 2.188 1.424 1.00 0.00 C ATOM 1038 CG GLU A 73 14.172 1.617 2.647 1.00 0.00 C ATOM 1039 CD GLU A 73 14.507 2.678 3.677 1.00 0.00 C ATOM 1040 OE1 GLU A 73 15.406 3.502 3.407 1.00 0.00 O ATOM 1041 OE2 GLU A 73 13.872 2.684 4.752 1.00 0.00 O ATOM 0 H GLU A 73 11.587 1.350 2.771 1.00 0.00 H new ATOM 0 HA GLU A 73 12.592 3.914 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.153 1.367 0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.188 2.779 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.534 0.861 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.089 1.116 2.336 1.00 0.00 H new ATOM 1048 N LEU A 74 10.924 2.693 -0.226 1.00 0.00 N ATOM 1049 CA LEU A 74 10.261 3.059 -1.473 1.00 0.00 C ATOM 1050 C LEU A 74 9.343 4.261 -1.270 1.00 0.00 C ATOM 1051 O LEU A 74 9.476 5.279 -1.950 1.00 0.00 O ATOM 1052 CB LEU A 74 9.457 1.875 -2.013 1.00 0.00 C ATOM 1053 CG LEU A 74 10.217 0.556 -2.154 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.268 -0.569 -2.536 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.330 0.689 -3.183 1.00 0.00 C ATOM 0 H LEU A 74 10.804 1.717 0.045 1.00 0.00 H new ATOM 0 HA LEU A 74 11.029 3.330 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.604 1.711 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.058 2.148 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 74 10.666 0.314 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.827 -1.500 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.507 -0.681 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.789 -0.334 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.860 -0.259 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.902 0.956 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.026 1.466 -2.868 1.00 0.00 H new ATOM 1067 N LEU A 75 8.414 4.136 -0.329 1.00 0.00 N ATOM 1068 CA LEU A 75 7.476 5.213 -0.033 1.00 0.00 C ATOM 1069 C LEU A 75 8.197 6.553 0.064 1.00 0.00 C ATOM 1070 O LEU A 75 7.765 7.548 -0.519 1.00 0.00 O ATOM 1071 CB LEU A 75 6.733 4.925 1.273 1.00 0.00 C ATOM 1072 CG LEU A 75 5.477 4.061 1.154 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.129 3.438 2.497 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.311 4.885 0.628 1.00 0.00 C ATOM 0 H LEU A 75 8.290 3.300 0.242 1.00 0.00 H new ATOM 0 HA LEU A 75 6.756 5.268 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.423 4.435 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.454 5.876 1.726 1.00 0.00 H new ATOM 0 HG LEU A 75 5.677 3.258 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.233 2.827 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.957 2.814 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.948 4.226 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.426 4.254 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.110 5.709 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.561 5.283 -0.355 1.00 0.00 H new ATOM 1086 N LYS A 76 9.301 6.573 0.803 1.00 0.00 N ATOM 1087 CA LYS A 76 10.087 7.789 0.974 1.00 0.00 C ATOM 1088 C LYS A 76 10.769 8.185 -0.332 1.00 0.00 C ATOM 1089 O LYS A 76 10.833 9.364 -0.677 1.00 0.00 O ATOM 1090 CB LYS A 76 11.136 7.594 2.071 1.00 0.00 C ATOM 1091 CG LYS A 76 10.543 7.235 3.423 1.00 0.00 C ATOM 1092 CD LYS A 76 11.492 6.374 4.238 1.00 0.00 C ATOM 1093 CE LYS A 76 12.575 7.211 4.901 1.00 0.00 C ATOM 1094 NZ LYS A 76 13.832 6.438 5.099 1.00 0.00 N ATOM 0 H LYS A 76 9.672 5.759 1.294 1.00 0.00 H new ATOM 0 HA LYS A 76 9.409 8.591 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.826 6.808 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.719 8.509 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.314 8.147 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.602 6.704 3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.931 5.834 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.953 5.627 3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.781 8.089 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.216 7.572 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.544 7.044 5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.641 5.614 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.190 6.115 4.177 1.00 0.00 H new ATOM 1108 N ALA A 77 11.277 7.191 -1.053 1.00 0.00 N ATOM 1109 CA ALA A 77 11.951 7.436 -2.322 1.00 0.00 C ATOM 1110 C ALA A 77 11.097 8.306 -3.239 1.00 0.00 C ATOM 1111 O ALA A 77 11.607 9.204 -3.909 1.00 0.00 O ATOM 1112 CB ALA A 77 12.286 6.118 -3.005 1.00 0.00 C ATOM 0 H ALA A 77 11.235 6.209 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 77 12.877 7.972 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.789 6.316 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.942 5.531 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.368 5.561 -3.192 1.00 0.00 H new ATOM 1118 N ALA A 78 