USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 27 SER OG : rot 180:sc= 0.165 USER MOD Set 1.2: B 13 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 6 CYS SG : rot 171:sc= 0.378 USER MOD Set 2.2: B 9 THR OG1 : rot -54:sc= 0.824 USER MOD Set 3.1: A 39 GLN : amide:sc= 1.39 K(o=2.3,f=-1.7) USER MOD Set 3.2: B 28 LYS NZ :NH3+ -143:sc= 0.916 (180deg=0) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0) USER MOD Set 4.2: B 43 GLN : amide:sc= 0.975 K(o=2.1,f=-7.7!) USER MOD Set 5.1: A 16 ASN : amide:sc= 1.31 K(o=2.6,f=-3.8) USER MOD Set 5.2: A 18 LYS NZ :NH3+ -167:sc= 1.28 (180deg=0.767) USER MOD Set 6.1: A 13 SER OG : rot -110:sc= 1.08 USER MOD Set 6.2: B 27 SER OG : rot 79:sc= 1.01 USER MOD Set 7.1: A 6 CYS SG : rot -154:sc= -1.01 USER MOD Set 7.2: A 9 THR OG1 : rot 180:sc= 0.197 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.631 K(o=0.63,f=-0.0034) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.88 K(o=0.88,f=-0.17) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : B 16 ASN : amide:sc= 0.033 K(o=0.033,f=-1.1) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 GLN : amide:sc= 0.715 K(o=0.71,f=-1.4) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 0.555 K(o=0.56,f=-0.3) USER MOD Single : B 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 45 N MET A 4 0.576 17.173 -8.870 1.00 0.00 N ATOM 46 CA MET A 4 0.378 15.878 -8.201 1.00 0.00 C ATOM 47 C MET A 4 1.161 15.810 -6.881 1.00 0.00 C ATOM 48 O MET A 4 2.352 15.494 -6.851 1.00 0.00 O ATOM 49 CB MET A 4 0.734 14.729 -9.156 1.00 0.00 C ATOM 50 CG MET A 4 -0.486 14.329 -9.985 1.00 0.00 C ATOM 51 SD MET A 4 -0.173 12.945 -11.114 1.00 0.00 S ATOM 52 CE MET A 4 -1.842 12.717 -11.785 1.00 0.00 C ATOM 0 HA MET A 4 -0.675 15.772 -7.940 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.546 15.034 -9.816 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.092 13.871 -8.586 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.300 14.061 -9.312 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.821 15.190 -10.563 1.00 0.00 H new ATOM 0 HE1 MET A 4 -1.836 11.898 -12.504 1.00 0.00 H new ATOM 0 HE2 MET A 4 -2.531 12.483 -10.974 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.163 13.633 -12.281 1.00 0.00 H new ATOM 62 N THR A 5 0.463 16.121 -5.790 1.00 0.00 N ATOM 63 CA THR A 5 0.985 16.230 -4.417 1.00 0.00 C ATOM 64 C THR A 5 0.377 15.187 -3.492 1.00 0.00 C ATOM 65 O THR A 5 -0.757 14.745 -3.691 1.00 0.00 O ATOM 66 CB THR A 5 0.773 17.646 -3.846 1.00 0.00 C ATOM 67 OG1 THR A 5 1.347 17.745 -2.564 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.700 18.052 -3.718 1.00 0.00 C ATOM 0 H THR A 5 -0.537 16.315 -5.836 1.00 0.00 H new ATOM 0 HA THR A 5 2.057 16.039 -4.473 1.00 0.00 H new ATOM 0 HB THR A 5 1.250 18.316 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.208 18.649 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.765 19.060 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.171 18.028 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.213 17.357 -3.053 1.00 0.00 H new ATOM 76 N CYS A 6 1.129 14.804 -2.462 1.00 0.00 N ATOM 77 CA CYS A 6 0.652 13.884 -1.437 1.00 0.00 C ATOM 78 C CYS A 6 -0.466 14.499 -0.579 1.00 0.00 C ATOM 79 O CYS A 6 -0.242 15.484 0.119 1.00 0.00 O ATOM 80 CB CYS A 6 1.828 13.394 -0.580 1.00 0.00 C ATOM 81 SG CYS A 6 1.236 12.109 0.547 1.00 0.00 S ATOM 0 H CYS A 6 2.086 15.124 -2.316 1.00 0.00 H new ATOM 0 HA CYS A 6 0.209 13.022 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.621 13.001 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.254 14.223 -0.016 1.00 0.00 H new ATOM 0 HG CYS A 6 1.996 12.073 1.601 1.00 0.00 H new ATOM 87 N GLN A 7 -1.650 13.881 -0.542 1.00 0.00 N ATOM 88 CA GLN A 7 -2.739 14.335 0.338 1.00 0.00 C ATOM 89 C GLN A 7 -2.472 14.045 1.835 1.00 0.00 C ATOM 90 O GLN A 7 -3.031 14.720 2.702 1.00 0.00 O ATOM 91 CB GLN A 7 -4.054 13.719 -0.175 1.00 0.00 C ATOM 92 CG GLN A 7 -5.321 14.094 0.622 1.00 0.00 C ATOM 93 CD GLN A 7 -5.637 15.591 0.600 1.00 0.00 C ATOM 94 OE1 GLN A 7 -6.379 16.086 -0.236 1.00 0.00 O ATOM 95 NE2 GLN A 7 -5.088 16.367 1.510 1.00 0.00 N ATOM 0 H GLN A 7 -1.882 13.066 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.810 15.422 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.196 14.022 -1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.952 12.634 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.171 13.546 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.198 13.772 1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.467 15.967 2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.284 17.368 1.512 1.00 0.00 H new ATOM 104 N VAL A 8 -1.607 13.072 2.150 1.00 0.00 N ATOM 105 CA VAL A 8 -1.332 12.587 3.523 1.00 0.00 C ATOM 106 C VAL A 8 -0.078 13.221 4.157 1.00 0.00 C ATOM 107 O VAL A 8 0.039 13.270 5.382 1.00 0.00 O ATOM 108 CB VAL A 8 -1.258 11.043 3.505 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.969 10.417 4.872 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.584 10.441 3.009 1.00 0.00 C ATOM 0 H VAL A 8 -1.060 12.582 1.442 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.154 12.904 4.164 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.429 10.815 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.933 9.332 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.011 10.780 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.757 10.693 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.511 9.353 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.393 10.747 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.789 10.795 1.999 1.00 0.00 H new ATOM 120 N THR A 9 0.843 13.745 3.339 1.00 0.00 N ATOM 121 CA THR A 9 2.123 14.346 3.788 1.00 0.00 C ATOM 122 C THR A 9 2.391 15.726 3.191 1.00 0.00 C ATOM 123 O THR A 9 3.009 16.574 3.838 1.00 0.00 O ATOM 124 CB THR A 9 3.330 13.439 3.494 1.00 0.00 C ATOM 125 OG1 THR A 9 3.595 13.396 2.107 1.00 0.00 O ATOM 126 CG2 THR A 9 3.122 11.999 3.959 1.00 0.00 C ATOM 0 H THR A 9 0.725 13.768 2.326 1.00 0.00 H new ATOM 0 HA THR A 9 2.004 14.457 4.866 1.00 0.00 H new ATOM 0 HB THR A 9 4.163 13.875 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.367 12.816 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.008 11.409 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.952 11.985 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.257 11.574 3.450 1.00 0.00 H new ATOM 134 N GLY A 10 1.909 15.963 1.968 1.00 0.00 N ATOM 135 CA GLY A 10 2.100 17.221 1.226 1.00 0.00 C ATOM 136 C GLY A 10 3.308 17.212 0.284 1.00 0.00 C ATOM 137 O GLY A 10 3.613 18.231 -0.337 1.00 0.00 O ATOM 0 H GLY A 10 1.363 15.274 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.201 17.428 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.214 18.038 1.939 1.00 0.00 H new ATOM 141 N GLU A 11 4.013 16.082 0.173 1.00 0.00 N ATOM 142 CA GLU A 11 5.151 15.912 -0.733 1.00 0.00 C ATOM 143 C GLU A 11 4.743 15.590 -2.172 1.00 0.00 C ATOM 144 O GLU A 11 3.835 14.813 -2.438 1.00 0.00 O ATOM 145 CB GLU A 11 6.101 14.834 -0.200 1.00 0.00 C ATOM 146 CG GLU A 11 6.924 15.342 0.986 1.00 0.00 C ATOM 147 CD GLU A 11 7.844 16.538 0.653 1.00 0.00 C ATOM 148 OE1 GLU A 11 8.384 16.617 -0.477 1.00 0.00 O ATOM 149 OE2 GLU A 11 8.034 17.417 1.529 1.00 0.00 O ATOM 0 H GLU A 11 3.805 15.246 0.720 1.00 0.00 H new ATOM 0 HA GLU A 11 5.662 16.874 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.526 13.960 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.771 14.513 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.245 15.633 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.535 14.524 1.367 1.00 0.00 H new ATOM 156 N VAL A 12 5.477 16.159 -3.113 1.00 0.00 N ATOM 157 CA VAL A 12 5.326 15.950 -4.563 1.00 0.00 C ATOM 158 C VAL A 12 6.520 15.133 -5.068 1.00 0.00 C ATOM 159 O VAL A 12 7.669 15.542 -4.878 1.00 0.00 O ATOM 160 CB VAL A 12 5.239 17.324 -5.251 1.00 0.00 C ATOM 161 CG1 VAL A 12 5.510 17.307 -6.764 1.00 0.00 C ATOM 162 CG2 VAL A 12 3.917 18.052 -5.026 1.00 0.00 C ATOM 0 H VAL A 12 6.230 16.809 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 12 4.415 15.397 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 12 6.044 17.866 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.426 18.319 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.515 16.927 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.782 16.663 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.937 19.011 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.098 17.447 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.770 18.219 -3.959 1.00 0.00 H new ATOM 172 N SER A 13 6.263 14.005 -5.736 1.00 0.00 N ATOM 173 CA SER A 13 7.285 13.164 -6.366 1.00 0.00 C ATOM 174 C SER A 13 6.911 12.852 -7.815 1.00 0.00 C ATOM 175 O SER A 13 5.744 12.620 -8.136 1.00 0.00 O ATOM 176 CB SER A 13 7.458 11.868 -5.575 1.00 0.00 C ATOM 177 OG SER A 13 7.832 12.133 -4.234 1.00 0.00 O ATOM 0 H SER A 13 5.317 13.643 -5.857 1.00 0.00 H new ATOM 0 HA SER A 13 8.229 13.709 -6.365 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.527 