USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 88:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.867 K(o=-0.87,f=-5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.988 X(o=-0.99,f=-0.54) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.37) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.6!) USER MOD Single : B 12 THR OG1 : rot -17:sc= 0.704 USER MOD Single : B 13 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.52) USER MOD Single : B 14 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.8!) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0221) USER MOD Single : B 23 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : B 24 ASN : amide:sc= -3.68 K(o=-3.7,f=-9.2!) USER MOD Single : B 29 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.46) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -0.136 25.705 5.285 1.00 0.00 C HETATM 2 O ACE A 2 -1.296 26.108 5.217 1.00 0.00 O HETATM 3 CH3 ACE A 2 1.030 26.678 5.420 1.00 0.00 C HETATM 0 H1 ACE A 2 1.570 26.473 6.344 1.00 0.00 H new HETATM 0 H2 ACE A 2 1.704 26.558 4.572 1.00 0.00 H new HETATM 0 H3 ACE A 2 0.651 27.700 5.441 1.00 0.00 H new ATOM 7 N CYS A 3 0.188 24.414 5.247 1.00 0.00 N ATOM 8 CA CYS A 3 -0.840 23.384 5.120 1.00 0.00 C ATOM 9 C CYS A 3 -0.472 22.160 5.950 1.00 0.00 C ATOM 10 O CYS A 3 -0.783 21.027 5.585 1.00 0.00 O ATOM 11 CB CYS A 3 -1.000 22.966 3.656 1.00 0.00 C ATOM 12 SG CYS A 3 -1.491 24.400 2.669 1.00 0.00 S ATOM 0 H CYS A 3 1.143 24.059 5.302 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.780 23.799 5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.063 22.556 3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.749 22.179 3.571 1.00 0.00 H new ATOM 17 N GLY A 4 0.196 22.403 7.075 1.00 0.00 N ATOM 18 CA GLY A 4 0.604 21.313 7.958 1.00 0.00 C ATOM 19 C GLY A 4 1.763 20.531 7.350 1.00 0.00 C ATOM 20 O GLY A 4 2.416 20.990 6.411 1.00 0.00 O ATOM 0 H GLY A 4 0.464 23.334 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.899 21.715 8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.239 20.645 8.133 1.00 0.00 H new ATOM 24 N GLY A 5 2.012 19.344 7.895 1.00 0.00 N ATOM 25 CA GLY A 5 3.098 18.502 7.401 1.00 0.00 C ATOM 26 C GLY A 5 2.642 17.683 6.197 1.00 0.00 C ATOM 27 O GLY A 5 2.552 16.458 6.259 1.00 0.00 O ATOM 0 H GLY A 5 1.483 18.946 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.949 19.124 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.437 17.835 8.194 1.00 0.00 H new ATOM 31 N VAL A 6 2.355 18.378 5.100 1.00 0.00 N ATOM 32 CA VAL A 6 1.907 17.709 3.881 1.00 0.00 C ATOM 33 C VAL A 6 3.089 17.033 3.183 1.00 0.00 C ATOM 34 O VAL A 6 2.940 15.986 2.553 1.00 0.00 O ATOM 35 CB VAL A 6 1.240 18.719 2.932 1.00 0.00 C ATOM 36 CG1 VAL A 6 2.248 19.793 2.512 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.716 17.994 1.685 1.00 0.00 C ATOM 0 H VAL A 6 2.423 19.393 5.029 1.00 0.00 H new ATOM 0 HA VAL A 6 1.176 16.947 4.151 1.00 0.00 H new ATOM 0 HB VAL A 6 0.408 19.193 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.765 20.503 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.609 20.318 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.088 19.323 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.245 18.714 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.546 17.510 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.015 17.242 1.982 1.00 0.00 H new ATOM 47 N GLN A 7 4.263 17.646 3.305 1.00 0.00 N ATOM 48 CA GLN A 7 5.465 17.100 2.683 1.00 0.00 C ATOM 49 C GLN A 7 5.874 15.799 3.366 1.00 0.00 C ATOM 50 O GLN A 7 6.116 14.785 2.711 1.00 0.00 O ATOM 51 CB GLN A 7 6.620 18.098 2.779 1.00 0.00 C ATOM 52 CG GLN A 7 6.397 19.237 1.783 1.00 0.00 C ATOM 53 CD GLN A 7 7.698 20.008 1.590 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.576 19.579 0.840 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.878 21.131 2.228 1.00 0.00 N ATOM 0 H GLN A 7 4.407 18.512 3.823 1.00 0.00 H new ATOM 0 HA GLN A 7 5.241 16.906 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.688 18.495 3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.565 17.597 2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.054 18.837 0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.617 19.905 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.151 21.487 2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.745 21.654 2.106 1.00 0.00 H new ATOM 64 N ALA A 8 5.946 15.840 4.694 1.00 0.00 N ATOM 65 CA ALA A 8 6.325 14.657 5.463 1.00 0.00 C ATOM 66 C ALA A 8 5.286 13.554 5.291 1.00 0.00 C ATOM 67 O ALA A 8 5.622 12.375 5.180 1.00 0.00 O ATOM 68 CB ALA A 8 6.444 15.001 6.949 1.00 0.00 C ATOM 0 H ALA A 8 5.750 16.669 5.255 1.00 0.00 H new ATOM 0 HA ALA A 8 7.289 14.309 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.727 14.109 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.204 15.770 7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.486 