9.797 8.033 -3.263 1.00 0.00 N ATOM 1119 CA ALA A 78 8.873 8.792 -4.097 1.00 0.00 C ATOM 1120 C ALA A 78 8.984 10.287 -3.818 1.00 0.00 C ATOM 1121 O ALA A 78 9.643 10.702 -2.865 1.00 0.00 O ATOM 1122 CB ALA A 78 7.446 8.316 -3.871 1.00 0.00 C ATOM 0 H ALA A 78 9.360 7.292 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 78 9.140 8.622 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.767 8.891 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.370 7.259 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.177 8.456 -2.824 1.00 0.00 H new ATOM 1128 N GLN A 79 8.335 11.091 -4.655 1.00 0.00 N ATOM 1129 CA GLN A 79 8.363 12.540 -4.498 1.00 0.00 C ATOM 1130 C GLN A 79 7.168 13.186 -5.192 1.00 0.00 C ATOM 1131 O GLN A 79 7.035 13.116 -6.413 1.00 0.00 O ATOM 1132 CB GLN A 79 9.665 13.110 -5.062 1.00 0.00 C ATOM 1133 CG GLN A 79 10.784 13.201 -4.037 1.00 0.00 C ATOM 1134 CD GLN A 79 11.778 14.301 -4.355 1.00 0.00 C ATOM 1135 OE1 GLN A 79 11.926 14.706 -5.508 1.00 0.00 O ATOM 1136 NE2 GLN A 79 12.466 14.791 -3.330 1.00 0.00 N ATOM 0 H GLN A 79 7.784 10.763 -5.448 1.00 0.00 H new ATOM 0 HA GLN A 79 8.307 12.766 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.995 12.487 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.472 14.104 -5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.355 13.378 -3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.307 12.246 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.311 14.425 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.149 15.533 -3.482 1.00 0.00 H new ATOM 1145 N GLY A 80 6.300 13.814 -4.404 1.00 0.00 N ATOM 1146 CA GLY A 80 5.127 14.462 -4.961 1.00 0.00 C ATOM 1147 C GLY A 80 3.954 13.514 -5.104 1.00 0.00 C ATOM 1148 O GLY A 80 2.814 13.878 -4.815 1.00 0.00 O ATOM 0 H GLY A 80 6.388 13.885 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.839 15.297 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.375 14.878 -5.937 1.00 0.00 H new ATOM 1152 N SER A 81 4.232 12.294 -5.552 1.00 0.00 N ATOM 1153 CA SER A 81 3.188 11.292 -5.739 1.00 0.00 C ATOM 1154 C SER A 81 3.777 9.885 -5.715 1.00 0.00 C ATOM 1155 O SER A 81 4.815 9.622 -6.323 1.00 0.00 O ATOM 1156 CB SER A 81 2.455 11.528 -7.060 1.00 0.00 C ATOM 1157 OG SER A 81 3.371 11.677 -8.132 1.00 0.00 O ATOM 0 H SER A 81 5.171 11.975 -5.792 1.00 0.00 H new ATOM 0 HA SER A 81 2.478 11.385 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.786 10.692 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.835 12.421 -6.981 1.00 0.00 H new ATOM 0 HG SER A 81 2.878 11.825 -8.966 1.00 0.00 H new ATOM 1163 N VAL A 82 3.106 8.981 -5.007 1.00 0.00 N ATOM 1164 CA VAL A 82 3.560 7.600 -4.903 1.00 0.00 C ATOM 1165 C VAL A 82 2.634 6.658 -5.665 1.00 0.00 C ATOM 1166 O VAL A 82 1.504 7.016 -5.999 1.00 0.00 O ATOM 1167 CB VAL A 82 3.641 7.144 -3.434 1.00 0.00 C ATOM 1168 CG1 VAL A 82 4.748 7.890 -2.704 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.303 7.346 -2.740 1.00 0.00 C ATOM 0 H VAL A 82 2.246 9.181 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 82 4.556 7.561 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 82 3.878 6.080 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.790 7.555 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.703 7.690 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.545 8.961 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.378 7.019 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.034 8.402 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.537 6.762 -3.250 1.00 0.00 H new ATOM 1179 N LYS A 83 3.120 5.452 -5.938 1.00 0.00 N ATOM 1180 CA LYS A 83 2.336 4.456 -6.659 1.00 0.00 C ATOM 1181 C LYS A 83 2.261 3.150 -5.874 1.00 0.00 C ATOM 1182 O LYS A 83 3.256 2.436 -5.740 1.00 0.00 O ATOM 1183 CB LYS A 83 2.946 4.199 -8.039 1.00 0.00 C ATOM 1184 CG LYS A 83 2.398 5.108 -9.125 1.00 0.00 C ATOM 1185 CD LYS A 83 3.195 4.983 -10.413 1.00 0.00 C ATOM 1186 CE LYS A 83 2.751 6.008 -11.445 1.00 0.00 C ATOM 1187 NZ LYS A 83 3.442 7.314 -11.263 1.00 0.00 N ATOM 0 H LYS A 83 4.054 5.140 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 83 1.325 4.845 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.027 4.329 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.765 3.161 -8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.354 4.859 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.421 6.142 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.256 5.116 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.075 3.979 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.953 5.627 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.673 6.154 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.747 8.041 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.155 7.228 -10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.908 