USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 330 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 19 GLN : amide:sc= -0.0177 X(o=-0.018,f=0.45) USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot 160:sc= 0.674 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.572 X(o=1.2,f=1.1) USER MOD Single : A 9 SER OG : rot 86:sc= 1.17 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00667 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0442 USER MOD ----------------------------------------------------------------- ATOM 82 N GLU A 6 9.294 -20.898 -7.846 1.00 0.00 N ATOM 83 CA GLU A 6 10.338 -20.747 -6.834 1.00 0.00 C ATOM 84 C GLU A 6 11.241 -19.559 -7.168 1.00 0.00 C ATOM 85 O GLU A 6 11.276 -19.079 -8.302 1.00 0.00 O ATOM 86 CB GLU A 6 11.180 -22.026 -6.757 1.00 0.00 C ATOM 87 CG GLU A 6 10.463 -23.216 -6.098 1.00 0.00 C ATOM 88 CD GLU A 6 10.042 -22.992 -4.631 1.00 0.00 C ATOM 89 OE1 GLU A 6 10.648 -22.134 -3.957 1.00 0.00 O ATOM 90 OE2 GLU A 6 9.129 -23.736 -4.180 1.00 0.00 O ATOM 0 HA GLU A 6 9.861 -20.567 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.480 -22.311 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.093 -21.813 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.575 -23.455 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.118 -24.086 -6.144 1.00 0.00 H new ATOM 97 N VAL A 7 11.947 -19.055 -6.162 1.00 0.00 N ATOM 98 CA VAL A 7 12.862 -17.924 -6.269 1.00 0.00 C ATOM 99 C VAL A 7 13.865 -18.169 -7.393 1.00 0.00 C ATOM 100 O VAL A 7 14.497 -19.219 -7.471 1.00 0.00 O ATOM 101 CB VAL A 7 13.542 -17.679 -4.907 1.00 0.00 C ATOM 102 CG1 VAL A 7 14.360 -16.382 -4.934 1.00 0.00 C ATOM 103 CG2 VAL A 7 12.505 -17.583 -3.777 1.00 0.00 C ATOM 0 H VAL A 7 11.896 -19.436 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 7 12.313 -17.018 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 7 14.201 -18.527 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.831 -16.229 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.129 -16.453 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.702 -15.541 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.015 -17.410 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.823 -16.757 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.941 -18.514 -3.721 1.00 0.00 H new ATOM 113 N GLY A 8 14.009 -17.164 -8.257 1.00 0.00 N ATOM 114 CA GLY A 8 14.930 -17.179 -9.382 1.00 0.00 C ATOM 115 C GLY A 8 14.255 -17.566 -10.698 1.00 0.00 C ATOM 116 O GLY A 8 14.821 -17.280 -11.755 1.00 0.00 O ATOM 0 H GLY A 8 13.473 -16.299 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.383 -16.193 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.738 -17.880 -9.174 1.00 0.00 H new ATOM 120 N SER A 9 13.058 -18.159 -10.652 1.00 0.00 N ATOM 121 CA SER A 9 12.259 -18.415 -11.847 1.00 0.00 C ATOM 122 C SER A 9 11.844 -17.095 -12.501 1.00 0.00 C ATOM 123 O SER A 9 11.783 -16.058 -11.835 1.00 0.00 O ATOM 124 CB SER A 9 11.010 -19.230 -11.489 1.00 0.00 C ATOM 125 OG SER A 9 11.329 -20.367 -10.714 1.00 0.00 O ATOM 0 H SER A 9 12.620 -18.473 -9.786 1.00 0.00 H new ATOM 0 HA SER A 9 12.865 -18.985 -12.551 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.310 -18.600 -10.939 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.506 -19.543 -12.403 1.00 0.00 H new ATOM 0 HG SER A 9 11.366 -20.118 -9.767 1.00 0.00 H new ATOM 131 N VAL A 10 11.475 -17.142 -13.777 1.00 0.00 N ATOM 132 CA VAL A 10 10.839 -16.033 -14.477 1.00 0.00 C ATOM 133 C VAL A 10 9.512 -16.559 -15.015 1.00 0.00 C ATOM 134 O VAL A 10 9.415 -17.692 -15.481 1.00 0.00 O ATOM 135 CB VAL A 10 11.779 -15.472 -15.566 1.00 0.00 C ATOM 136 CG1 VAL A 10 11.181 -14.239 -16.256 1.00 0.00 C ATOM 137 CG2 VAL A 10 13.141 -15.059 -14.987 1.00 0.00 C ATOM 0 H VAL A 10 11.612 -17.966 -14.363 1.00 0.00 H new ATOM 0 HA VAL A 10 10.639 -15.187 -13.819 1.00 0.00 H new ATOM 0 HB VAL A 10 11.907 -16.280 -16.286 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.873 -13.875 -17.015 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.235 -14.508 -16.727 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.009 -13.456 -15.517 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.773 -14.670 -15.785 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.996 -14.288 -14.230 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.622 -15.926 -14.534 1.00 0.00 H new ATOM 147 N TYR A 11 8.481 -15.731 -14.910 1.00 0.00 N ATOM 148 CA TYR A 11 7.099 -16.039 -15.254 1.00 0.00 C ATOM 149 C TYR A 11 6.496 -14.795 -15.908 1.00 0.00 C ATOM 150 O TYR A 11 7.206 -13.828 -16.194 1.00 0.00 O ATOM 151 CB TYR A 11 6.379 -16.450 -13.960 1.00 0.00 C ATOM 152 CG TYR A 11 5.055 -17.213 -14.041 1.00 0.00 C ATOM 153 CD1 TYR A 11 4.564 -17.761 -15.248 1.00 0.00 C ATOM 154 CD2 TYR A 11 4.322 -17.405 -12.851 1.00 0.00 C ATOM 155 CE1 TYR A 11 3.351 -18.476 -15.268 1.00 0.00 C ATOM 156 CE2 TYR A 11 