15.369 7.315 1.00 0.00 H new ATOM 74 N GLU A 9 4.016 13.953 5.270 1.00 0.00 N ATOM 75 CA GLU A 9 2.930 12.991 5.110 1.00 0.00 C ATOM 76 C GLU A 9 2.964 12.375 3.715 1.00 0.00 C ATOM 77 O GLU A 9 2.833 11.163 3.553 1.00 0.00 O ATOM 78 CB GLU A 9 1.577 13.673 5.321 1.00 0.00 C ATOM 79 CG GLU A 9 0.491 12.610 5.495 1.00 0.00 C ATOM 80 CD GLU A 9 0.308 12.307 6.978 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.286 13.125 7.661 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.765 11.260 7.410 1.00 0.00 O ATOM 0 H GLU A 9 3.717 14.924 5.361 1.00 0.00 H new ATOM 0 HA GLU A 9 3.062 12.207 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.615 14.316 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.343 14.311 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.448 12.961 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.767 11.702 4.959 1.00 0.00 H new ATOM 89 N GLU A 10 3.142 13.228 2.710 1.00 0.00 N ATOM 90 CA GLU A 10 3.193 12.758 1.327 1.00 0.00 C ATOM 91 C GLU A 10 4.405 11.856 1.115 1.00 0.00 C ATOM 92 O GLU A 10 4.312 10.809 0.473 1.00 0.00 O ATOM 93 CB GLU A 10 3.279 13.943 0.362 1.00 0.00 C ATOM 94 CG GLU A 10 3.021 13.458 -1.066 1.00 0.00 C ATOM 95 CD GLU A 10 3.585 14.470 -2.057 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.479 15.656 -1.788 1.00 0.00 O ATOM 97 OE2 GLU A 10 4.116 14.045 -3.070 1.00 0.00 O ATOM 0 H GLU A 10 3.252 14.236 2.823 1.00 0.00 H new ATOM 0 HA GLU A 10 2.281 12.194 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.548 14.703 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.263 14.408 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.486 12.484 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.951 13.330 -1.230 1.00 0.00 H new ATOM 104 N GLN A 11 5.542 12.274 1.661 1.00 0.00 N ATOM 105 CA GLN A 11 6.772 11.498 1.528 1.00 0.00 C ATOM 106 C GLN A 11 6.607 10.124 2.171 1.00 0.00 C ATOM 107 O GLN A 11 7.187 9.136 1.718 1.00 0.00 O ATOM 108 CB GLN A 11 7.939 12.224 2.200 1.00 0.00 C ATOM 109 CG GLN A 11 9.255 11.552 1.802 1.00 0.00 C ATOM 110 CD GLN A 11 10.425 12.390 2.303 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.916 12.184 3.413 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.909 13.334 1.543 1.00 0.00 N ATOM 0 H GLN A 11 5.639 13.137 2.195 1.00 0.00 H new ATOM 0 HA GLN A 11 6.982 11.380 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.949 13.272 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.820 12.202 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.305 10.548 2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.308 11.445 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.504 13.506 0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.693 13.900 1.869 1.00 0.00 H new ATOM 121 N LYS A 12 5.810 10.072 3.234 1.00 0.00 N ATOM 122 CA LYS A 12 5.572 8.814 3.935 1.00 0.00 C ATOM 123 C LYS A 12 4.513 7.992 3.211 1.00 0.00 C ATOM 124 O LYS A 12 4.625 6.772 3.095 1.00 0.00 O ATOM 125 CB LYS A 12 5.103 9.082 5.368 1.00 0.00 C ATOM 126 CG LYS A 12 5.579 7.951 6.281 1.00 0.00 C ATOM 127 CD LYS A 12 5.823 8.500 7.688 1.00 0.00 C ATOM 128 CE LYS A 12 6.969 7.730 8.346 1.00 0.00 C ATOM 129 NZ LYS A 12 8.263 8.399 8.029 1.00 0.00 N ATOM 0 H LYS A 12 5.322 10.877 3.626 1.00 0.00 H new ATOM 0 HA LYS A 12 6.509 8.258 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.497 10.036 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.016 9.155 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.833 7.157 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.495 7.512 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.066 9.561 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.918 8.408 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.822 7.691 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.982 6.700 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.043 7.876 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.402 8.415 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.248 9.374 8.391 1.00 0.00 H new ATOM 143 N LEU A 13 3.480 8.675 2.723 1.00 0.00 N ATOM 144 CA LEU A 13 2.399 7.998 2.010 1.00 0.00 C ATOM 145 C LEU A 13 2.933 7.312 0.756 1.00 0.00 C ATOM 146 O LEU A 13 2.632 6.146 0.493 1.00 0.00 O ATOM 147 CB LEU A 13 1.316 9.001 1.604 1.00 0.00 C ATOM 148 CG LEU A 13 0.544 9.449 2.845 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.044 10.881 2.648 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.651 8.519 3.065 1.00 0.00 C ATOM 0 H LEU A 13 3.368 9.685 2.806 1.00 0.00 H new ATOM 0 HA LEU A 13 1.972 7.251 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.769 9.863 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.636 8.546 0.884 1.00 0.00 H new ATOM 0 HG LEU A 13 1.201 9.410 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.506 11.199 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.894 