7.587 -12.152 1.00 0.00 H new ATOM 1201 N LEU A 84 1.076 2.843 -5.359 1.00 0.00 N ATOM 1202 CA LEU A 84 0.870 1.621 -4.589 1.00 0.00 C ATOM 1203 C LEU A 84 -0.028 0.646 -5.343 1.00 0.00 C ATOM 1204 O LEU A 84 -1.232 0.866 -5.471 1.00 0.00 O ATOM 1205 CB LEU A 84 0.253 1.951 -3.228 1.00 0.00 C ATOM 1206 CG LEU A 84 0.965 3.032 -2.413 1.00 0.00 C ATOM 1207 CD1 LEU A 84 0.006 3.669 -1.419 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.172 2.449 -1.693 1.00 0.00 C ATOM 0 H LEU A 84 0.243 3.423 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 84 1.841 1.149 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.779 2.264 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.222 1.037 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 84 1.314 3.805 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.530 4.436 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.827 4.122 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.373 2.906 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.666 3.232 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.846 1.656 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.870 2.041 -2.424 1.00 0.00 H new ATOM 1220 N VAL A 85 0.567 -0.434 -5.841 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.179 -1.445 -6.580 1.00 0.00 C ATOM 1222 C VAL A 85 -0.775 -2.486 -5.639 1.00 0.00 C ATOM 1223 O VAL A 85 -0.126 -2.925 -4.689 1.00 0.00 O ATOM 1224 CB VAL A 85 0.713 -2.156 -7.614 1.00 0.00 C ATOM 1225 CG1 VAL A 85 -0.072 -3.235 -8.345 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.295 -1.151 -8.597 1.00 0.00 C ATOM 0 H VAL A 85 1.563 -0.631 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.984 -0.926 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 85 1.539 -2.634 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.575 -3.726 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.435 -3.970 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.919 -2.782 -8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.923 -1.671 -9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.485 -0.642 -9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.895 -0.419 -8.056 1.00 0.00 H new ATOM 1236 N VAL A 86 -2.017 -2.877 -5.908 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.701 -3.868 -5.087 1.00 0.00 C ATOM 1238 C VAL A 86 -3.438 -4.885 -5.951 1.00 0.00 C ATOM 1239 O VAL A 86 -3.620 -4.679 -7.151 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.706 -3.204 -4.127 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.995 -2.229 -3.201 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.807 -2.503 -4.909 1.00 0.00 C ATOM 0 H VAL A 86 -2.570 -2.522 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.934 -4.379 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.165 -3.981 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.721 -1.769 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.247 -2.763 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.507 -1.455 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.508 -2.040 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.368 -1.736 -5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.335 -3.230 -5.526 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.859 -5.984 -5.334 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.575 -7.035 -6.047 1.00 0.00 C ATOM 1254 C ARG A 87 -5.979 -7.219 -5.478 1.00 0.00 C ATOM 1255 O ARG A 87 -6.146 -7.679 -4.349 1.00 0.00 O ATOM 1256 CB ARG A 87 -3.804 -8.353 -5.966 1.00 0.00 C ATOM 1257 CG ARG A 87 -4.341 -9.431 -6.893 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.464 -10.673 -6.870 1.00 0.00 C ATOM 1259 NE ARG A 87 -3.864 -11.645 -7.885 1.00 0.00 N ATOM 1260 CZ ARG A 87 -3.586 -12.941 -7.811 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -2.910 -13.420 -6.775 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -3.985 -13.763 -8.773 1.00 0.00 N ATOM 0 H ARG A 87 -3.717 -6.170 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.661 -6.736 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.757 -8.167 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.835 -8.720 -4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.356 -9.695 -6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.397 -9.043 -7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.425 -10.386 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.517 -11.136 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.385 -11.309 -8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.602 -12.792 -6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.698 -14.416 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.506 -13.399 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.771 -14.759 -8.715 1.00 0.00 H new