3.109 -18.121 -12.858 1.00 0.00 C ATOM 157 CZ TYR A 11 2.622 -18.660 -14.070 1.00 0.00 C ATOM 158 OH TYR A 11 1.485 -19.409 -14.069 1.00 0.00 O ATOM 0 H TYR A 11 8.592 -14.778 -14.565 1.00 0.00 H new ATOM 0 HA TYR A 11 7.006 -16.863 -15.962 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.072 -17.060 -13.381 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.197 -15.542 -13.385 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.124 -17.630 -16.162 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.696 -16.998 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.978 -18.883 -16.196 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.554 -18.257 -11.942 1.00 0.00 H new ATOM 0 HH TYR A 11 1.110 -19.433 -13.164 1.00 0.00 H new ATOM 168 N THR A 12 5.191 -14.800 -16.124 1.00 0.00 N ATOM 169 CA THR A 12 4.447 -13.672 -16.655 1.00 0.00 C ATOM 170 C THR A 12 3.193 -13.500 -15.797 1.00 0.00 C ATOM 171 O THR A 12 2.691 -14.467 -15.228 1.00 0.00 O ATOM 172 CB THR A 12 4.138 -13.952 -18.135 1.00 0.00 C ATOM 173 OG1 THR A 12 5.345 -14.110 -18.876 1.00 0.00 O ATOM 174 CG2 THR A 12 3.362 -12.825 -18.811 1.00 0.00 C ATOM 0 H THR A 12 4.605 -15.612 -15.929 1.00 0.00 H new ATOM 0 HA THR A 12 5.008 -12.738 -16.616 1.00 0.00 H new ATOM 0 HB THR A 12 3.534 -14.859 -18.135 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.157 -14.591 -19.709 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.176 -13.085 -19.853 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.411 -12.680 -18.298 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.944 -11.904 -18.765 1.00 0.00 H new ATOM 182 N GLY A 13 2.694 -12.273 -15.697 1.00 0.00 N ATOM 183 CA GLY A 13 1.448 -11.968 -15.022 1.00 0.00 C ATOM 184 C GLY A 13 0.859 -10.658 -15.526 1.00 0.00 C ATOM 185 O GLY A 13 1.436 -10.000 -16.390 1.00 0.00 O ATOM 0 H GLY A 13 3.155 -11.453 -16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.736 -12.777 -15.184 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.619 -11.904 -13.947 1.00 0.00 H new ATOM 189 N LYS A 14 -0.291 -10.277 -14.969 1.00 0.00 N ATOM 190 CA LYS A 14 -1.078 -9.117 -15.373 1.00 0.00 C ATOM 191 C LYS A 14 -1.201 -8.226 -14.152 1.00 0.00 C ATOM 192 O LYS A 14 -1.664 -8.684 -13.108 1.00 0.00 O ATOM 193 CB LYS A 14 -2.422 -9.617 -15.922 1.00 0.00 C ATOM 194 CG LYS A 14 -3.168 -8.632 -16.835 1.00 0.00 C ATOM 195 CD LYS A 14 -3.732 -7.366 -16.169 1.00 0.00 C ATOM 196 CE LYS A 14 -4.638 -7.616 -14.949 1.00 0.00 C ATOM 197 NZ LYS A 14 -5.921 -8.270 -15.305 1.00 0.00 N ATOM 0 H LYS A 14 -0.714 -10.789 -14.195 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.620 -8.531 -16.169 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.248 -10.539 -16.476 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.068 -9.867 -15.081 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.489 -8.325 -17.631 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.993 -9.164 -17.308 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.899 -6.735 -15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.298 -6.805 -16.913 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.106 -8.239 -14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.845 -6.666 -14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.488 -8.413 -14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.446 -7.666 -15.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.730 -9.190 -15.750 1.00 0.00 H new ATOM 211 N VAL A 15 -0.765 -6.983 -14.258 1.00 0.00 N ATOM 212 CA VAL A 15 -0.710 -6.034 -13.155 1.00 0.00 C ATOM 213 C VAL A 15 -2.133 -5.720 -12.706 1.00 0.00 C ATOM 214 O VAL A 15 -2.969 -5.314 -13.517 1.00 0.00 O ATOM 215 CB VAL A 15 0.057 -4.770 -13.585 1.00 0.00 C ATOM 216 CG1 VAL A 15 0.424 -3.934 -12.352 1.00 0.00 C ATOM 217 CG2 VAL A 15 1.339 -5.086 -14.361 1.00 0.00 C ATOM 0 H VAL A 15 -0.429 -6.593 -15.139 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.171 -6.461 -12.309 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.608 -4.215 -14.247 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.966 -3.042 -12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.485 -3.640 -11.828 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.052 -4.525 -11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.836 -4.156 -14.637 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.005 -5.682 -13.737 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.090 -5.646 -15.263 1.00 0.00 H new ATOM 227 N THR A 16 -2.408 -5.904 -11.420 1.00 0.00 N ATOM 228 CA THR A 16 -3.739 -5.823 -10.822 1.00 0.00 C ATOM 229 C THR A 16 -3.911 -4.603 -9.914 1.00 0.00 C ATOM 230 O THR A 16 -5.048 -4.246 -9.623 1.00 0.00 O ATOM 231 CB THR A 16 -4.038 -7.135 -10.068 1.00 0.00 C ATOM 232 OG1 THR A 16 -2.864 -7.684 -9.481 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.604 -8.185 -11.031 1.00 0.00 C ATOM 0 H THR A 16 -1.683 -6.122 -10.737 