11.545 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.613 10.921 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.202 8.838 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.307 8.558 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.296 7.498 3.207 1.00 0.00 H new ATOM 162 N ILE A 14 3.726 8.048 -0.015 1.00 0.00 N ATOM 163 CA ILE A 14 4.299 7.504 -1.243 1.00 0.00 C ATOM 164 C ILE A 14 5.259 6.359 -0.921 1.00 0.00 C ATOM 165 O ILE A 14 5.150 5.265 -1.473 1.00 0.00 O ATOM 166 CB ILE A 14 5.054 8.597 -2.011 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.102 9.760 -2.302 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.585 8.035 -3.334 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.913 11.012 -2.643 1.00 0.00 C ATOM 0 H ILE A 14 3.986 9.014 0.185 1.00 0.00 H new ATOM 0 HA ILE A 14 3.483 7.128 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 14 5.892 8.946 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.442 9.505 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.468 9.950 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.120 8.817 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.263 7.206 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.751 7.682 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.235 11.840 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.554 11.271 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.528 10.819 -3.522 1.00 0.00 H new ATOM 181 N SER A 15 6.203 6.629 -0.025 1.00 0.00 N ATOM 182 CA SER A 15 7.185 5.618 0.361 1.00 0.00 C ATOM 183 C SER A 15 6.494 4.389 0.948 1.00 0.00 C ATOM 184 O SER A 15 6.906 3.254 0.709 1.00 0.00 O ATOM 185 CB SER A 15 8.156 6.183 1.398 1.00 0.00 C ATOM 186 OG SER A 15 8.884 7.260 0.820 1.00 0.00 O ATOM 0 H SER A 15 6.310 7.529 0.444 1.00 0.00 H new ATOM 0 HA SER A 15 7.734 5.330 -0.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.609 6.528 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.841 5.405 1.734 1.00 0.00 H new ATOM 0 HG SER A 15 8.384 8.094 0.939 1.00 0.00 H new ATOM 192 N GLU A 16 5.436 4.629 1.717 1.00 0.00 N ATOM 193 CA GLU A 16 4.692 3.534 2.334 1.00 0.00 C ATOM 194 C GLU A 16 3.925 2.749 1.275 1.00 0.00 C ATOM 195 O GLU A 16 3.810 1.526 1.349 1.00 0.00 O ATOM 196 CB GLU A 16 3.703 4.073 3.369 1.00 0.00 C ATOM 197 CG GLU A 16 4.438 4.347 4.683 1.00 0.00 C ATOM 198 CD GLU A 16 3.433 4.774 5.747 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.002 5.914 5.703 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.109 3.955 6.593 1.00 0.00 O ATOM 0 H GLU A 16 5.077 5.560 1.927 1.00 0.00 H new ATOM 0 HA GLU A 16 5.408 2.877 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.239 4.988 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.902 3.352 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.970 3.453 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.185 5.128 4.539 1.00 0.00 H new ATOM 207 N GLU A 17 3.399 3.470 0.287 1.00 0.00 N ATOM 208 CA GLU A 17 2.640 2.833 -0.787 1.00 0.00 C ATOM 209 C GLU A 17 3.563 1.987 -1.659 1.00 0.00 C ATOM 210 O GLU A 17 3.172 0.933 -2.161 1.00 0.00 O ATOM 211 CB GLU A 17 1.961 3.889 -1.660 1.00 0.00 C ATOM 212 CG GLU A 17 0.997 3.205 -2.631 1.00 0.00 C ATOM 213 CD GLU A 17 0.552 4.203 -3.694 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.057 5.255 -3.322 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.712 3.903 -4.866 1.00 0.00 O ATOM 0 H GLU A 17 3.483 4.483 0.208 1.00 0.00 H new ATOM 0 HA GLU A 17 1.882 2.195 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.421 4.600 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.710 4.455 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.483 2.350 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.131 2.822 -2.091 1.00 0.00 H new ATOM 222 N ASP A 18 4.793 2.462 -1.834 1.00 0.00 N ATOM 223 CA ASP A 18 5.768 1.745 -2.649 1.00 0.00 C ATOM 224 C ASP A 18 6.062 0.375 -2.044 1.00 0.00 C ATOM 225 O ASP A 18 6.114 -0.633 -2.749 1.00 0.00 O ATOM 226 CB ASP A 18 7.073 2.538 -2.746 1.00 0.00 C ATOM 227 CG ASP A 18 7.989 1.887 -3.777 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.612 0.892 -3.445 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.055 2.394 -4.885 1.00 0.00 O ATOM 0 H ASP A 18 5.136 3.332 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 18 5.346 1.620 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.864 3.569 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.566 2.568 -1.774 1.00 0.00 H new ATOM 234 N LEU A 19 6.255 0.352 -0.729 1.00 0.00 N ATOM 235 CA LEU A 19 6.545 -0.899 -0.033 1.00 0.00 C ATOM 236 C LEU A 19 5.382 -1.875 -0.183 1.00 0.00 C ATOM 237 O LEU A 19 5.573 -3.090 -0.234 1.00 0.00 O ATOM 238 CB LEU A 19 6.790 -0.640 1.454 1.00 0.00 C ATOM 239 CG LEU A 19 7.626 -1.779 2.040 1.00 0.00 C ATOM 240 CD1 LEU A 19 9.109 -1.506 1.786 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.377 -1.871 3.547 1.00 0.00 C ATOM 0 H LEU A 19 6.217 1.175 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 19 7.441 -1.331 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.306 0.310 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.840 -0.564 1.982 1.00 0.00 H new ATOM 0 HG LEU A 19 7.342 -2.719 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.705 -2.317 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.288 -1.439 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.392 -0.566 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.972 -2.683 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.661 -0.931 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.320 -2.065 3.730 1.00 0.00 H new ATOM 253 N LEU A 20 4.170 -1.329 -0.254 1.00 0.00 N ATOM 254 CA LEU A 20 2.977 -2.159 -0.399 1.00 0.00 C ATOM 255 C LEU A 20 2.921 -2.774 -1.794 1.00 0.00 C ATOM 256 O LEU A 20 2.429 -3.887 -1.977 1.00 0.00 O ATOM 257 CB LEU A 20 1.714 -1.326 -0.170 1.00 0.00 C ATOM 258 CG LEU A 20 1.333 -1.374 1.311 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.459 -0.165 1.652 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.553 -2.660 1.594 1.00 0.00 C ATOM 0 H LEU A 20 3.989 -0.326 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 20 3.028 -2.953 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.885 -0.295 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.896 -1.711 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 20 2.237 -1.354 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.187 -0.199 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.012 0.752 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.445 -0.186 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.281 -2.696 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.351 -2.679 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.173 -3.523 1.350 1.00 0.00 H new ATOM 272 N ARG A 21 3.432 -2.035 -2.774 1.00 0.00 N ATOM 273 CA ARG A 21 3.437 -2.516 -4.154 1.00 0.00 C ATOM 274 C ARG A 21 4.277 -3.783 -4.275 1.00 0.00 C ATOM 275 O ARG A 21 3.826 -4.797 -4.805 1.00 0.00 O ATOM 276 CB ARG A 21 4.006 -1.450 -5.094 1.00 0.00 C ATOM 277 CG ARG A 21 3.137 -0.191 -5.030 1.00 0.00 C ATOM 278 CD ARG A 21 3.063 0.452 -6.416 1.00 0.00 C ATOM 279 NE ARG A 21 4.408 0.695 -6.945 1.00 0.00 N ATOM 280 CZ ARG A 21 5.150 1.741 -6.554 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.704 2.599 -5.668 1.00 0.00 N ATOM 282 NH2 ARG A 21 6.340 1.908 -7.064 1.00 0.00 N ATOM 0 H ARG A 21 3.844 -1.111 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 21 2.407 -2.734 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.031 -1.211 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.038 -1.831 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.136 -0.445 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.554 0.515 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.511 -0.198 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.514 1.392 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 21 4.792 0.047 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.776 2.477 -5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.285 3.388 -5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.697 1.246 -7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.913 2.700 -6.773 1.00 0.00 H new ATOM 296 N LYS A 22 5.508 -3.712 -3.776 1.00 0.00 N ATOM 297 CA LYS A 22 6.412 -4.859 -3.832 1.00 0.00 C ATOM 298 C LYS A 22 5.834 -6.033 -3.047 1.00 0.00 C ATOM 299 O LYS A 22 6.040 -7.195 -3.397 1.00 0.00 O ATOM 300 CB LYS A 22 7.778 -4.494 -3.249 1.00 0.00 C ATOM 301 CG LYS A 22 8.857 -5.362 -3.899 1.00 0.00 C ATOM 302 CD LYS A 22 9.319 -4.709 -5.203 1.00 0.00 C ATOM 303 CE LYS A 22 10.203 -5.689 -5.979 1.00 0.00 C ATOM 304 NZ LYS A 22 10.591 -5.082 -7.284 1.00 0.00 N ATOM 0 H LYS A 22 5.900 -2.882 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 22 6.529 -5.144 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.990 -3.439 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.777 -4.644 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.701 -5.481 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.465 -6.360 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.456 -4.425 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.872 -3.795 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.094 -5.930 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.668 -6.624 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.192 -5.747 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.736 -4.874 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.117 -4.201 -7.114 1.00 0.00 H new ATOM 318 N ARG A 23 5.108 -5.715 -1.979 1.00 0.00 N ATOM 319 CA ARG A 23 4.503 -6.749 -1.145 1.00 0.00 C ATOM 320 C ARG A 23 3.352 -7.424 -1.883 1.00 0.00 C ATOM 321 O ARG A 23 3.206 -8.646 -1.852 1.00 0.00 O