11.302 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.217 11.247 -6.051 1.00 0.00 H new ATOM 0 HG SER A 13 8.761 11.855 -4.092 1.00 0.00 H new ATOM 183 N ASP A 14 7.912 12.822 -8.691 1.00 0.00 N ATOM 184 CA ASP A 14 7.758 12.711 -10.149 1.00 0.00 C ATOM 185 C ASP A 14 7.018 11.444 -10.614 1.00 0.00 C ATOM 186 O ASP A 14 6.234 11.500 -11.562 1.00 0.00 O ATOM 187 CB ASP A 14 9.137 12.797 -10.838 1.00 0.00 C ATOM 188 CG ASP A 14 10.249 11.874 -10.292 1.00 0.00 C ATOM 189 OD1 ASP A 14 10.030 11.093 -9.334 1.00 0.00 O ATOM 190 OD2 ASP A 14 11.381 11.944 -10.824 1.00 0.00 O ATOM 0 H ASP A 14 8.888 12.876 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 14 7.130 13.551 -10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.002 12.576 -11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.487 13.827 -10.770 1.00 0.00 H new ATOM 195 N ASP A 15 7.208 10.320 -9.922 1.00 0.00 N ATOM 196 CA ASP A 15 6.594 9.025 -10.266 1.00 0.00 C ATOM 197 C ASP A 15 5.236 8.786 -9.564 1.00 0.00 C ATOM 198 O ASP A 15 4.581 7.776 -9.815 1.00 0.00 O ATOM 199 CB ASP A 15 7.604 7.886 -10.051 1.00 0.00 C ATOM 200 CG ASP A 15 7.146 6.571 -10.708 1.00 0.00 C ATOM 201 OD1 ASP A 15 7.101 6.512 -11.961 1.00 0.00 O ATOM 202 OD2 ASP A 15 6.855 5.593 -9.980 1.00 0.00 O ATOM 0 H ASP A 15 7.801 10.277 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 15 6.343 9.046 -11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.571 8.178 -10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.746 7.726 -8.982 1.00 0.00 H new ATOM 207 N ASN A 16 4.789 9.748 -8.740 1.00 0.00 N ATOM 208 CA ASN A 16 3.430 9.890 -8.196 1.00 0.00 C ATOM 209 C ASN A 16 2.746 8.568 -7.759 1.00 0.00 C ATOM 210 O ASN A 16 1.921 8.003 -8.484 1.00 0.00 O ATOM 211 CB ASN A 16 2.589 10.791 -9.137 1.00 0.00 C ATOM 212 CG ASN A 16 2.480 10.342 -10.592 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.509 9.728 -11.009 1.00 0.00 O ATOM 214 ND2 ASN A 16 3.429 10.658 -11.444 1.00 0.00 N ATOM 0 H ASN A 16 5.406 10.493 -8.416 1.00 0.00 H new ATOM 0 HA ASN A 16 3.512 10.398 -7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.582 10.866 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.016 11.794 -9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.344 10.391 -12.425 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.251 11.170 -11.125 1.00 0.00 H new ATOM 221 N LEU A 17 3.064 8.092 -6.546 1.00 0.00 N ATOM 222 CA LEU A 17 2.467 6.903 -5.921 1.00 0.00 C ATOM 223 C LEU A 17 0.976 7.136 -5.632 1.00 0.00 C ATOM 224 O LEU A 17 0.522 8.277 -5.572 1.00 0.00 O ATOM 225 CB LEU A 17 3.236 6.539 -4.625 1.00 0.00 C ATOM 226 CG LEU A 17 4.749 6.356 -4.788 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.346 5.986 -3.432 1.00 0.00 C ATOM 228 CD2 LEU A 17 5.072 5.297 -5.845 1.00 0.00 C ATOM 0 H LEU A 17 3.766 8.538 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 17 2.546 6.064 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.059 7.321 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.817 5.617 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 17 5.190 7.290 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.423 5.853 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.145 6.783 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.897 5.058 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.153 5.192 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.638 4.342 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.655 5.602 -6.805 1.00 0.00 H new ATOM 240 N LYS A 18 0.183 6.068 -5.506 1.00 0.00 N ATOM 241 CA LYS A 18 -1.292 6.169 -5.450 1.00 0.00 C ATOM 242 C LYS A 18 -1.972 5.240 -4.435 1.00 0.00 C ATOM 243 O LYS A 18 -1.462 4.165 -4.116 1.00 0.00 O ATOM 244 CB LYS A 18 -1.903 6.007 -6.852 1.00 0.00 C ATOM 245 CG LYS A 18 -1.283 6.938 -7.898 1.00 0.00 C ATOM 246 CD LYS A 18 -1.998 6.867 -9.251 1.00 0.00 C ATOM 247 CE LYS A 18 -1.330 7.821 -10.249 1.00 0.00 C ATOM 248 NZ LYS A 18 0.065 7.424 -10.571 1.00 0.00 N ATOM 0 H LYS A 18 0.534 5.113 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.494 7.174 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.779 4.974 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.975 6.197 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.313 7.963 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.233 6.678 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.968 5.847 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.049 7.131 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.917 7.850 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.331 8.830 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.542 8.204 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.576 7.208 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.054 6.582 -11.181 1.00 0.00 H new ATOM 262 N LEU A 19 -3.131 5.678 -3.931 1.00 0.00 N ATOM 263 CA LEU A 19 -3.890 5.049 -2.844 1.00 0.00 C ATOM 264 C LEU A 19 -4.567 3.728 -3.242 1.00 0.00 C ATOM 265 O LEU A 19 -4.849 3.470 -4.414 1.00 0.00 O ATOM 266 CB LEU A 19 -4.837 6.118 -2.246 1.00 0.00 C ATOM 267 CG LEU A 19 -5.375 5.843 -0.820 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.441 7.140 -0.014 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.796 5.279 -0.860 1.00 0.00 C ATOM 0 H LEU A 19 -3.586 6.519 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.208 4.718 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.310 7.072 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.689 6.233 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.693 5.126 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.821 6.928 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.443 7.573 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.106 7.845 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.144 5.097 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.458 5.995 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.800 4.343 -1.418 1.00 0.00 H new ATOM 281 N ALA A 20 -4.815 2.875 -2.250 1.00 0.00 N ATOM 282 CA ALA A 20 -5.204 1.476 -2.448 1.00 0.00 C ATOM 283 C ALA A 20 -6.689 1.300 -2.828 1.00 0.00 C ATOM 284 O ALA A 20 -7.558 1.975 -2.273 1.00 0.00 O ATOM 285 CB ALA A 20 -4.822 0.662 -1.204 1.00 0.00 C ATOM 0 H ALA A 20 -4.751 3.140 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.653 1.095 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.110 -0.379 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.745 0.722 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.339 1.064 -0.333 1.00 0.00 H new ATOM 291 N GLY A 21 -6.989 0.392 -3.767 1.00 0.00 N ATOM 292 CA GLY A 21 -8.351 0.177 -4.293 1.00 0.00 C ATOM 293 C GLY A 21 -9.017 -1.093 -3.754 1.00 0.00 C ATOM 294 O GLY A 21 -10.165 -1.058 -3.310 1.00 0.00 O ATOM 0 H GLY A 21 -6.290 -0.220 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.970 1.038 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.308 0.122 -5.381 1.00 0.00 H new ATOM 298 N GLY A 22 -8.270 -2.201 -3.752 1.00 0.00 N ATOM 299 CA GLY A 22 -8.644 -3.488 -3.163 1.00 0.00 C ATOM 300 C GLY A 22 -8.731 -4.613 -4.197 1.00 0.00 C ATOM 301 O GLY A 22 -9.775 -5.252 -4.343 1.00 0.00 O ATOM 0 H GLY A 22 -7.345 -2.225 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.914 -3.758 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.607 -3.387 -2.662 1.00 0.00 H new ATOM 305 N LYS A 23 -7.646 -4.814 -4.957 1.00 0.00 N ATOM 306 CA LYS A 23 -7.645 -5.563 -6.229 1.00 0.00 C ATOM 307 C LYS A 23 -7.426 -7.085 -6.096 1.00 0.00 C ATOM 308 O LYS A 23 -7.959 -7.852 -6.899 1.00 0.00 O ATOM 309 CB LYS A 23 -6.650 -4.854 -7.168 1.00 0.00 C ATOM 310 CG LYS A 23 -6.684 -5.418 -8.593 1.00 0.00 C ATOM 311 CD LYS A 23 -6.024 -4.500 -9.635 1.00 0.00 C ATOM 312 CE LYS A 23 -4.530 -4.281 -9.365 1.00 0.00 C ATOM 313 NZ LYS A 23 -3.911 -3.405 -10.395 1.00 0.00 N ATOM 0 H LYS A 23 -6.725 -4.455 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.646 -5.539 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.879 -3.789 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.642 -4.953 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.182 -6.385 -8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.721 -5.594 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.151 -4.933 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.534 -3.537 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.399 -3.834 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.018 -5.243 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.901 -3.278 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.014 -3.844 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.384 -2.479 -10.393 1.00 0.00 H new ATOM 327 N LEU A 24 -6.689 -7.527 -5.073 1.00 0.00 N ATOM 328 CA LEU A 24 -6.471 -8.933 -4.680 1.00 0.00 C ATOM 329 C LEU A 24 -6.135 -9.011 -3.182 1.00 0.00 C ATOM 330 O LEU A 24 -5.667 -8.018 -2.631 1.00 0.00 O ATOM 331 CB LEU A 24 -5.321 -9.532 -5.517 1.00 0.00 C ATOM 332 CG LEU A 24 -5.165 -11.063 -5.422 