1.00 0.00 H new ATOM 0 HA THR A 16 -4.462 -5.693 -11.627 1.00 0.00 H new ATOM 0 HB THR A 16 -4.758 -6.891 -9.287 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.091 -8.513 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.810 -9.106 -10.485 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.527 -7.812 -11.475 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.878 -8.385 -11.819 1.00 0.00 H new ATOM 241 N GLY A 17 -2.839 -3.919 -9.514 1.00 0.00 N ATOM 242 CA GLY A 17 -2.947 -2.684 -8.750 1.00 0.00 C ATOM 243 C GLY A 17 -1.582 -2.057 -8.526 1.00 0.00 C ATOM 244 O GLY A 17 -0.563 -2.681 -8.819 1.00 0.00 O ATOM 0 H GLY A 17 -1.880 -4.206 -9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.591 -1.981 -9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.419 -2.888 -7.789 1.00 0.00 H new ATOM 248 N LEU A 18 -1.572 -0.837 -7.992 1.00 0.00 N ATOM 249 CA LEU A 18 -0.368 -0.074 -7.672 1.00 0.00 C ATOM 250 C LEU A 18 -0.507 0.486 -6.258 1.00 0.00 C ATOM 251 O LEU A 18 -1.609 0.764 -5.789 1.00 0.00 O ATOM 252 CB LEU A 18 -0.175 1.090 -8.662 1.00 0.00 C ATOM 253 CG LEU A 18 0.053 0.699 -10.137 1.00 0.00 C ATOM 254 CD1 LEU A 18 0.172 1.951 -11.010 1.00 0.00 C ATOM 255 CD2 LEU A 18 1.303 -0.153 -10.342 1.00 0.00 C ATOM 0 H LEU A 18 -2.431 -0.336 -7.763 1.00 0.00 H new ATOM 0 HA LEU A 18 0.498 -0.732 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.053 1.733 -8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.676 1.685 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.814 0.105 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.333 1.657 -12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.746 2.535 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.014 2.554 -10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.409 -0.395 -11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.180 0.401 -10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.214 -1.074 -9.766 1.00 0.00 H new ATOM 267 N GLN A 19 0.629 0.703 -5.613 1.00 0.00 N ATOM 268 CA GLN A 19 0.788 1.221 -4.263 1.00 0.00 C ATOM 269 C GLN A 19 2.063 2.071 -4.259 1.00 0.00 C ATOM 270 O GLN A 19 2.960 1.855 -5.076 1.00 0.00 O ATOM 271 CB GLN A 19 0.982 0.083 -3.249 1.00 0.00 C ATOM 272 CG GLN A 19 -0.105 -1.002 -3.231 1.00 0.00 C ATOM 273 CD GLN A 19 0.209 -2.045 -2.164 1.00 0.00 C ATOM 274 OE1 GLN A 19 1.126 -2.842 -2.306 1.00 0.00 O ATOM 275 NE2 GLN A 19 -0.532 -2.044 -1.064 1.00 0.00 N ATOM 0 H GLN A 19 1.529 0.507 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.100 1.788 -3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.940 -0.396 -3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.047 0.520 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.077 -0.550 -3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.169 -1.479 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.293 -1.372 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.341 -2.715 -0.320 1.00 0.00 H new ATOM 284 N ALA A 20 2.212 2.965 -3.279 1.00 0.00 N ATOM 285 CA ALA A 20 3.402 3.809 -3.145 1.00 0.00 C ATOM 286 C ALA A 20 4.696 3.019 -2.875 1.00 0.00 C ATOM 287 O ALA A 20 5.774 3.605 -2.858 1.00 0.00 O ATOM 288 CB ALA A 20 3.160 4.848 -2.047 1.00 0.00 C ATOM 0 H ALA A 20 1.511 3.124 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 20 3.558 4.301 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.042 5.479 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.302 5.465 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.963 4.340 -1.103 1.00 0.00 H new ATOM 294 N TYR A 21 4.614 1.700 -2.671 1.00 0.00 N ATOM 295 CA TYR A 21 5.754 0.815 -2.436 1.00 0.00 C ATOM 296 C TYR A 21 5.769 -0.431 -3.328 1.00 0.00 C ATOM 297 O TYR A 21 6.649 -1.278 -3.150 1.00 0.00 O ATOM 298 CB TYR A 21 5.818 0.458 -0.946 1.00 0.00 C ATOM 299 CG TYR A 21 4.607 -0.277 -0.385 1.00 0.00 C ATOM 300 CD1 TYR A 21 4.540 -1.683 -0.454 1.00 0.00 C ATOM 301 CD2 TYR A 21 3.559 0.442 0.227 1.00 0.00 C ATOM 302 CE1 TYR A 21 3.451 -2.371 0.115 1.00 0.00 C ATOM 303 CE2 TYR A 21 2.463 -0.240 0.791 1.00 0.00 C ATOM 304 CZ TYR A 21 2.414 -1.654 0.751 1.00 0.00 C ATOM 305 OH TYR A 21 1.377 -2.327 1.325 1.00 0.00 O ATOM 0 H TYR A 21 3.722 1.205 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 21 6.655 1.360 -2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.702 -0.157 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.956 1.378 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.327 -2.235 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.597 1.521 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.409 -3.449 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.661 0.316 1.254 1.00 0.00 H new ATOM 0 HH TYR A 21 0.750 -1.686 1.720 1.00 0.00 H new ATOM 315 N GLY A 22 4.877 -0.557 -4.313 1.00 0.00 N ATOM 316 CA GLY A 22 4.917 -1.697 -5.217 1.00 0.00 C ATOM 317 C GLY A 22 3.673 -1.853 -6.088 1.00 0.00 C ATOM 318 O GLY A 22 2.744 -1.055 -5.997 1.00 0.00 O ATOM 0 H GLY A 22 4.128 0.110 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.789 -1.602 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.052 -2.606 -4.631 1.00 0.00 H new ATOM 322 N ALA A 23 3.677 -2.861 -6.957 1.00 0.00 N ATOM 323 CA ALA A 23 2.606 -3.174 -7.898 1.00 0.00 C ATOM 324 C ALA A 23 2.174 -4.620 -7.708 1.00 0.00 C ATOM 325 O ALA A 23 3.016 -5.518 -7.699 1.00 0.00 O ATOM 326 CB ALA A 23 3.112 -2.964 -9.325 1.00 0.00 C ATOM 0 H ALA A 23 4.461 -3.510 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 23 1.753 -2.520 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.315 -3.197 -10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.419 -1.926 -9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.963 -3.619 -9.509 1.00 0.00 H new ATOM 332 N PHE A 24 0.876 -4.853 -7.544 1.00 0.00 N ATOM 333 CA PHE A 24 0.326 -6.198 -7.491 1.00 0.00 C ATOM 334 C PHE A 24 0.272 -6.761 -8.907 1.00 0.00 C ATOM 335 O PHE A 24 -0.053 -6.037 -9.848 1.00 0.00 O ATOM 336 CB PHE A 24 -1.080 -6.162 -6.878 1.00 0.00 C ATOM 337 CG PHE A 24 -1.135 -5.757 -5.421 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.441 -6.506 -4.450 1.00 0.00 C ATOM 339 CD2 PHE A 24 -1.915 -4.652 -5.032 1.00 0.00 C ATOM 340 CE1 PHE A 24 -0.529 -6.148 -3.093 1.00 0.00 C ATOM 341 CE2 PHE A 24 -2.009 -4.301 -3.675 1.00 0.00 C ATOM 342 CZ PHE A 24 -1.319 -5.051 -2.705 1.00 0.00 C ATOM 0 H PHE A 24 0.179 -4.115 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 24 0.956 -6.834 -6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.693 -5.470 -7.455 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.530 -7.149 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.158 -7.354 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.441 -4.074 -5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.010 -6.715 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.611 -3.455 -3.376 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.396 -4.784 -1.661 1.00 0.00 H new ATOM 352 N VAL A 25 0.520 -8.060 -9.057 1.00 0.00 N ATOM 353 CA VAL A 25 0.489 -8.758 -10.337 1.00 0.00 C ATOM 354 C VAL A 25 -0.187 -10.101 -10.087 1.00 0.00 C ATOM 355 O VAL A 25 0.207 -10.849 -9.189 1.00 0.00 O ATOM 356 CB VAL A 25 1.920 -8.909 -10.902 1.00 0.00 C ATOM 357 CG1 VAL A 25 1.894 -9.501 -12.316 1.00 0.00 C ATOM 358 CG2 VAL A 25 2.687 -7.583 -10.973 1.00 0.00 C ATOM 0 H VAL A 25 0.753 -8.669 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.071 -8.202 -11.089 1.00 0.00 H new ATOM 0 HB VAL A 25 2.431 -9.574 -10.206 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.914 -9.596 -12.689 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.424 -10.484 -12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.326 -8.844 -12.975 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.683 -7.760 -11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.151 -6.887 -11.618 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.772 -7.158 -9.973 1.00 0.00 H new ATOM 368 N ALA A 26 -1.271 -10.382 -10.804 1.00 0.00 N ATOM 369 CA ALA A 26 -1.863 -11.712 -10.881 1.00 0.00 C ATOM 370 C ALA A 26 -0.996 -12.559 -11.801 1.00 0.00 C ATOM 371 O ALA A 26 -0.819 -12.198 -12.959 1.00 0.00 O ATOM 372 CB ALA A 26 -3.290 -11.586 -11.411 1.00 0.00 C ATOM 0 H ALA A 26 -1.769 -9.683 -11.355 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.908 -12.189 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.744 -12.575 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.875 -10.960 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.271 -11.132 -12.402 1.00 0.00 H new ATOM 378 N LEU A 27 -0.401 -13.623 -11.273 1.00 0.00 N ATOM 379 CA LEU A 27 0.474 -14.513 -12.037 1.00 0.00 C ATOM 380 C LEU A 27 -0.348 -15.628 -12.690 1.00 0.00 C ATOM 381 O LEU A 27 -0.017 -16.088 -13.773 1.00 0.00 O ATOM 382 CB LEU A 27 1.516 -15.124 -11.088 1.00 0.00 C ATOM 383 CG LEU A 27 2.522 -14.103 -10.518 1.00 0.00 C ATOM 384 CD1 LEU A 27 3.166 -14.665 -9.247 1.00 0.00 C ATOM 385 CD2 LEU A 27 3.616 -13.756 -11.525 1.00 0.00 C ATOM 0 H LEU A 27 -0.511 -13.896 -10.297 1.00 0.00 H new ATOM 0 HA LEU A 27 0.975 -13.945 -12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.998 -15.609 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.065 -15.901 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 27 1.970 -13.191 -10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.876 -13.941 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.393 -14.863 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.688 -15.592 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.302 -13.034 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.163 -14.660 -11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.164 -13.326 -12.419 1.00 0.00 H new ATOM 763 N LEU A 52 5.645 1.708 -14.421 1.00 0.00 N ATOM 764 CA LEU A 52 4.807 0.522 -14.583 1.00 0.00 C ATOM 765 C LEU