ATOM 322 CB ARG A 23 3.975 -6.146 0.158 1.00 0.00 C ATOM 323 CG ARG A 23 3.742 -7.261 1.179 1.00 0.00 C ATOM 324 CD ARG A 23 2.997 -6.696 2.389 1.00 0.00 C ATOM 325 NE ARG A 23 2.146 -7.722 2.998 1.00 0.00 N ATOM 326 CZ ARG A 23 1.275 -7.439 3.976 1.00 0.00 C ATOM 327 NH1 ARG A 23 1.144 -6.218 4.437 1.00 0.00 N ATOM 328 NH2 ARG A 23 0.543 -8.394 4.479 1.00 0.00 N ATOM 0 H ARG A 23 4.925 -4.759 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 23 5.271 -7.488 -0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.688 -5.422 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.045 -5.609 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.165 -8.068 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.695 -7.687 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.713 -6.327 3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.388 -5.846 2.083 1.00 0.00 H new ATOM 0 HE ARG A 23 2.219 -8.684 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.711 -5.463 4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.475 -6.023 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.636 -9.347 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.123 -8.188 5.224 1.00 0.00 H new ATOM 342 N ARG A 24 2.533 -6.612 -2.546 1.00 0.00 N ATOM 343 CA ARG A 24 1.392 -7.139 -3.292 1.00 0.00 C ATOM 344 C ARG A 24 1.868 -7.920 -4.513 1.00 0.00 C ATOM 345 O ARG A 24 1.241 -8.897 -4.924 1.00 0.00 O ATOM 346 CB ARG A 24 0.480 -6.000 -3.752 1.00 0.00 C ATOM 347 CG ARG A 24 -0.828 -6.580 -4.292 1.00 0.00 C ATOM 348 CD ARG A 24 -1.927 -5.519 -4.215 1.00 0.00 C ATOM 349 NE ARG A 24 -2.972 -5.786 -5.208 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.742 -5.699 -6.526 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.560 -5.372 -6.990 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.713 -5.947 -7.362 1.00 0.00 N ATOM 0 H ARG A 24 2.635 -5.598 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 24 0.836 -7.803 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.275 -5.326 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.976 -5.412 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.695 -6.907 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.115 -7.458 -3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.361 -5.510 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.499 -4.531 -4.386 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.904 -6.046 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.794 -5.178 -6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.406 -5.311 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.635 -6.204 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.549 -5.884 -8.367 1.00 0.00 H new ATOM 366 N GLU A 25 2.981 -7.477 -5.087 1.00 0.00 N ATOM 367 CA GLU A 25 3.536 -8.140 -6.264 1.00 0.00 C ATOM 368 C GLU A 25 3.933 -9.574 -5.932 1.00 0.00 C ATOM 369 O GLU A 25 3.772 -10.484 -6.746 1.00 0.00 O ATOM 370 CB GLU A 25 4.765 -7.387 -6.775 1.00 0.00 C ATOM 371 CG GLU A 25 5.017 -7.753 -8.240 1.00 0.00 C ATOM 372 CD GLU A 25 6.405 -7.274 -8.653 1.00 0.00 C ATOM 373 OE1 GLU A 25 7.371 -7.803 -8.129 1.00 0.00 O ATOM 374 OE2 GLU A 25 6.479 -6.387 -9.486 1.00 0.00 O ATOM 0 H GLU A 25 3.513 -6.670 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 25 2.768 -8.146 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.612 -6.312 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.636 -7.640 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.938 -8.832 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.259 -7.296 -8.876 1.00 0.00 H new ATOM 381 N GLN A 26 4.455 -9.766 -4.724 1.00 0.00 N ATOM 382 CA GLN A 26 4.875 -11.094 -4.288 1.00 0.00 C ATOM 383 C GLN A 26 3.662 -11.950 -3.942 1.00 0.00 C ATOM 384 O GLN A 26 3.619 -13.144 -4.244 1.00 0.00 O ATOM 385 CB GLN A 26 5.781 -10.994 -3.059 1.00 0.00 C ATOM 386 CG GLN A 26 7.141 -10.427 -3.471 1.00 0.00 C ATOM 387 CD GLN A 26 7.998 -11.540 -4.063 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.501 -12.388 -4.806 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.271 -11.591 -3.778 1.00 0.00 N ATOM 0 H GLN A 26 4.596 -9.027 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 26 5.425 -11.557 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.321 -10.353 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.907 -11.978 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.008 -9.629 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.641 -9.989 -2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.684 -10.890 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.852 -12.332 -4.170 1.00 0.00 H new ATOM 398 N LEU A 27 2.675 -11.328 -3.304 1.00 0.00 N ATOM 399 CA LEU A 27 1.460 -12.040 -2.918 1.00 0.00 C ATOM 400 C LEU A 27 0.734 -12.562 -4.153 1.00 0.00 C ATOM 401 O LEU A 27 0.153 -13.647 -4.138 1.00 0.00 O ATOM 402 CB LEU A 27 0.520 -11.115 -2.141 1.00 0.00 C ATOM 