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.397 -11.824 -5.917 1.00 0.00 C ATOM 334 CD2 LEU A 24 -3.972 -11.489 -6.273 1.00 0.00 C ATOM 0 H LEU A 24 -6.197 -6.879 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.380 -9.505 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.476 -9.263 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.386 -9.068 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.026 -11.305 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.224 -12.896 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.263 -11.543 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.583 -11.576 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.851 -12.571 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.142 -11.199 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.069 -11.002 -5.904 1.00 0.00 H new ATOM 346 N VAL A 25 -6.330 -10.160 -2.524 1.00 0.00 N ATOM 347 CA VAL A 25 -6.092 -10.322 -1.077 1.00 0.00 C ATOM 348 C VAL A 25 -4.639 -10.668 -0.745 1.00 0.00 C ATOM 349 O VAL A 25 -4.021 -11.554 -1.341 1.00 0.00 O ATOM 350 CB VAL A 25 -7.040 -11.367 -0.457 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.646 -11.746 0.978 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.469 -10.811 -0.412 1.00 0.00 C ATOM 0 H VAL A 25 -6.659 -11.011 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.304 -9.349 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.973 -12.255 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.348 -12.485 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.640 -12.165 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.670 -10.857 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.135 -11.554 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.488 -9.904 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.801 -10.579 -1.424 1.00 0.00 H new ATOM 362 N LEU A 26 -4.123 -9.945 0.248 1.00 0.00 N ATOM 363 CA LEU A 26 -2.814 -10.071 0.878 1.00 0.00 C ATOM 364 C LEU A 26 -2.956 -10.083 2.413 1.00 0.00 C ATOM 365 O LEU A 26 -3.948 -9.611 2.965 1.00 0.00 O ATOM 366 CB LEU A 26 -1.868 -8.967 0.367 1.00 0.00 C ATOM 367 CG LEU A 26 -1.327 -9.227 -1.060 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.254 -8.744 -2.181 1.00 0.00 C ATOM 369 CD2 LEU A 26 -0.019 -8.479 -1.283 1.00 0.00 C ATOM 0 H LEU A 26 -4.662 -9.188 0.669 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.363 -11.024 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.396 -8.014 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.027 -8.874 1.054 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.221 -10.311 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.801 -8.964 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.214 -9.255 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.407 -7.669 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.345 -8.675 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.186 -7.409 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.722 -8.817 -0.558 1.00 0.00 H new ATOM 381 N SER A 27 -1.975 -10.637 3.127 1.00 0.00 N ATOM 382 CA SER A 27 -1.850 -10.484 4.586 1.00 0.00 C ATOM 383 C SER A 27 -0.890 -9.341 4.915 1.00 0.00 C ATOM 384 O SER A 27 -0.429 -8.639 4.013 1.00 0.00 O ATOM 385 CB SER A 27 -1.389 -11.805 5.205 1.00 0.00 C ATOM 386 OG SER A 27 -1.620 -11.789 6.603 1.00 0.00 O ATOM 0 H SER A 27 -1.239 -11.208 2.712 1.00 0.00 H new ATOM 0 HA SER A 27 -2.821 -10.232 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.925 -12.637 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.329 -11.960 5.005 1.00 0.00 H new ATOM 0 HG SER A 27 -1.324 -12.638 6.993 1.00 0.00 H new ATOM 392 N LYS A 28 -0.555 -9.160 6.195 1.00 0.00 N ATOM 393 CA LYS A 28 0.330 -8.101 6.722 1.00 0.00 C ATOM 394 C LYS A 28 1.632 -7.994 5.917 1.00 0.00 C ATOM 395 O LYS A 28 2.042 -6.904 5.494 1.00 0.00 O ATOM 396 CB LYS A 28 0.600 -8.408 8.214 1.00 0.00 C ATOM 397 CG LYS A 28 0.575 -7.150 9.091 1.00 0.00 C ATOM 398 CD LYS A 28 0.982 -7.465 10.537 1.00 0.00 C ATOM 399 CE LYS A 28 0.858 -6.217 11.421 1.00 0.00 C ATOM 400 NZ LYS A 28 1.304 -6.495 12.812 1.00 0.00 N ATOM 0 H LYS A 28 -0.906 -9.772 6.931 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.157 -7.130 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.148 -9.114 8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.571 -8.894 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.251 -6.402 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.425 -6.717 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.351 -8.261 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.008 -7.832 10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.456 -5.409 10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.177 -5.876 11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.950 -5.750 13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.931 -7.416 13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.343 -6.514 12.846 1.00 0.00 H new ATOM 414 N GLU A 29 2.228 -9.156 5.640 1.00 0.00 N ATOM 415 CA GLU A 29 3.524 -9.229 4.959 1.00 0.00 C ATOM 416 C GLU A 29 3.378 -9.056 3.442 1.00 0.00 C ATOM 417 O GLU A 29 4.229 -8.440 2.796 1.00 0.00 O ATOM 418 CB GLU A 29 4.279 -10.516 5.311 1.00 0.00 C ATOM 419 CG GLU A 29 4.723 -10.533 6.784 1.00 0.00 C ATOM 420 CD GLU A 29 5.609 -11.744 7.161 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.158 -12.442 6.272 1.00 0.00 O ATOM 422 OE2 GLU A 29 5.824 -11.969 8.380 1.00 0.00 O ATOM 0 H GLU A 29 1.831 -10.065 5.878 1.00 0.00 H new ATOM 0 HA GLU A 29 4.124 -8.395 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.641 -11.377 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.153 -10.613 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.270 -9.615 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.838 -10.532 7.420 1.00 0.00 H new ATOM 429 N GLY A 30 2.260 -9.512 2.865 1.00 0.00 N ATOM 430 CA GLY A 30 1.936 -9.208 1.485 1.00 0.00 C ATOM 431 C GLY A 30 1.739 -7.707 1.275 1.00 0.00 C ATOM 432 O GLY A 30 2.368 -7.139 0.387 1.00 0.00 O ATOM 0 H GLY A 30 1.570 -10.093 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.734 -9.566 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.029 -9.739 1.197 1.00 0.00 H new ATOM 436 N ALA A 31 0.938 -7.034 2.112 1.00 0.00 N ATOM 437 CA ALA A 31 0.698 -5.598 1.982 1.00 0.00 C ATOM 438 C ALA A 31 2.017 -4.820 2.090 1.00 0.00 C ATOM 439 O ALA A 31 2.311 -3.956 1.250 1.00 0.00 O ATOM 440 CB ALA A 31 -0.319 -5.131 3.038 1.00 0.00 C ATOM 0 H ALA A 31 0.444 -7.469 2.891 1.00 0.00 H new ATOM 0 HA ALA A 31 0.276 -5.398 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.489 -4.060 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.260 -5.664 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.070 -5.338 4.035 1.00 0.00 H new ATOM 446 N GLU A 32 2.852 -5.167 3.083 1.00 0.00 N ATOM 447 CA GLU A 32 4.148 -4.473 3.176 1.00 0.00 C ATOM 448 C GLU A 32 5.064 -4.778 1.969 1.00 0.00 C ATOM 449 O GLU A 32 5.822 -3.907 1.535 1.00 0.00 O ATOM 450 CB GLU A 32 4.859 -4.658 4.514 1.00 0.00 C ATOM 451 CG GLU A 32 5.643 -5.959 4.643 1.00 0.00 C ATOM 452 CD GLU A 32 6.367 -6.053 6.002 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.691 -6.169 7.053 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.621 -6.008 6.027 1.00 0.00 O ATOM 0 H GLU A 32 2.672 -5.878 3.792 1.00 0.00 H new ATOM 0 HA GLU A 32 3.908 -3.411 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.541 -3.822 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.119 -4.615 5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.965 -6.805 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.373 -6.026 3.836 1.00 0.00 H new ATOM 461 N GLN A 33 4.974 -5.981 1.377 1.00 0.00 N ATOM 462 CA GLN A 33 5.690 -6.286 0.135 1.00 0.00 C ATOM 463 C GLN A 33 5.194 -5.444 -1.046 1.00 0.00 C ATOM 464 O GLN A 33 6.022 -4.972 -1.826 1.00 0.00 O ATOM 465 CB GLN A 33 5.656 -7.793 -0.177 1.00 0.00 C ATOM 466 CG GLN A 33 6.576 -8.182 -1.351 1.00 0.00 C ATOM 467 CD GLN A 33 8.057 -7.891 -1.091 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.599 -8.160 -0.026 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.786 -7.343 -2.041 1.00 0.00 N ATOM 0 H GLN A 33 4.414 -6.753 1.740 1.00 0.00 H new ATOM 0 HA GLN A 33 6.732 -6.009 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.954 -8.350 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.633 -8.088 -0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.454 -9.245 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.260 -7.643 -2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.362 -7.108 -2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.775 -7.153 -1.880 1.00 0.00 H new ATOM 478 N ILE A 34 3.889 -5.152 -1.145 1.00 0.00 N ATOM 479 CA ILE A 34 3.406 -4.188 -2.152 1.00 0.00 C ATOM 480 C ILE A 34 4.055 -2.835 -1.893 1.00 0.00 C ATOM 481 O ILE A 34 4.545 -2.222 -2.832 1.00 0.00 O ATOM 482 CB ILE A 34 1.884 -3.981 -2.194 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.122 -5.305 -2.321 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.561 -3.079 -3.411 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.377 -5.107 -2.058 1.00 0.00 C ATOM 0 H ILE A 34 3.161 -5.557 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 34 3.682 -4.619 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 34 1.567 -3.519 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.268 -5.718 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.526 -6.030 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.485 -2.914 -3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.069 -2.121 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.901 -3.566 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.893 -6.062 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.521 -4.717 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.783 -4.400 -2.782 1.00 0.00 H new ATOM 497 N ILE A 35 4.111 -2.369 -0.643 1.00 0.00 N ATOM 498 CA ILE A 35 4.799 -1.095 -0.366 1.00 0.00 C ATOM 499 C ILE A 35 6.283 -1.109 -0.720 1.00 0.00 C ATOM 500 O ILE A 35 6.803 -0.090 -1.171 1.00 0.00 O ATOM 501 CB ILE A 35 4.499 -0.579 1.046 1.00 0.00 C ATOM 502 CG1 ILE A 35 3.694 0.731 0.921 1.00 0.00 C ATOM 503 CG2 ILE A 35 5.715 -0.395 1.979 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.505 1.916 0.400 1.00 0.00 C ATOM 0 H ILE A 35 3.706 -2.831 0.171 1.00 0.00 H new ATOM 0 HA ILE A 35 4.375 -0.361 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 35 3.926 -1.364 1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.848 0.563 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.284 0.987 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.378 -0.026 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.221 -1.352 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.406 0.323 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.866 2.797 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.336 2.114 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.893 1.683 -0.592 1.00 0.00 H new ATOM 516 N SER A 36 6.941 -2.259 -0.606 1.00 0.00 N ATOM 517 CA SER A 36 8.290 -2.428 -1.140 1.00 0.00 C ATOM 518 C SER A 36 8.294 -2.234 -2.663 1.00 0.00 C ATOM 519 O SER A 36 9.114 -1.465 -3.160 1.00 0.00 O ATOM 520 CB SER A 36 8.875 -3.784 -0.732 1.00 0.00 C ATOM 521 OG SER A 36 10.274 -3.798 -0.963 1.00 0.00 O ATOM 0 H SER A 36 6.562 -3.088 -0.149 1.00 0.00 H new ATOM 0 HA SER A 36 8.934 -1.660 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.670 -3.976 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.396 -4.582 -1.300 1.00 0.00 H new ATOM 0 HG SER A 36 10.641 -4.667 -0.698 1.00 0.00 H new ATOM 527 N GLU A 37 7.328 -2.797 -3.407 1.00 0.00 N ATOM 528 CA GLU A 37 7.204 -2.541 -4.855 1.00 0.00 C ATOM 529 C GLU A 37 6.874 -1.066 -5.167 1.00 0.00 C ATOM 530 O GLU A 37 7.507 -0.461 -6.033 1.00 0.00 O ATOM 531 CB GLU A 37 6.151 -3.443 -5.531 1.00 0.00 C ATOM 532 CG GLU A 37 6.251 -4.956 -5.279 1.00 0.00 C ATOM 533 CD GLU A 37 7.666 -5.542 -5.442 1.00 0.00 C ATOM 534 OE1 GLU A 37 8.363 -5.206 -6.431 1.00 0.00 O ATOM 535 OE2 GLU A 37 8.071 -6.379 -4.598 1.00 0.00 O ATOM 0 H GLU A 37 6.622 -3.431 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 37 8.185 -2.779 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.165 -3.112 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.205 -3.276 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.899 -5.167 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.578 -5.470 -5.965 1.00 0.00 H new ATOM 542 N ILE A 38 5.922 -0.457 -4.449 1.00 0.00 N ATOM 543 CA ILE A 38 5.491 0.931 -4.659 1.00 0.00 C ATOM 544 C ILE A 38 6.656 1.908 -4.413 1.00 0.00 C ATOM 545 O ILE A 38 7.070 2.657 -5.306 1.00 0.00 O ATOM 546 CB ILE A 38 4.249 1.181 -3.766 1.00 0.00 C ATOM 547 CG1 ILE A 38 2.997 0.515 -4.384 1.00 0.00 C ATOM 548 CG2 ILE A 38 3.998 2.658 -3.522 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.753 0.531 -3.478 1.00 0.00 C ATOM 0 H ILE A 38 5.421 -0.923 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 38 5.198 1.107 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 38 4.455 0.727 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.756 1.021 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.236 -0.519 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.117 2.778 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.863 3.097 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.833 3.161 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.923 0.044 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.970 -0.001 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.483 1.562 -3.249 1.00 0.00 H new ATOM 561 N GLN A 39 7.262 1.853 -3.225 1.00 0.00 N ATOM 562 CA GLN A 39 8.395 2.713 -2.900 1.00 0.00 C ATOM 563 C GLN A 39 9.592 2.435 -3.823 1.00 0.00 C ATOM 564 O GLN A 39 10.277 3.372 -4.234 1.00 0.00 O ATOM 565 CB GLN A 39 8.800 2.546 -1.436 1.00 0.00 C ATOM 566 CG GLN A 39 7.866 3.235 -0.422 1.00 0.00 C ATOM 567 CD GLN A 39 8.604 3.721 0.825 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.678 3.272 1.198 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.085 4.720 1.492 1.00 0.00 N ATOM 0 H GLN A 39 6.985 1.221 -2.474 1.00 0.00 H new ATOM 0 HA GLN A 39 8.081 3.745 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.842 1.482 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.808 2.940 -1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.377 4.082 -0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.081 2.539 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.190 5.115 1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.576 5.103 2.300 1.00 0.00 H new ATOM 578 N ASN A 40 9.790 1.181 -4.241 1.00 0.00 N ATOM 579 CA ASN A 40 10.780 0.851 -5.269 1.00 0.00 C ATOM 580 C ASN A 40 10.484 1.543 -6.612 1.00 0.00 C ATOM 581 O ASN A 40 11.425 2.033 -7.227 1.00 0.00 O ATOM 582 CB ASN A 40 10.912 -0.669 -5.420 1.00 0.00 C ATOM 583 CG ASN A 40 11.927 -1.056 -6.484 1.00 0.00 C ATOM 584 OD1 ASN A 40 13.123 -0.850 -6.340 1.00 0.00 O ATOM 585 ND2 ASN A 40 11.488 -1.619 -7.589 1.00 0.00 N ATOM 0 H ASN A 40 9.276 0.376 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 40 11.743 1.241 -4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.207 -1.103 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.941 -1.092 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.145 -1.883 -8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.490 -1.792 -7.712 1.00 0.00 H new ATOM 592 N GLN A 41 9.227 1.683 -7.057 1.00 0.00 N ATOM 593 CA GLN A 41 8.920 2.460 -8.265 1.00 0.00 C ATOM 594 C GLN A 41 9.223 3.956 -8.066 1.00 0.00 C ATOM 595 O GLN A 41 9.821 4.575 -8.952 1.00 0.00 O ATOM 596 CB GLN A 41 7.462 2.218 -8.681 1.00 0.00 C ATOM 597 CG GLN A 41 7.209 0.771 -9.142 1.00 0.00 C ATOM 598 CD GLN A 41 7.667 0.458 -10.568 1.00 0.00 C ATOM 599 OE1 GLN A 41 8.317 1.236 -11.256 1.00 0.00 O ATOM 600 NE2 GLN A 41 7.354 -0.717 -11.074 1.00 0.00 N ATOM 0 H GLN A 41 8.412 1.271 -6.602 1.00 0.00 H new ATOM 0 HA GLN A 41 9.566 2.121 -9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.806 2.448 -7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.200 2.903 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.717 0.093 -8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.142 0.562 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.814 -1.383 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.652 -0.961 -12.018 1.00 0.00 H new ATOM 609 N LEU A 42 8.949 4.514 -6.874 1.00 0.00 N ATOM 610 CA LEU A 42 9.352 5.903 -6.550 1.00 0.00 C ATOM 611 C LEU A 42 10.888 6.088 -6.467 1.00 0.00 C ATOM 612 O LEU A 42 11.394 7.165 -6.781 1.00 0.00 O ATOM 613 CB LEU A 42 8.612 6.358 -5.271 1.00 0.00 C ATOM 614 CG LEU A 42 8.264 7.854 -5.089 1.00 0.00 C ATOM 615 CD1 LEU A 42 9.472 8.741 -4.793 1.00 0.00 C ATOM 616 CD2 LEU A 42 7.486 8.419 -6.277 1.00 0.00 C ATOM 0 H LEU A 42 8.455 4.034 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 42 9.053 6.553 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.680 5.796 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.219 6.057 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 42 7.626 7.875 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.145 9.775 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.951 8.408 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.183 8.674 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.266 9.472 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.083 8.320 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.553 7.868 -6.396 1.00 0.00 H new ATOM 746 N MET B 4 -9.653 -16.806 1.633 1.00 0.00 N ATOM 747 CA MET B 4 -8.877 -15.573 1.448 1.00 0.00 C ATOM 748 C MET B 4 -7.470 -15.703 2.042 1.00 0.00 C ATOM 749 O MET B 4 -7.280 -15.640 3.255 1.00 0.00 O ATOM 750 CB MET B 4 -9.634 -14.377 2.048 1.00 0.00 C ATOM 751 CG MET B 4 -10.621 -13.816 1.021 1.00 0.00 C ATOM 752 SD MET B 4 -11.579 -12.399 1.622 1.00 0.00 S ATOM 753 CE MET B 4 -12.558 -12.051 0.136 1.00 0.00 C ATOM 0 HA MET B 4 -8.755 -15.400 0.379 