A 52 3.374 0.991 -14.863 1.00 0.00 C ATOM 766 O LEU A 52 3.047 2.152 -14.628 1.00 0.00 O ATOM 767 CB LEU A 52 4.851 -0.335 -13.303 1.00 0.00 C ATOM 768 CG LEU A 52 5.211 -1.818 -13.534 1.00 0.00 C ATOM 769 CD1 LEU A 52 5.137 -2.572 -12.205 1.00 0.00 C ATOM 770 CD2 LEU A 52 4.285 -2.526 -14.525 1.00 0.00 C ATOM 0 HA LEU A 52 5.169 -0.089 -15.410 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.578 0.099 -12.616 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.879 -0.283 -12.813 1.00 0.00 H new ATOM 0 HG LEU A 52 6.217 -1.824 -13.954 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.391 -3.620 -12.366 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.841 -2.133 -11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.127 -2.502 -11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.598 -3.564 -14.638 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.261 -2.494 -14.153 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.335 -2.025 -15.492 1.00 0.00 H new ATOM 782 N SER A 53 2.495 0.069 -15.254 1.00 0.00 N ATOM 783 CA SER A 53 1.110 0.355 -15.616 1.00 0.00 C ATOM 784 C SER A 53 0.224 -0.772 -15.082 1.00 0.00 C ATOM 785 O SER A 53 0.545 -1.949 -15.240 1.00 0.00 O ATOM 786 CB SER A 53 0.980 0.438 -17.143 1.00 0.00 C ATOM 787 OG SER A 53 1.861 1.409 -17.685 1.00 0.00 O ATOM 0 H SER A 53 2.733 -0.920 -15.329 1.00 0.00 H new ATOM 0 HA SER A 53 0.801 1.307 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.196 -0.536 -17.582 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.047 0.687 -17.409 1.00 0.00 H new ATOM 0 HG SER A 53 1.757 1.438 -18.659 1.00 0.00 H new ATOM 793 N VAL A 54 -0.869 -0.438 -14.394 1.00 0.00 N ATOM 794 CA VAL A 54 -1.931 -1.392 -14.075 1.00 0.00 C ATOM 795 C VAL A 54 -2.657 -1.811 -15.351 1.00 0.00 C ATOM 796 O VAL A 54 -2.727 -1.054 -16.316 1.00 0.00 O ATOM 797 CB VAL A 54 -2.830 -0.796 -12.969 1.00 0.00 C ATOM 798 CG1 VAL A 54 -3.595 0.460 -13.412 1.00 0.00 C ATOM 799 CG2 VAL A 54 -3.805 -1.823 -12.397 1.00 0.00 C ATOM 0 H VAL A 54 -1.043 0.503 -14.042 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.529 -2.318 -13.665 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.138 -0.496 -12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.206 0.824 -12.586 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.885 1.233 -13.707 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.238 0.215 -14.258 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.414 -1.355 -11.624 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.451 -2.194 -13.193 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.247 -2.654 -11.966 1.00 0.00 H new ATOM 809 N GLY A 55 -3.223 -3.020 -15.329 1.00 0.00 N ATOM 810 CA GLY A 55 -4.009 -3.540 -16.431 1.00 0.00 C ATOM 811 C GLY A 55 -3.144 -3.837 -17.654 1.00 0.00 C ATOM 812 O GLY A 55 -3.635 -3.725 -18.771 1.00 0.00 O ATOM 0 H GLY A 55 -3.144 -3.662 -14.540 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.518 -4.451 -16.116 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.781 -2.819 -16.699 1.00 0.00 H new ATOM 816 N ASP A 56 -1.892 -4.235 -17.438 1.00 0.00 N ATOM 817 CA ASP A 56 -0.956 -4.599 -18.508 1.00 0.00 C ATOM 818 C ASP A 56 -0.344 -5.957 -18.173 1.00 0.00 C ATOM 819 O ASP A 56 -0.451 -6.399 -17.022 1.00 0.00 O ATOM 820 CB ASP A 56 0.128 -3.519 -18.637 1.00 0.00 C ATOM 821 CG ASP A 56 1.079 -3.741 -19.828 1.00 0.00 C ATOM 822 OD1 ASP A 56 0.635 -4.336 -20.837 1.00 0.00 O ATOM 823 OD2 ASP A 56 2.239 -3.279 -19.723 1.00 0.00 O ATOM 0 H ASP A 56 -1.491 -4.316 -16.504 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.475 -4.667 -19.464 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.351 -2.546 -18.742 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.712 -3.490 -17.717 1.00 0.00 H new ATOM 828 N GLU A 57 0.234 -6.644 -19.151 1.00 0.00 N ATOM 829 CA GLU A 57 0.863 -7.951 -18.988 1.00 0.00 C ATOM 830 C GLU A 57 2.381 -7.786 -19.057 1.00 0.00 C ATOM 831 O GLU A 57 2.901 -7.088 -19.918 1.00 0.00 O ATOM 832 CB GLU A 57 0.321 -8.896 -20.070 1.00 0.00 C ATOM 833 CG GLU A 57 0.836 -10.334 -19.920 1.00 0.00 C ATOM 834 CD GLU A 57 0.254 -11.275 -20.990 1.00 0.00 C ATOM 835 OE1 GLU A 57 0.842 -11.342 -22.093 1.00 0.00 O ATOM 836 OE2 GLU A 57 -0.768 -11.932 -20.684 1.00 0.00 O ATOM 0 H GLU A 57 0.280 -6.297 -20.109 1.00 0.00 H new ATOM 0 HA GLU A 57 0.627 -8.388 -18.018 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.768 -8.900 -20.030 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.602 -8.515 -21.052 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.924 -10.337 -19.989 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.578 -10.709 -18.930 1.00 0.00 H new ATOM 843 N VAL A 58 3.108 -8.434 -18.146 1.00 0.00 N ATOM 844 CA VAL A 58 4.534 -8.205 -17.910 1.00 0.00 C ATOM 845 C VAL A 58 5.215 -9.516 -17.544 1.00 0.00 C ATOM 846 O VAL A 58 4.652 -10.341 -16.817 1.00 0.00 O ATOM 847 