403 CG LEU A 27 1.035 -10.951 -0.710 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.283 -9.809 -0.024 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.804 -12.251 0.066 1.00 0.00 C ATOM 0 H LEU A 27 2.691 -10.342 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 27 1.749 -12.878 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.461 -10.143 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.488 -11.529 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 27 2.101 -10.723 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.650 -9.692 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.445 -8.883 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.783 -10.037 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.170 -12.136 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.262 -12.478 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.339 -13.066 -0.422 1.00 0.00 H new ATOM 417 N LYS A 28 0.773 -11.775 -5.225 1.00 0.00 N ATOM 418 CA LYS A 28 0.114 -12.163 -6.470 1.00 0.00 C ATOM 419 C LYS A 28 0.851 -13.329 -7.123 1.00 0.00 C ATOM 420 O LYS A 28 0.247 -14.174 -7.780 1.00 0.00 O ATOM 421 CB LYS A 28 0.076 -10.986 -7.446 1.00 0.00 C ATOM 422 CG LYS A 28 -1.166 -10.136 -7.176 1.00 0.00 C ATOM 423 CD LYS A 28 -1.472 -9.273 -8.401 1.00 0.00 C ATOM 424 CE LYS A 28 -2.265 -10.094 -9.420 1.00 0.00 C ATOM 425 NZ LYS A 28 -2.250 -9.399 -10.738 1.00 0.00 N ATOM 0 H LYS A 28 1.249 -10.873 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.905 -12.467 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.975 -10.380 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.062 -11.352 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.017 -10.779 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.003 -9.503 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.042 -8.392 -8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.544 -8.916 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.832 -11.090 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.292 -10.225 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.789 -9.957 -11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.682 -8.458 -10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.268 -9.296 -11.065 1.00 0.00 H new ATOM 439 N HIS A 29 2.169 -13.360 -6.934 1.00 0.00 N ATOM 440 CA HIS A 29 2.984 -14.425 -7.511 1.00 0.00 C ATOM 441 C HIS A 29 2.565 -15.782 -6.954 1.00 0.00 C ATOM 442 O HIS A 29 2.258 -16.709 -7.704 1.00 0.00 O ATOM 443 CB HIS A 29 4.464 -14.195 -7.196 1.00 0.00 C ATOM 444 CG HIS A 29 5.037 -13.209 -8.177 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.870 -13.347 -9.546 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.778 -12.066 -8.003 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.496 -12.313 -10.137 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.067 -11.502 -9.242 1.00 0.00 N ATOM 0 H HIS A 29 2.689 -12.669 -6.393 1.00 0.00 H new ATOM 0 HA HIS A 29 2.834 -14.414 -8.591 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.576 -13.820 -6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.009 -15.137 -7.250 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.089 -11.666 -7.049 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.532 -12.158 -11.205 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.600 -10.652 -9.427 1.00 0.00 H new ATOM 456 N LYS A 30 2.554 -15.887 -5.628 1.00 0.00 N ATOM 457 CA LYS A 30 2.171 -17.135 -4.977 1.00 0.00 C ATOM 458 C LYS A 30 0.716 -17.474 -5.287 1.00 0.00 C ATOM 459 O LYS A 30 0.375 -18.627 -5.547 1.00 0.00 O ATOM 460 CB LYS A 30 2.343 -17.023 -3.460 1.00 0.00 C ATOM 461 CG LYS A 30 3.820 -16.803 -3.128 1.00 0.00 C ATOM 462 CD LYS A 30 4.144 -17.453 -1.781 1.00 0.00 C ATOM 463 CE LYS A 30 5.661 -17.526 -1.600 1.00 0.00 C ATOM 464 NZ LYS A 30 6.000 -18.665 -0.702 1.00 0.00 N ATOM 0 H LYS A 30 2.803 -15.132 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 30 2.818 -17.925 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.746 -16.196 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.981 -17.929 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.447 -17.231 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.040 -15.736 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.698 -16.876 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.713 -18.453 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.148 -17.654 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.033 -16.593 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.031 -18.715 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.547 -18.524 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.658 -19.553 -1.123 1.00 0.00 H new ATOM 478 N LEU A 31 -0.136 -16.454 -5.257 1.00 0.00 N ATOM 479 CA LEU A 31 -1.558 -16.650 -5.535 1.00 0.00 C ATOM 480 C LEU A 31 -1.756 -17.170 -6.956 1.00 0.00 C ATOM 481 O LEU A 31 -2.637 -17.988 -7.217 1.00 0.00 O ATOM 482 CB LEU A 31 -2.319 -15.332 -5.373 1.00 0.00 C ATOM 483 CG LEU A 31 -3.695 -15.602 -4.760 1.00 0.00 C ATOM 484 CD1 LEU A 31 -3.544 -15.862 -3.259 1.00 0.00 C ATOM 485 CD2 LEU A 31 -4.598 -14.386 -4.977 1.00 0.00 C ATOM 0 H LEU A 31 0.128 -15.492 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.944 -17.381 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.754 -14.651 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.431 -14.844 -6.341 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.139 -16.475 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.524 -16.054 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.901 -16.728 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.099 -14.989 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.578 -14.578 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.153 -13.513 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.707 -14.200 -6.045 1.00 0.00 H new ATOM 497 N GLU A 32 -0.926 -16.679 -7.871 1.00 0.00 N ATOM 498 CA GLU A 32 -1.015 -17.095 -9.267 1.00 0.00 C ATOM 499 C GLU A 32 -0.255 -18.401 -9.491 1.00 0.00 C ATOM 500 O GLU A 32 -0.609 -19.198 -10.359 1.00 0.00 O ATOM 501 CB GLU A 32 -0.433 -16.017 -10.185 1.00 0.00 C ATOM 502 CG GLU A 32 -0.975 -16.206 -11.603 1.00 0.00 C ATOM 503 CD GLU A 32 -0.106 -17.207 -12.353 1.00 0.00 C ATOM 504 OE1 GLU A 32 1.084 -16.961 -12.466 1.00 0.00 O ATOM 505 OE2 GLU A 32 -0.640 -18.207 -12.804 1.00 0.00 O ATOM 0 H GLU A 32 -0.191 -15.999 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.068 -17.246 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.696 -15.027 -9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.655 -16.077 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.005 -16.560 -11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.985 -15.252 -12.130 1.00 0.00 H new ATOM 512 N GLN A 33 0.797 -18.608 -8.701 1.00 0.00 N ATOM 513 CA GLN A 33 1.602 -19.819 -8.827 1.00 0.00 C ATOM 514 C GLN A 33 0.916 -20.999 -8.141 1.00 0.00 C ATOM 515 O GLN A 33 0.519 -21.966 -8.789 1.00 0.00 O ATOM 516 CB GLN A 33 2.982 -19.612 -8.201 1.00 0.00 C ATOM 517 CG GLN A 33 3.989 -20.557 -8.859 1.00 0.00 C ATOM 518 CD GLN A 33 4.426 -19.982 -10.201 1.00 0.00 C ATOM 519 OE1 GLN A 33 4.866 -18.835 -10.279 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.328 -20.718 -11.276 1.00 0.00 N ATOM 0 H GLN A 33 1.108 -17.961 -7.976 1.00 0.00 H new ATOM 0 HA GLN A 33 1.713 -20.036 -9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.300 -18.578 -8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.938 -19.800 -7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.854 -20.692 -8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.541 -21.540 -9.001 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.963 -21.668 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.616 -20.342 -12.179 1.00 0.00 H new ATOM 529 N LEU A 34 0.787 -20.910 -6.819 1.00 0.00 N ATOM 530 CA LEU A 34 0.152 -21.979 -6.049 1.00 0.00 C ATOM 531 C LEU A 34 0.936 -23.281 -6.203 1.00 0.00 C ATOM 532 O LEU A 34 0.697 -24.058 -7.127 1.00 0.00 O ATOM 533 CB LEU A 34 -1.296 -22.199 -6.521 1.00 0.00 C ATOM 534 CG LEU A 34 -2.283 -21.519 -5.558 1.00 0.00 C ATOM 535 CD1 LEU A 34 -2.160 -22.136 -4.157 1.00 0.00 C ATOM 536 CD2 LEU A 34 -1.990 -20.014 -5.490 1.00 0.00 C ATOM 0 H LEU A 34 1.110 -20.118 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 34 0.145 -21.682 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.423 -21.796 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.509 -23.267 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.298 -21.671 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.863 -21.648 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.385 -23.201 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.144 -21.997 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.692 -19.537 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.972 -19.857 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.097 -19.577 -6.483 1.00 0.00 H new HETATM 548 N NH2 A 35 1.871 -23.568 -5.339 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 -0.431 26.314 -1.786 1.00 0.00 C HETATM 553 O ACE B 2 -1.395 25.589 -2.029 1.00 0.00 O HETATM 554 CH3 ACE B 2 -0.494 27.818 -2.030 1.00 0.00 C HETATM 0 H1 ACE B 2 -0.326 28.346 -1.091 1.00 0.00 H new HETATM 0 H2 ACE B 2 0.275 28.103 -2.749 1.00 0.00 H new HETATM 0 H3 ACE B 2 -1.475 28.082 -2.425 1.00 0.00 H new ATOM 558 N CYS B 3 0.720 25.853 -1.300 1.00 0.00 N ATOM 559 CA CYS B 3 0.909 24.429 -1.021 1.00 0.00 C ATOM 560 C CYS B 3 0.744 23.609 -2.297 1.00 0.00 C ATOM 561 O CYS B 3 0.178 24.077 -3.285 1.00 0.00 O ATOM 562 CB CYS B 3 -0.108 23.946 0.017 1.00 0.00 C ATOM 563 SG CYS B 3 0.151 24.834 1.573 1.00 0.00 S ATOM 0 H CYS B 3 1.530 26.438 -1.092 1.00 0.00 H new ATOM 0 HA CYS B 3 1.918 24.294 