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.168 -14.687 2.946 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.928 -13.602 2.348 1.00 0.00 H new ATOM 0 HG2 MET B 4 -10.071 -13.518 0.128 1.00 0.00 H new ATOM 0 HG3 MET B 4 -11.309 -14.607 0.723 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.213 -11.200 0.323 1.00 0.00 H new ATOM 0 HE2 MET B 4 -11.890 -11.820 -0.694 1.00 0.00 H new ATOM 0 HE3 MET B 4 -13.160 -12.924 -0.115 1.00 0.00 H new ATOM 763 N THR B 5 -6.476 -15.857 1.168 1.00 0.00 N ATOM 764 CA THR B 5 -5.052 -15.971 1.505 1.00 0.00 C ATOM 765 C THR B 5 -4.201 -15.051 0.630 1.00 0.00 C ATOM 766 O THR B 5 -4.578 -14.718 -0.496 1.00 0.00 O ATOM 767 CB THR B 5 -4.594 -17.433 1.395 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.316 -17.569 1.968 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.531 -17.963 -0.041 1.00 0.00 C ATOM 0 H THR B 5 -6.645 -15.908 0.163 1.00 0.00 H new ATOM 0 HA THR B 5 -4.916 -15.649 2.537 1.00 0.00 H new ATOM 0 HB THR B 5 -5.345 -18.020 1.924 1.00 0.00 H new ATOM 0 HG1 THR B 5 -3.024 -18.502 1.899 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.199 -19.001 -0.031 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.520 -17.902 -0.495 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.829 -17.363 -0.620 1.00 0.00 H new ATOM 777 N CYS B 6 -3.045 -14.640 1.143 1.00 0.00 N ATOM 778 CA CYS B 6 -2.075 -13.818 0.436 1.00 0.00 C ATOM 779 C CYS B 6 -1.506 -14.528 -0.801 1.00 0.00 C ATOM 780 O CYS B 6 -0.894 -15.583 -0.671 1.00 0.00 O ATOM 781 CB CYS B 6 -0.979 -13.416 1.433 1.00 0.00 C ATOM 782 SG CYS B 6 0.131 -12.235 0.632 1.00 0.00 S ATOM 0 H CYS B 6 -2.751 -14.878 2.090 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.563 -12.923 0.050 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.423 -12.972 2.324 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.423 -14.296 1.758 1.00 0.00 H new ATOM 0 HG CYS B 6 0.947 -11.739 1.514 1.00 0.00 H new ATOM 788 N GLN B 7 -1.620 -13.939 -1.997 1.00 0.00 N ATOM 789 CA GLN B 7 -0.981 -14.516 -3.197 1.00 0.00 C ATOM 790 C GLN B 7 0.534 -14.196 -3.297 1.00 0.00 C ATOM 791 O GLN B 7 1.260 -14.853 -4.044 1.00 0.00 O ATOM 792 CB GLN B 7 -1.791 -14.137 -4.450 1.00 0.00 C ATOM 793 CG GLN B 7 -1.433 -15.019 -5.661 1.00 0.00 C ATOM 794 CD GLN B 7 -2.339 -14.774 -6.865 1.00 0.00 C ATOM 795 OE1 GLN B 7 -3.423 -15.332 -6.989 1.00 0.00 O ATOM 796 NE2 GLN B 7 -1.941 -13.935 -7.799 1.00 0.00 N ATOM 0 H GLN B 7 -2.139 -13.077 -2.164 1.00 0.00 H new ATOM 0 HA GLN B 7 -1.004 -15.602 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.855 -14.232 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.608 -13.091 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -0.398 -14.831 -5.947 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -1.498 -16.068 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -1.041 -13.463 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -2.532 -13.758 -8.611 1.00 0.00 H new ATOM 805 N VAL B 8 1.034 -13.228 -2.517 1.00 0.00 N ATOM 806 CA VAL B 8 2.455 -12.800 -2.499 1.00 0.00 C ATOM 807 C VAL B 8 3.291 -13.532 -1.429 1.00 0.00 C ATOM 808 O VAL B 8 4.502 -13.685 -1.593 1.00 0.00 O ATOM 809 CB VAL B 8 2.533 -11.264 -2.344 1.00 0.00 C ATOM 810 CG1 VAL B 8 3.964 -10.713 -2.320 1.00 0.00 C ATOM 811 CG2 VAL B 8 1.807 -10.568 -3.505 1.00 0.00 C ATOM 0 H VAL B 8 0.454 -12.703 -1.862 1.00 0.00 H new ATOM 0 HA VAL B 8 2.900 -13.082 -3.453 1.00 0.00 H new ATOM 0 HB VAL B 8 2.064 -11.057 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.935 -9.629 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.508 -11.149 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.468 -10.969 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.872 -9.487 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.273 -10.852 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.760 -10.870 -3.512 1.00 0.00 H new ATOM 821 N THR B 9 2.654 -14.023 -0.357 1.00 0.00 N ATOM 822 CA THR B 9 3.321 -14.697 0.785 1.00 0.00 C ATOM 823 C THR B 9 2.700 -16.050 1.138 1.00 0.00 C ATOM 824 O THR B 9 3.416 -16.980 1.515 1.00 0.00 O ATOM 825 CB THR B 9 3.338 -13.819 2.048 1.00 0.00 C ATOM 826 OG1 THR B 9 2.040 -13.694 2.592 1.00 0.00 O ATOM 827 CG2 THR B 9 3.852 -12.405 1.787 1.00 0.00 C ATOM 0 H THR B 9 1.641 -13.966 -0.249 1.00 0.00 H new ATOM 0 HA THR B 9 4.342 -14.867 0.443 1.00 0.00 H new ATOM 0 HB THR B 9 4.013 -14.324 2.739 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.424 -13.376 1.899 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.839 -11.836 2.717 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.872 -12.453 1.405 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.212 -11.915 1.053 1.00 0.00 H new ATOM 835 N GLY B 10 1.376 -16.168 0.998 1.00 0.00 N ATOM 836 CA GLY B 10 0.612 -17.372 1.366 1.00 0.00 C ATOM 837 C GLY B 10 0.047 -17.347 2.791 1.00 0.00 C ATOM 838 O GLY B 10 -0.464 -18.362 3.268 1.00 0.00 O ATOM 0 H GLY B 10 0.793 -15.421 0.621 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.212 -17.495 0.663 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.256 -18.245 1.258 1.00 0.00 H new ATOM 842 N GLU B 11 0.143 -16.211 3.489 1.00 0.00 N ATOM 843 CA GLU B 11 -0.460 -16.003 4.810 1.00 0.00 C ATOM 844 C GLU B 11 -1.957 -15.654 4.723 1.00 0.00 C ATOM 845 O GLU B 11 -2.387 -14.900 3.850 1.00 0.00 O ATOM 846 CB GLU B 11 0.306 -14.915 5.573 1.00 0.00 C ATOM 847 CG GLU B 11 1.719 -15.356 5.977 1.00 0.00 C ATOM 848 CD GLU B 11 2.320 -14.390 7.017 1.00 0.00 C ATOM 849 OE1 GLU B 11 2.350 -13.162 6.768 1.00 0.00 O ATOM 850 OE2 GLU B 11 2.757 -14.862 8.097 1.00 0.00 O ATOM 0 H GLU B 11 0.651 -15.396 3.146 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.387 -16.944 5.355 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.373 -14.021 4.953 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.254 -14.642 6.467 1.00 0.00 H new ATOM 0 HG2 GLU B 11 1.686 -16.365 6.388 1.00 0.00 H new ATOM 0 HG3 GLU B 11 2.359 -15.392 5.095 1.00 0.00 H new ATOM 857 N VAL B 12 -2.750 -16.166 5.665 1.00 0.00 N ATOM 858 CA VAL B 12 -4.198 -15.916 5.799 1.00 0.00 C ATOM 859 C VAL B 12 -4.519 -15.202 7.119 1.00 0.00 C ATOM 860 O VAL B 12 -4.151 -15.674 8.197 1.00 0.00 O ATOM 861 CB VAL B 12 -5.030 -17.209 5.600 1.00 0.00 C ATOM 862 CG1 VAL B 12 -4.447 -18.451 6.293 1.00 0.00 C ATOM 863 CG2 VAL B 12 -6.485 -17.067 6.071 1.00 0.00 C ATOM 0 H VAL B 12 -2.394 -16.792 6.387 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.493 -15.241 4.995 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.992 -17.353 4.520 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.091 -19.310 6.103 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.450 -18.651 5.902 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.387 -18.274 7.367 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.014 -18.005 5.905 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.501 -16.824 7.133 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.973 -16.271 5.509 1.00 0.00 H new ATOM 873 N SER B 13 -5.249 -14.086 7.026 1.00 0.00 N ATOM 874 CA SER B 13 -5.939 -13.423 8.143 1.00 0.00 C ATOM 875 C SER B 13 -7.340 -12.999 7.696 1.00 0.00 C ATOM 876 O SER B 13 -7.508 -12.533 6.569 1.00 0.00 O ATOM 877 CB SER B 13 -5.171 -12.181 8.610 1.00 0.00 C ATOM 878 OG SER B 13 -3.949 -12.533 9.235 1.00 0.00 O ATOM 0 H SER B 13 -5.382 -13.600 6.139 1.00 0.00 H new ATOM 0 HA SER B 13 -6.000 -14.129 8.971 1.00 0.00 H new ATOM 0 HB2 SER B 13 -4.971 -11.533 7.757 1.00 0.00 H new ATOM 0 HB3 SER B 13 -5.787 -11.611 9.306 1.00 0.00 H new ATOM 0 HG SER B 13 -3.481 -11.720 9.520 1.00 0.00 H new ATOM 884 N ASP B 14 -8.350 -13.118 8.562 1.00 0.00 N ATOM 885 CA ASP B 14 -9.730 -12.717 8.239 1.00 0.00 C ATOM 886 C ASP B 14 -9.894 -11.184 8.186 1.00 0.00 C ATOM 887 O ASP B 14 -10.718 -10.675 7.422 1.00 0.00 O ATOM 888 CB ASP B 14 -10.739 -13.365 9.203 1.00 0.00 C ATOM 889 CG ASP B 14 -10.426 -13.156 10.694 1.00 0.00 C ATOM 890 OD1 ASP B 14 -9.378 -13.641 11.181 1.00 0.00 O ATOM 891 OD2 ASP B 14 -11.247 -12.515 11.391 1.00 0.00 O ATOM 0 H ASP B 14 -8.239 -13.493 9.504 1.00 0.00 H new ATOM 0 HA ASP B 14 -9.946 -13.088 7.237 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -11.731 -12.964 8.994 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -10.779 -14.435 9.000 1.00 0.00 H new ATOM 896 N ASP B 15 -9.016 -10.436 8.864 1.00 0.00 N ATOM 897 CA ASP B 15 -8.829 -8.981 8.763 1.00 0.00 C ATOM 898 C ASP B 15 -8.048 -8.590 7.481 1.00 0.00 C ATOM 899 O ASP B 15 -7.117 -7.782 7.494 1.00 0.00 O ATOM 900 CB ASP B 15 -8.169 -8.460 10.051 1.00 0.00 C ATOM 901 CG ASP B 15 -8.768 -9.049 11.333 1.00 0.00 C ATOM 902 OD1 ASP B 15 -9.859 -8.604 11.762 1.00 0.00 O ATOM 903 OD2 ASP B 15 -8.166 -9.984 11.913 1.00 0.00 O ATOM 0 H ASP B 15 -8.377 -10.855 9.540 1.00 0.00 H new ATOM 0 HA ASP B 15 -9.802 -8.499 8.667 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.104 -8.688 10.020 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.262 -7.374 10.083 1.00 0.00 H new ATOM 908 N ASN B 16 -8.388 -9.266 6.383 1.00 0.00 