CB VAL A 58 4.732 -7.146 -16.797 1.00 0.00 C ATOM 848 CG1 VAL A 58 4.365 -5.737 -17.275 1.00 0.00 C ATOM 849 CG2 VAL A 58 3.940 -7.432 -15.513 1.00 0.00 C ATOM 0 H VAL A 58 2.712 -9.150 -17.537 1.00 0.00 H new ATOM 0 HA VAL A 58 4.991 -7.823 -18.823 1.00 0.00 H new ATOM 0 HB VAL A 58 5.795 -7.206 -16.563 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.519 -5.026 -16.463 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.996 -5.464 -18.121 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.319 -5.718 -17.581 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.133 -6.645 -14.784 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.875 -7.462 -15.742 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.250 -8.392 -15.101 1.00 0.00 H new ATOM 859 N GLN A 59 6.438 -9.711 -18.041 1.00 0.00 N ATOM 860 CA GLN A 59 7.318 -10.765 -17.566 1.00 0.00 C ATOM 861 C GLN A 59 7.883 -10.314 -16.220 1.00 0.00 C ATOM 862 O GLN A 59 8.338 -9.177 -16.092 1.00 0.00 O ATOM 863 CB GLN A 59 8.462 -11.006 -18.559 1.00 0.00 C ATOM 864 CG GLN A 59 8.065 -11.919 -19.730 1.00 0.00 C ATOM 865 CD GLN A 59 7.006 -11.307 -20.650 1.00 0.00 C ATOM 866 OE1 GLN A 59 7.232 -10.291 -21.288 1.00 0.00 O ATOM 867 NE2 GLN A 59 5.839 -11.922 -20.748 1.00 0.00 N ATOM 0 H GLN A 59 6.840 -9.139 -18.784 1.00 0.00 H new ATOM 0 HA GLN A 59 6.766 -11.700 -17.465 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.801 -10.048 -18.953 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.306 -11.450 -18.031 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.954 -12.151 -20.317 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.689 -12.862 -19.334 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.663 -12.770 -20.210 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.115 -11.548 -21.362 1.00 0.00 H new ATOM 876 N VAL A 60 7.925 -11.214 -15.246 1.00 0.00 N ATOM 877 CA VAL A 60 8.309 -10.941 -13.862 1.00 0.00 C ATOM 878 C VAL A 60 9.251 -12.038 -13.371 1.00 0.00 C ATOM 879 O VAL A 60 9.015 -13.222 -13.621 1.00 0.00 O ATOM 880 CB VAL A 60 7.052 -10.850 -12.967 1.00 0.00 C ATOM 881 CG1 VAL A 60 6.441 -9.446 -12.992 1.00 0.00 C ATOM 882 CG2 VAL A 60 5.939 -11.841 -13.325 1.00 0.00 C ATOM 0 H VAL A 60 7.684 -12.193 -15.402 1.00 0.00 H new ATOM 0 HA VAL A 60 8.828 -9.984 -13.810 1.00 0.00 H new ATOM 0 HB VAL A 60 7.425 -11.103 -11.975 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.560 -9.421 -12.351 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.173 -8.724 -12.630 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.155 -9.192 -14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.098 -11.705 -12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.610 -11.664 -14.349 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.316 -12.860 -13.236 1.00 0.00 H new ATOM 892 N LYS A 61 10.338 -11.662 -12.694 1.00 0.00 N ATOM 893 CA LYS A 61 11.184 -12.622 -11.991 1.00 0.00 C ATOM 894 C LYS A 61 10.586 -12.862 -10.611 1.00 0.00 C ATOM 895 O LYS A 61 10.209 -11.901 -9.943 1.00 0.00 O ATOM 896 CB LYS A 61 12.619 -12.085 -11.913 1.00 0.00 C ATOM 897 CG LYS A 61 13.583 -13.105 -11.287 1.00 0.00 C ATOM 898 CD LYS A 61 15.039 -12.619 -11.325 1.00 0.00 C ATOM 899 CE LYS A 61 15.965 -13.650 -10.671 1.00 0.00 C ATOM 900 NZ LYS A 61 17.384 -13.223 -10.691 1.00 0.00 N ATOM 0 H LYS A 61 10.652 -10.694 -12.619 1.00 0.00 H new ATOM 0 HA LYS A 61 11.225 -13.573 -12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.964 -11.827 -12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.631 -11.167 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.291 -13.294 -10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.503 -14.053 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.345 -12.449 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.124 -11.664 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.652 -13.814 -9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.867 -14.604 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.972 -13.951 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.693 -13.091 -11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.484 -12.326 -10.174 1.00 0.00 H new ATOM 914 N VAL A 62 10.532 -14.117 -10.177 1.00 0.00 N ATOM 915 CA VAL A 62 10.185 -14.496 -8.813 1.00 0.00 C ATOM 916 C VAL A 62 11.355 -14.111 -7.904 1.00 0.00 C ATOM 917 O VAL A 62 12.457 -14.650 -8.042 1.00 0.00 O ATOM 918 CB VAL A 62 9.849 -16.001 -8.751 1.00 0.00 C ATOM 919 CG1 VAL A 62 9.347 -16.372 -7.352 1.00 0.00 C ATOM 920 CG2 VAL A 62 8.755 -16.373 -9.768 1.00 0.00 C ATOM 0 H VAL A 62 10.733 -14.916 -10.778 1.00 0.00 H new ATOM 0 HA VAL A 62 9.294 -13.970 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 62 10.762 -16.548 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.113 -17.436 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.120 -16.148 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.450 -15.796 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.542 -17.440 -9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.849 -15.807 -9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.099 -16.136 -10.775 1.00 0.00 H new ATOM 930 N LEU A 63 11.108 -13.172 -6.993 1.00 0.00 N ATOM 931 CA LEU A 63 12.116 -12.561 -6.128 1.00 0.00 C ATOM 932 C LEU A 63 12.102 -13.176 -4.730 1.00 0.00 C ATOM 933 O LEU A 63 13.147 -13.253 -4.097 1.00 0.00 O ATOM 934 CB LEU A 63 11.830 -11.055 -6.071 1.00 0.00 C ATOM 935 CG LEU A 63 12.870 -10.217 -5.304 1.00 0.00 C ATOM 936 CD1 LEU A 63 14.214 -10.169 -6.039 1.00 0.00 C ATOM 937 CD2 LEU A 63 12.327 -8.795 -5.144 1.00 0.00 C ATOM 0 H LEU A 63 10.171 -12.803 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 63 13.111 -12.742 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.762 -10.676 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.854 -10.904 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 63 13.040 -10.680 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.921 -9.569 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.604 -11.181 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.074 -9.724 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.052 -8.188 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.152 -8.360 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.390 -8.824 -4.588 1.00 0.00 H new ATOM 949 N ALA A 64 10.943 -13.639 -4.260 1.00 0.00 N ATOM 950 CA ALA A 64 10.763 -14.379 -3.010 1.00 0.00 C ATOM 951 C ALA A 64 9.437 -15.132 -3.080 1.00 0.00 C ATOM 952 O ALA A 64 8.572 -14.763 -3.871 1.00 0.00 O ATOM 953 CB ALA A 64 10.748 -13.415 -1.820 1.00 0.00 C ATOM 0 H ALA A 64 10.066 -13.503 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 64 11.587 -15.079 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.613 -13.979 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.692 -12.872 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.927 -12.707 -1.936 1.00 0.00 H new ATOM 959 N VAL A 65 9.243 -16.114 -2.206 1.00 0.00 N ATOM 960 CA VAL A 65 7.968 -16.809 -2.008 1.00 0.00 C ATOM 961 C VAL A 65 7.711 -16.848 -0.495 1.00 0.00 C ATOM 962 O VAL A 65 8.656 -16.973 0.284 1.00 0.00 O ATOM 963 CB VAL A 65 8.030 -18.214 -2.658 1.00 0.00 C ATOM 964 CG1 VAL A 65 6.687 -18.949 -2.535 1.00 0.00 C ATOM 965 CG2 VAL A 65 8.392 -18.156 -4.152 1.00 0.00 C ATOM 0 H VAL A 65 9.985 -16.460 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 65 7.136 -16.296 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 65 8.810 -18.749 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.766 -19.931 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.432 -19.067 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.909 -18.372 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.422 -19.167 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.642 -17.572 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.369 -17.688 -4.272 1.00 0.00 H new ATOM 1068 N ILE A 72 4.019 -13.939 -3.046 1.00 0.00 N ATOM 1069 CA ILE A 72 5.250 -13.964 -3.825 1.00 0.00 C ATOM 1070 C ILE A 72 5.704 -12.513 -3.947 1.00 0.00 C ATOM 1071 O ILE A 72 4.873 -11.612 -4.082 1.00 0.00 O ATOM 1072 CB ILE A 72 4.961 -14.653 -5.187 1.00 0.00 C ATOM 1073 CG1 ILE A 72 4.733 -16.161 -4.969 1.00 0.00 C ATOM 1074 CG2 ILE A 72 6.083 -14.419 -6.209 1.00 0.00 C ATOM 1075 CD1 ILE A 72 4.611 -17.016 -6.239 1.00 0.00 C ATOM 0 HA ILE A 72 6.053 -14.539 -3.363 1.00 0.00 H new ATOM 0 HB ILE A 72 4.059 -14.203 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.558 -16.550 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.825 -16.289 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.834 -14.921 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.194 -13.350 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.019 -14.820 -5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.453 -18.058 -5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.767 -16.666 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.527 -16.931 -6.824 1.00 0.00 H new ATOM 1087 N SER A 73 7.012 -12.276 -3.913 1.00 0.00 N ATOM 1088 CA SER A 73 7.593 -10.990 -4.278 1.00 0.00 C ATOM 1089 C SER A 73 8.158 -11.118 -5.687 1.00 0.00 C ATOM 1090 O SER A 73 8.608 -12.198 -6.073 1.00 0.00 O ATOM 1091 CB SER A 73 8.673 -10.582 -3.272 1.00 0.00 C ATOM 1092 OG SER A 73 8.168 -10.647 -1.949 1.00 0.00 O ATOM 0 H SER A 73 7.700 -12.974 -3.630 1.00 0.00 H new ATOM 0 HA SER A 73 6.835 -10.207 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.537 -11.239 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.016 -9.570 -3.488 1.00 0.00 H new ATOM 0 HG SER A 73 8.870 -10.385 -1.318 1.00 0.00 H new ATOM 1098 N LEU A 74 8.167 -10.036 -6.452 1.00 0.00 N ATOM 1099 CA LEU A 74 8.459 -10.050 -7.884 1.00 0.00 C ATOM 1100 C LEU A 74 9.431 -8.920 -8.225 1.00 0.00 C ATOM 1101 O LEU A 74 9.627 -7.993 -7.437 1.00 0.00 O ATOM 1102 CB LEU A 74 7.145 -9.896 -8.672 1.00 0.00 C ATOM 1103 CG LEU A 74 6.125 -11.037 -8.491 1.00 0.00 C ATOM 1104 CD1 LEU A 74 4.791 -10.671 -9.159 1.00 0.00 C ATOM 1105 CD2 LEU A 74 6.648 -12.354 -9.064 1.00 0.00 C ATOM 0 H LEU A 74 7.968 -9.103 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 74 8.925 -10.997 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.672 -8.959 -8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.385 -9.812 -9.732 1.00 0.00 H new ATOM 0 HG LEU A 74 5.968 -11.172 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.080 -11.486 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.393 -9.763 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.951 -10.503 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.902 -13.136 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.845 -12.234 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.570 -12.632 -8.553 1.00 0.00 H new ATOM 1117 N SER A 75 9.998 -8.966 -9.428 1.00 0.00 N ATOM 1118 CA SER A 75 10.831 -7.902 -9.972 1.00 0.00 C ATOM 1119 C SER A 75 10.515 -7.720 -11.451 1.00 0.00 C ATOM 1120 O SER A 75 10.164 -8.680 -12.142 1.00 0.00 O ATOM 1121 CB SER A 75 12.306 -8.251 -9.727 1.00 0.00 C ATOM 1122 OG SER A 75 13.180 -7.282 -10.290 1.00 0.00 O ATOM 0 H SER A 75 9.888 -9.758 -10.061 1.00 0.00 H new ATOM 0 HA SER A 75 10.626 -6.953 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.488 -8.325 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.524 -9.229 -10.156 1.00 0.00 H new ATOM 0 HG SER A 75 14.109 -7.537 -10.112 1.00 0.00 H new ATOM 1128 N ILE A 76 10.693 -6.484 -11.915 1.00 0.00 N ATOM 1129 CA ILE A 76 10.598 -6.049 -13.305 1.00 0.00 C ATOM 1130 C ILE A 76 11.949 -5.506 -13.758 1.00 0.00 C ATOM 1131 O ILE A 76 12.311 -5.751 -14.898 1.00 0.00 O ATOM 1132 CB ILE A 76 9.474 -4.999 -13.448 1.00 0.00 C ATOM 1133 CG1 ILE A 76 8.075 -5.577 -13.189 1.00 0.00 C ATOM 1134 CG2 ILE A 76 9.492 -4.299 -14.817 1.00 0.00 C ATOM 1135 CD1 ILE A 76 7.592 -6.568 -14.251 1.00 0.00 C ATOM 0 H ILE A 76 10.922 -5.712 -11.289 1.00 0.00 H new ATOM 0 HA ILE A 76 10.343 -6.892 -13.948 1.00 0.00 H new ATOM 0 HB ILE A 76 9.685 -4.260 -12.675 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.075 -6.074 -12.219 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.362 -4.755 -13.126 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.682 -3.571 -14.864 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.446 -3.789 -14.953 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.361 -5.040 -15.606 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.596 -6.926 -13.989 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.556 -6.073 -15.221 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.280 -7.412 -14.300 1.00 0.00 H new ATOM 1147 N ARG A 77 12.759 -4.883 -12.896 1.00 0.00 N ATOM 1148 CA ARG A 77 14.127 -4.511 -13.261 1.00 0.00 C ATOM 1149 C ARG A 77 14.948 -5.722 -13.678 1.00 0.00 C ATOM 1150 O ARG A 77 15.881 -5.576 -14.456 1.00 0.00 O ATOM 1151 CB ARG A 77 14.776 -3.668 -12.160 1.00 0.00 C ATOM 1152 CG ARG A 77 15.223 -4.428 -10.903 1.00 0.00 C ATOM 1153 CD ARG A 77 15.756 -3.461 -9.836 1.00 0.00 C ATOM 1154 NE ARG A 77 17.106 -2.946 -10.128 1.00 0.00 N ATOM 1155 CZ ARG A 77 17.685 -1.962 -9.427 1.00 0.00 C ATOM 1156 NH1 ARG A 77 17.034 -1.265 -8.508 1.00 0.00 N ATOM 1157 NH2 ARG A 77 18.961 -1.674 -9.667 1.00 0.00 N ATOM 0 H ARG A 77 12.492 -4.627 -11.945 1.00 0.00 H new ATOM 0 HA ARG A 77 14.090 -3.875 -14.145 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.644 -3.162 -12.582 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.070 -2.893 -11.860 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.384 -4.995 -10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.998 -5.149 -11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.068 -2.621 -9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.771 -3.969 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 77 17.625 -3.359 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.054 -1.470 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.512 -0.523 -7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.478 -2.198 -10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.422 -0.929 -9.145 1.00 0.00 H new ATOM 1171 N ALA A 78 14.607 -6.907 -13.165 1.00 0.00 N ATOM 1172 CA ALA A 78 15.195 -8.169 -13.581 1.00 0.00 C ATOM 1173 C ALA A 78 14.810 -8.598 -15.004 1.00 0.00 C ATOM 1174 O ALA A 78 15.528 -9.414 -15.570 1.00 0.00 O ATOM 1175 CB ALA A 78 14.769 -9.249 -12.587 1.00 0.00 C ATOM 0 H ALA A 78 13.901 -7.011 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 78 16.276 -8.033 -13.592 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.201 -10.206 -12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.120 -8.984 -11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.682 -9.328 -12.580 1.00 0.00 H new