N ATOM 909 CA ASN B 16 -7.666 -9.355 5.116 1.00 0.00 C ATOM 910 C ASN B 16 -7.338 -7.996 4.462 1.00 0.00 C ATOM 911 O ASN B 16 -8.209 -7.141 4.284 1.00 0.00 O ATOM 912 CB ASN B 16 -8.462 -10.275 4.167 1.00 0.00 C ATOM 913 CG ASN B 16 -9.819 -9.730 3.732 1.00 0.00 C ATOM 914 OD1 ASN B 16 -9.976 -9.214 2.636 1.00 0.00 O ATOM 915 ND2 ASN B 16 -10.849 -9.832 4.548 1.00 0.00 N ATOM 0 H ASN B 16 -9.249 -9.811 6.357 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.685 -9.780 5.327 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -7.860 -10.463 3.278 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -8.613 -11.236 4.659 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -11.763 -9.482 4.261 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -10.732 -10.261 5.466 1.00 0.00 H new ATOM 922 N LEU B 17 -6.072 -7.823 4.066 1.00 0.00 N ATOM 923 CA LEU B 17 -5.548 -6.661 3.343 1.00 0.00 C ATOM 924 C LEU B 17 -5.709 -6.845 1.833 1.00 0.00 C ATOM 925 O LEU B 17 -5.835 -7.973 1.352 1.00 0.00 O ATOM 926 CB LEU B 17 -4.082 -6.395 3.764 1.00 0.00 C ATOM 927 CG LEU B 17 -3.904 -6.326 5.288 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.448 -6.074 5.664 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.813 -5.257 5.887 1.00 0.00 C ATOM 0 H LEU B 17 -5.352 -8.522 4.250 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.126 -5.776 3.608 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.445 -7.184 3.364 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.746 -5.458 3.321 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.190 -7.292 5.703 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.355 -6.030 6.749 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.827 -6.883 5.279 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.119 -5.128 5.233 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.672 -5.223 6.967 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.564 -4.286 5.458 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.853 -5.497 5.664 1.00 0.00 H new ATOM 941 N LYS B 18 -5.748 -5.746 1.073 1.00 0.00 N ATOM 942 CA LYS B 18 -5.994 -5.798 -0.379 1.00 0.00 C ATOM 943 C LYS B 18 -5.105 -4.861 -1.213 1.00 0.00 C ATOM 944 O LYS B 18 -4.672 -3.808 -0.747 1.00 0.00 O ATOM 945 CB LYS B 18 -7.489 -5.613 -0.689 1.00 0.00 C ATOM 946 CG LYS B 18 -8.415 -6.650 -0.037 1.00 0.00 C ATOM 947 CD LYS B 18 -9.857 -6.491 -0.538 1.00 0.00 C ATOM 948 CE LYS B 18 -10.776 -7.483 0.185 1.00 0.00 C ATOM 949 NZ LYS B 18 -12.188 -7.351 -0.259 1.00 0.00 N ATOM 0 H LYS B 18 -5.612 -4.803 1.438 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.697 -6.798 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.793 -4.619 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.629 -5.650 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -8.057 -7.655 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.388 -6.537 1.047 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.201 -5.471 -0.364 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -9.898 -6.662 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.430 -8.500 -0.000 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.716 -7.317 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.778 -8.038 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.526 -6.388 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.249 -7.535 -1.281 1.00 0.00 H new ATOM 963 N LEU B 19 -4.840 -5.283 -2.453 1.00 0.00 N ATOM 964 CA LEU B 19 -3.882 -4.687 -3.398 1.00 0.00 C ATOM 965 C LEU B 19 -4.331 -3.331 -3.968 1.00 0.00 C ATOM 966 O LEU B 19 -5.513 -2.982 -3.944 1.00 0.00 O ATOM 967 CB LEU B 19 -3.528 -5.761 -4.457 1.00 0.00 C ATOM 968 CG LEU B 19 -2.225 -5.534 -5.262 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.438 -6.835 -5.412 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.524 -5.037 -6.673 1.00 0.00 C ATOM 0 H LEU B 19 -5.313 -6.095 -2.850 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.969 -4.410 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.455 -6.725 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.357 -5.831 -5.162 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.649 -4.793 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.528 -6.646 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.176 -7.218 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -2.048 -7.571 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.588 -4.887 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -3.131 -5.775 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -3.066 -4.093 -6.619 1.00 0.00 H new ATOM 982 N ALA B 20 -3.374 -2.552 -4.472 1.00 0.00 N ATOM 983 CA ALA B 20 -3.567 -1.150 -4.853 1.00 0.00 C ATOM 984 C ALA B 20 -4.277 -0.970 -6.212 1.00 0.00 C ATOM 985 O ALA B 20 -4.292 -1.882 -7.041 1.00 0.00 O ATOM 986 CB ALA B 20 -2.213 -0.426 -4.801 1.00 0.00 C ATOM 0 H ALA B 20 -2.423 -2.883 -4.631 1.00 0.00 H new ATOM 0 HA ALA B 20 -4.247 -0.697 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.348 0.618 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.810 -0.479 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.519 -0.902 -5.493 1.00 0.00 H new ATOM 992 N GLY B 21 -4.866 0.211 -6.449 1.00 0.00 N ATOM 993 CA GLY B 21 -5.591 0.519 -7.699 1.00 0.00 C ATOM 994 C GLY B 21 -5.429 1.971 -8.172 1.00 0.00 C ATOM 995 O GLY B 21 -5.390 2.228 -9.376 1.00 0.00 O ATOM 0 H GLY B 21 -4.855 0.982 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -5.240 -0.150 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -6.651 0.311 -7.553 1.00 0.00 H new ATOM 999 N GLY B 22 -5.250 2.906 -7.233 1.00 0.00 N ATOM 1000 CA GLY B 22 -4.788 4.272 -7.478 1.00 0.00 C ATOM 1001 C GLY B 22 -5.880 5.338 -7.367 1.00 0.00 C ATOM 1002 O GLY B 22 -6.208 5.994 -8.357 1.00 0.00 O ATOM 0 H GLY B 22 -5.430 2.723 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -3.994 4.507 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.349 4.321 -8.475 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.448 5.514 -6.163 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.606 6.407 -5.933 1.00 0.00 C ATOM 1008 C LYS B 23 -7.257 7.898 -5.784 1.00 0.00 C ATOM 1009 O LYS B 23 -8.053 8.754 -6.172 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.449 5.916 -4.741 1.00 0.00 C ATOM 1011 CG LYS B 23 -8.922 4.458 -4.901 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.109 4.100 -3.990 1.00 0.00 C ATOM 1013 CE LYS B 23 -9.818 4.334 -2.502 1.00 0.00 C ATOM 1014 NZ LYS B 23 -10.941 3.872 -1.646 1.00 0.00 N ATOM 0 H LYS B 23 -6.121 5.044 -5.319 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.196 6.347 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.862 6.004 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.318 6.564 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.206 4.287 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.091 3.788 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.975 4.693 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.373 3.054 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -8.906 3.807 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.640 5.395 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.710 4.046 -0.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.806 4.392 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.094 2.854 -1.794 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.080 8.208 -5.233 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.537 9.564 -5.027 1.00 0.00 C ATOM 1030 C LEU B 24 -4.000 9.511 -4.954 1.00 0.00 C ATOM 1031 O LEU B 24 -3.453 8.446 -4.671 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.149 10.163 -3.741 1.00 0.00 C ATOM 1033 CG LEU B 24 -5.914 11.672 -3.524 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.432 12.535 -4.679 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.642 12.111 -2.256 1.00 0.00 C ATOM 0 H LEU B 24 -5.442 7.485 -4.899 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.803 10.206 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.223 9.980 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.744 9.625 -2.884 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.836 11.814 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.236 13.586 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.924 12.252 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.505 12.382 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.481 13.177 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.709 11.917 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.256 11.553 -1.403 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.300 10.625 -5.201 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.827 10.680 -5.255 1.00 0.00 C ATOM 1049 C VAL B 25 -1.186 10.939 -3.886 1.00 0.00 C ATOM 1050 O VAL B 25 -1.618 11.783 -3.099 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.322 11.709 -6.285 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.208 11.851 -6.263 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.719 11.291 -7.705 1.00 0.00 C ATOM 0 H VAL B 25 -3.743 11.528 -5.372 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.513 9.688 -5.579 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.780 12.659 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.516 12.587 -7.006 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.529 12.178 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.666 10.889 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.353 12.030 -8.418 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.282 10.319 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.805 11.226 -7.775 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.126 10.174 -3.637 1.00 0.00 N ATOM 1064 CA LEU B 26 0.782 10.205 -2.497 1.00 0.00 C ATOM 1065 C LEU B 26 2.246 10.222 -2.976 1.00 0.00 C ATOM 1066 O LEU B 26 2.564 9.813 -4.092 1.00 0.00 O ATOM 1067 CB LEU B 26 0.467 9.037 -1.541 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.811 9.271 -0.703 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.106 8.831 -1.397 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.775 8.473 0.592 1.00 0.00 C ATOM 0 H LEU B 26 0.144 9.444 -4.296 1.00 0.00 H new ATOM 0 HA LEU B 26 0.634 11.125 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.352 8.121 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.312 8.886 -0.870 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.818 10.349 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.955 9.029 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.227 9.386 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.058 7.764 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.687 8.659 1.159 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.700 7.410 0.362 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.088 8.778 1.183 1.00 0.00 H new ATOM 1082 N SER B 27 3.166 10.703 -2.141 1.00 0.00 N ATOM 1083 CA SER B 27 4.616 10.539 -2.329 1.00 0.00 C ATOM 1084 C SER B 27 5.067 9.239 -1.649 1.00 0.00 C ATOM 1085 O SER B 27 4.248 8.512 -1.081 1.00 0.00 O ATOM 1086 CB SER B 27 5.306 11.784 -1.749 1.00 0.00 C ATOM 1087 OG SER B 27 6.718 11.713 -1.768 1.00 0.00 O ATOM 0 H SER B 27 2.926 11.227 -1.299 1.00 0.00 H new ATOM 0 HA SER B 27 4.886 10.456 -3.382 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.988 12.661 -2.313 1.00 0.00 H new ATOM 0 HB3 SER B 27 4.972 11.928 -0.721 1.00 0.00 H new ATOM 0 HG SER B 27 7.044 11.918 -2.669 1.00 0.00 H new ATOM 1093 N LYS B 28 6.375 8.962 -1.642 1.00 0.00 N ATOM 1094 CA LYS B 28 7.023 7.837 -0.943 1.00 0.00 C ATOM 1095 C LYS B 28 6.528 7.717 0.502 1.00 0.00 C ATOM 1096 O LYS B 28 6.084 6.647 0.943 1.00 0.00 O ATOM 1097 CB LYS B 28 8.542 8.088 -1.025 1.00 0.00 C ATOM 1098 CG LYS B 28 9.384 6.910 -0.524 1.00 0.00 C ATOM 1099 CD LYS B 28 10.883 7.143 -0.758 1.00 0.00 C ATOM 1100 CE LYS B 28 11.710 5.863 -0.576 1.00 0.00 C ATOM 1101 NZ LYS B 28 11.697 5.331 0.814 1.00 0.00 N ATOM 0 H LYS B 28 7.046 9.541 -2.146 1.00 0.00 H new ATOM 0 HA LYS B 28 6.773 6.885 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.811 8.303 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.788 8.975 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.201 6.758 0.540 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.074 5.998 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.035 7.530 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.242 7.905 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.330 5.097 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.741 6.063 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.633 4.942 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.467 6.098 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.981 4.580 0.892 1.00 0.00 H new ATOM 1115 N GLU B 29 6.517 8.855 1.198 1.00 0.00 N ATOM 1116 CA GLU B 29 6.163 8.911 2.616 1.00 0.00 C ATOM 1117 C GLU B 29 4.656 8.716 2.819 1.00 0.00 C ATOM 1118 O GLU B 29 4.231 8.025 3.746 1.00 0.00 O ATOM 1119 CB GLU B 29 6.655 10.218 3.248 1.00 0.00 C ATOM 1120 CG GLU B 29 8.187 10.313 3.262 1.00 0.00 C ATOM 1121 CD GLU B 29 8.665 11.560 4.032 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.714 11.522 5.287 1.00 0.00 O ATOM 1123 OE2 GLU B 29 9.011 12.582 3.391 1.00 0.00 O ATOM 0 H GLU B 29 6.753 9.762 0.795 1.00 0.00 H new ATOM 0 HA GLU B 29 6.666 8.088 3.125 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.245 11.064 2.696 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.279 10.291 4.268 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.605 9.417 3.722 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.560 10.350 2.239 1.00 0.00 H new ATOM 1130 N GLY B 30 3.829 9.241 1.909 1.00 0.00 N ATOM 1131 CA GLY B 30 2.405 8.978 1.920 1.00 0.00 C ATOM 1132 C GLY B 30 2.085 7.503 1.668 1.00 0.00 C ATOM 1133 O GLY B 30 1.297 6.931 2.416 1.00 0.00 O ATOM 0 H GLY B 30 4.135 9.854 1.154 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.990 9.278 2.882 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.919 9.588 1.159 1.00 0.00 H new ATOM 1137 N ALA B 31 2.717 6.849 0.685 1.00 0.00 N ATOM 1138 CA ALA B 31 2.439 5.444 0.385 1.00 0.00 C ATOM 1139 C ALA B 31 2.800 4.561 1.594 1.00 0.00 C ATOM 1140 O ALA B 31 2.019 3.696 2.012 1.00 0.00 O ATOM 1141 CB ALA B 31 3.181 5.037 -0.902 1.00 0.00 C ATOM 0 H ALA B 31 3.424 7.273 0.085 1.00 0.00 H new ATOM 0 HA ALA B 31 1.374 5.300 0.203 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.974 3.990 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.841 5.659 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.253 5.173 -0.762 1.00 0.00 H new ATOM 1147 N GLU B 32 3.955 4.825 2.223 1.00 0.00 N ATOM 1148 CA GLU B 32 4.270 4.082 3.461 1.00 0.00 C ATOM 1149 C GLU B 32 3.329 4.433 4.634 1.00 0.00 C ATOM 1150 O GLU B 32 3.044 3.578 5.482 1.00 0.00 O ATOM 1151 CB GLU B 32 5.733 4.178 3.869 1.00 0.00 C ATOM 1152 CG GLU B 32 6.140 5.547 4.401 1.00 0.00 C ATOM 1153 CD GLU B 32 7.598 5.548 4.901 1.00 0.00 C ATOM 1154 OE1 GLU B 32 8.528 5.683 4.068 1.00 0.00 O ATOM 1155 OE2 GLU B 32 7.822 5.414 6.128 1.00 0.00 O ATOM 0 H GLU B 32 4.653 5.505 1.922 1.00 0.00 H new ATOM 0 HA GLU B 32 4.087 3.037 3.211 1.00 0.00 H new ATOM 0 HB2 GLU B 32 5.936 3.428 4.633 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.356 3.934 3.009 1.00 0.00 H new ATOM 0 HG2 GLU B 32 6.023 6.293 3.615 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.475 5.835 5.215 1.00 0.00 H new ATOM 1162 N GLN B 33 2.796 5.666 4.683 1.00 0.00 N ATOM 1163 CA GLN B 33 1.769 6.007 5.669 1.00 0.00 C ATOM 1164 C GLN B 33 0.494 5.178 5.437 1.00 0.00 C ATOM 1165 O GLN B 33 -0.081 4.661 6.396 1.00 0.00 O ATOM 1166 CB GLN B 33 1.490 7.522 5.699 1.00 0.00 C ATOM 1167 CG GLN B 33 0.994 8.028 7.067 1.00 0.00 C ATOM 1168 CD GLN B 33 -0.385 7.513 7.490 1.00 0.00 C ATOM 1169 OE1 GLN B 33 -1.353 7.548 6.743 1.00 0.00 O ATOM 1170 NE2 GLN B 33 -0.529 7.038 8.710 1.00 0.00 N ATOM 0 H GLN B 33 3.058 6.429 4.059 1.00 0.00 H new ATOM 0 HA GLN B 33 2.148 5.747 6.658 1.00 0.00 H new ATOM 0 HB2 GLN B 33 2.401 8.057 5.431 1.00 0.00 H new ATOM 0 HB3 GLN B 33 0.745 7.761 4.940 1.00 0.00 H new ATOM 0 HG2 GLN B 33 1.720 7.742 7.828 1.00 0.00 H new ATOM 0 HG3 GLN B 33 0.967 9.117 7.046 1.00 0.00 H new ATOM 0 HE21 GLN B 33 0.271 7.004 9.342 1.00 0.00 H new ATOM 0 HE22 GLN B 33 -1.441 6.704 9.023 1.00 0.00 H new ATOM 1179 N ILE B 34 0.115 4.925 4.177 1.00 0.00 N ATOM 1180 CA ILE B 34 -0.957 3.963 3.879 1.00 0.00 C ATOM 1181 C ILE B 34 -0.570 2.577 4.393 1.00 0.00 C ATOM 1182 O ILE B 34 -1.421 1.928 4.987 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.356 3.879 2.396 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.764 5.258 1.856 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.544 2.896 2.302 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -1.889 5.253 0.327 1.00 0.00 C ATOM 0 H ILE B 34 0.528 5.367 3.356 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.839 4.338 4.398 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.513 3.535 1.796 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.715 5.555 2.298 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -1.026 6.001 2.159 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.861 2.806 1.263 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.238 1.918 2.674 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.373 3.269 2.903 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.179 6.246 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -0.931 4.981 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.646 4.529 0.026 1.00 0.00 H new ATOM 1198 N ILE B 35 0.680 2.116 4.242 1.00 0.00 N ATOM 1199 CA ILE B 35 1.069 0.830 4.867 1.00 0.00 C ATOM 1200 C ILE B 35 0.826 0.792 6.367 1.00 0.00 C ATOM 1201 O ILE B 35 0.359 -0.220 6.887 1.00 0.00 O ATOM 1202 CB ILE B 35 2.520 0.406 4.566 1.00 0.00 C ATOM 1203 CG1 ILE B 35 2.467 -0.885 3.731 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.477 0.161 5.753 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.825 -2.111 4.384 1.00 0.00 C ATOM 0 H ILE B 35 1.417 2.586 3.716 1.00 0.00 H new ATOM 0 HA ILE B 35 0.406 0.105 4.395 1.00 0.00 H new ATOM 0 HB ILE B 35 2.947 1.273 4.061 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.926 -0.670 2.810 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.486 -1.147 3.448 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.457 -0.130 5.376 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.570 1.075 6.340 1.00 0.00 H new ATOM 0 HG23 ILE B 35 3.080 -0.635 6.382 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.853 -2.950 3.689 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.374 -2.371 5.289 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.790 -1.886 4.640 1.00 0.00 H new ATOM 1217 N SER B 36 1.110 1.896 7.044 1.00 0.00 N ATOM 1218 CA SER B 36 0.853 2.012 8.476 1.00 0.00 C ATOM 1219 C SER B 36 -0.650 1.892 8.751 1.00 0.00 C ATOM 1220 O SER B 36 -1.038 1.106 9.615 1.00 0.00 O ATOM 1221 CB SER B 36 1.444 3.314 9.018 1.00 0.00 C ATOM 1222 OG SER B 36 2.862 3.269 8.990 1.00 0.00 O ATOM 0 H SER B 36 1.521 2.729 6.623 1.00 0.00 H new ATOM 0 HA SER B 36 1.346 1.195 9.003 1.00 0.00 H new ATOM 0 HB2 SER B 36 1.090 4.156 8.423 1.00 0.00 H new ATOM 0 HB3 SER B 36 1.100 3.478 10.039 1.00 0.00 H new ATOM 0 HG SER B 36 3.223 4.111 9.339 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.512 2.544 7.955 1.00 0.00 N ATOM 1229 CA GLU B 37 -2.968 2.363 8.066 1.00 0.00 C ATOM 1230 C GLU B 37 -3.393 0.916 7.757 1.00 0.00 C ATOM 1231 O GLU B 37 -4.111 0.304 8.543 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.736 3.334 7.149 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.489 4.824 7.424 1.00 0.00 C ATOM 1234 CD GLU B 37 -3.812 5.238 8.872 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -4.981 5.090 9.306 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -2.901 5.733 9.579 1.00 0.00 O ATOM 0 H GLU B 37 -1.226 3.200 7.228 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.224 2.585 9.102 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.466 3.122 6.114 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.803 3.135 7.247 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.446 5.058 7.211 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.095 5.418 6.740 1.00 0.00 H new ATOM 1243 N ILE B 38 -2.920 0.332 6.652 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.284 -1.017 6.196 1.00 0.00 C ATOM 1245 C ILE B 38 -2.893 -2.085 7.232 1.00 0.00 C ATOM 1246 O ILE B 38 -3.743 -2.823 7.745 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.659 -1.223 4.791 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.535 -0.504 3.737 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.464 -2.683 4.417 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.053 -0.634 2.283 1.00 0.00 C ATOM 0 H ILE B 38 -2.256 0.795 6.032 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.365 -1.126 6.103 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.659 -0.791 4.817 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.550 -0.897 3.803 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.586 0.554 3.992 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.023 -2.748 3.422 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.801 -3.158 5.140 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.428 -3.191 4.420 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.734 -0.096 1.624 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.052 -0.212 2.192 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.030 -1.686 2.000 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.621 -2.119 7.629 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.147 -3.060 8.641 1.00 0.00 C ATOM 1264 C GLN B 39 -1.836 -2.820 9.994 1.00 0.00 C ATOM 1265 O GLN B 39 -2.130 -3.782 10.708 1.00 0.00 O ATOM 1266 CB GLN B 39 0.376 -2.972 8.782 1.00 0.00 C ATOM 1267 CG GLN B 39 1.165 -3.650 7.642 1.00 0.00 C ATOM 1268 CD GLN B 39 2.588 -4.034 8.055 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.236 -3.406 8.883 1.00 0.00 O ATOM 1270 NE2 GLN B 39 3.119 -5.096 7.492 1.00 0.00 N ATOM 0 H GLN B 39 -0.897 -1.501 7.262 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.407 -4.066 8.313 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.663 -1.922 8.831 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.667 -3.427 9.729 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.632 -4.544 7.318 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.209 -2.977 6.786 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.588 -5.626 6.801 1.00 0.00 H new ATOM 0 HE22 GLN B 39 4.062 -5.390 7.746 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.181 -1.568 10.317 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.025 -1.260 11.479 1.00 0.00 C ATOM 1281 C ASN B 40 -4.483 -1.758 11.340 1.00 0.00 C ATOM 1282 O ASN B 40 -5.067 -2.140 12.353 1.00 0.00 O ATOM 1283 CB ASN B 40 -2.959 0.245 11.780 1.00 0.00 C ATOM 1284 CG ASN B 40 -3.757 0.637 13.013 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -4.811 1.251 12.933 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -3.296 0.281 14.193 1.00 0.00 N ATOM 0 H ASN B 40 -1.887 -0.747 9.787 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.623 -1.815 12.327 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -1.918 0.537 11.919 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.334 0.799 10.919 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -3.818 0.517 15.037 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -2.417 -0.231 14.264 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.071 -1.846 10.137 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.383 -2.472 9.949 1.00 0.00 C ATOM 1295 C GLN B 41 -6.297 -3.980 10.182 1.00 0.00 C ATOM 1296 O GLN B 41 -7.155 -4.526 10.876 1.00 0.00 O ATOM 1297 CB GLN B 41 -6.985 -2.178 8.564 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.358 -0.698 8.391 1.00 0.00 C ATOM 1299 CD GLN B 41 -8.257 -0.415 7.186 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -8.582 -1.270 6.371 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -8.698 0.814 7.018 1.00 0.00 N ATOM 0 H GLN B 41 -4.654 -1.489 9.278 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.052 -2.032 10.689 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.270 -2.463 7.792 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.873 -2.793 8.418 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -7.861 -0.354 9.294 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.443 -0.113 8.293 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.441 1.543 7.683 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.297 1.037 6.223 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.239 -4.654 9.708 1.00 0.00 N ATOM 1311 CA LEU B 42 -5.074 -6.079 10.059 1.00 0.00 C ATOM 1312 C LEU B 42 -4.877 -6.288 11.571 1.00 0.00 C ATOM 1313 O LEU B 42 -5.448 -7.212 12.151 1.00 0.00 O ATOM 1314 CB LEU B 42 -3.964 -6.717 9.217 1.00 0.00 C ATOM 1315 CG LEU B 42 -3.898 -8.262 9.338 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.461 -8.882 8.014 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -2.891 -8.707 10.401 1.00 0.00 C ATOM 0 H LEU B 42 -4.513 -4.262 9.108 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.002 -6.596 9.814 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -4.115 -6.450 8.171 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.005 -6.297 9.518 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.898 -8.594 9.617 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.420 -9.966 8.116 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.176 -8.618 7.235 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.474 -8.505 7.744 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.875 -9.796 10.454 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -1.898 -8.342 10.137 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.181 -8.301 11.370 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.104 -5.412 12.216 1.00 0.00 N ATOM 1330 CA GLN B 43 -3.762 -5.522 13.638 1.00 0.00 C ATOM 1331 C GLN B 43 -4.914 -5.136 14.591 1.00 0.00 C ATOM 1332 O GLN B 43 -5.013 -5.710 15.678 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.503 -4.673 13.884 1.00 0.00 C ATOM 1334 CG GLN B 43 -1.857 -4.916 15.255 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.510 -4.205 15.361 1.00 0.00 C ATOM 1336 OE1 GLN B 43 0.480 -4.615 14.767 1.00 0.00 O ATOM 1337 NE2 GLN B 43 -0.414 -3.111 16.087 1.00 0.00 N ATOM 0 H GLN B 43 -3.693 -4.597 11.762 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.570 -6.570 13.868 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -1.772 -4.887 13.104 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -2.763 -3.618 13.796 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -2.522 -4.561 16.042 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -1.720 -5.986 15.412 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -1.230 -2.758 16.587 1.00 0.00 H new ATOM 0 HE22 GLN B 43 0.476 -2.617 16.149 1.00 0.00 H new