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -1.122 24.114 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -0.000 22.873 0.176 1.00 0.00 H new ATOM 568 N GLY B 4 1.248 22.379 -2.263 1.00 0.00 N ATOM 569 CA GLY B 4 1.154 21.496 -3.423 1.00 0.00 C ATOM 570 C GLY B 4 0.558 20.149 -3.029 1.00 0.00 C ATOM 571 O GLY B 4 0.938 19.555 -2.020 1.00 0.00 O ATOM 0 H GLY B 4 1.721 21.974 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY B 4 0.537 21.961 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY B 4 2.144 21.349 -3.855 1.00 0.00 H new ATOM 575 N GLY B 5 -0.382 19.674 -3.840 1.00 0.00 N ATOM 576 CA GLY B 5 -1.029 18.392 -3.572 1.00 0.00 C ATOM 577 C GLY B 5 -2.319 18.591 -2.784 1.00 0.00 C ATOM 578 O GLY B 5 -3.369 18.054 -3.138 1.00 0.00 O ATOM 0 H GLY B 5 -0.711 20.151 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -1.246 17.886 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -0.351 17.747 -3.012 1.00 0.00 H new ATOM 582 N MET B 6 -2.230 19.372 -1.710 1.00 0.00 N ATOM 583 CA MET B 6 -3.398 19.641 -0.873 1.00 0.00 C ATOM 584 C MET B 6 -3.933 18.342 -0.274 1.00 0.00 C ATOM 585 O MET B 6 -3.428 17.255 -0.559 1.00 0.00 O ATOM 586 CB MET B 6 -4.506 20.310 -1.692 1.00 0.00 C ATOM 587 CG MET B 6 -5.266 21.308 -0.812 1.00 0.00 C ATOM 588 SD MET B 6 -5.844 22.694 -1.821 1.00 0.00 S ATOM 589 CE MET B 6 -6.897 23.465 -0.566 1.00 0.00 C ATOM 0 H MET B 6 -1.371 19.826 -1.400 1.00 0.00 H new ATOM 0 HA MET B 6 -3.090 20.312 -0.071 1.00 0.00 H new ATOM 0 HB2 MET B 6 -4.077 20.823 -2.553 1.00 0.00 H new ATOM 0 HB3 MET B 6 -5.191 19.556 -2.079 1.00 0.00 H new ATOM 0 HG2 MET B 6 -6.113 20.815 -0.335 1.00 0.00 H new ATOM 0 HG3 MET B 6 -4.618 21.672 -0.015 1.00 0.00 H new ATOM 0 HE1 MET B 6 -7.364 24.358 -0.981 1.00 0.00 H new ATOM 0 HE2 MET B 6 -7.670 22.761 -0.258 1.00 0.00 H new ATOM 0 HE3 MET B 6 -6.292 23.740 0.298 1.00 0.00 H new ATOM 599 N ARG B 7 -4.962 18.468 0.559 1.00 0.00 N ATOM 600 CA ARG B 7 -5.566 17.299 1.200 1.00 0.00 C ATOM 601 C ARG B 7 -6.086 16.316 0.152 1.00 0.00 C ATOM 602 O ARG B 7 -6.143 15.108 0.390 1.00 0.00 O ATOM 603 CB ARG B 7 -6.725 17.726 2.102 1.00 0.00 C ATOM 604 CG ARG B 7 -6.790 16.808 3.327 1.00 0.00 C ATOM 605 CD ARG B 7 -7.787 15.675 3.068 1.00 0.00 C ATOM 606 NE ARG B 7 -8.498 15.324 4.299 1.00 0.00 N ATOM 607 CZ ARG B 7 -7.883 14.734 5.335 1.00 0.00 C ATOM 608 NH1 ARG B 7 -6.605 14.442 5.290 1.00 0.00 N ATOM 609 NH2 ARG B 7 -8.567 14.444 6.406 1.00 0.00 N ATOM 0 H ARG B 7 -5.394 19.359 0.806 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.797 16.811 1.799 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.591 18.761 2.417 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.664 17.680 1.550 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -5.803 16.396 3.538 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.092 17.378 4.206 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.501 15.979 2.303 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -7.261 14.801 2.683 1.00 0.00 H new ATOM 0 HE ARG B 7 -9.493 15.535 4.371 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -6.060 14.664 4.457 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -6.156 13.993 6.088 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -9.562 14.666 6.452 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -8.108 13.995 7.199 1.00 0.00 H new ATOM 623 N ARG B 8 -6.467 16.843 -1.011 1.00 0.00 N ATOM 624 CA ARG B 8 -6.982 16.000 -2.088 1.00 0.00 C ATOM 625 C ARG B 8 -5.937 14.974 -2.516 1.00 0.00 C ATOM 626 O ARG B 8 -6.229 13.785 -2.644 1.00 0.00 O ATOM 627 CB ARG B 8 -7.368 16.853 -3.299 1.00 0.00 C ATOM 628 CG ARG B 8 -8.413 16.113 -4.134 1.00 0.00 C ATOM 629 CD ARG B 8 -9.329 17.126 -4.822 1.00 0.00 C ATOM 630 NE ARG B 8 -8.656 17.732 -5.975 1.00 0.00 N ATOM 631 CZ ARG B 8 -9.099 18.862 -6.545 1.00 0.00 C ATOM 632 NH1 ARG B 8 -10.163 19.481 -6.092 1.00 0.00 N ATOM 633 NH2 ARG B 8 -8.459 19.355 -7.570 1.00 0.00 N ATOM 0 H ARG B 8 -6.430 17.839 -1.230 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.864 15.481 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.765 17.813 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.486 17.064 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.922 15.487 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.999 15.450 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -10.245 16.633 -5.147 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.618 17.902 -4.114 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.825 17.280 -6.356 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.670 19.104 -5.291 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.483 20.339 -6.540 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.630 18.881 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.787 20.214 -8.011 1.00 0.00 H new ATOM 647 N LYS B 9 -4.714 15.449 -2.737 1.00 0.00 N ATOM 648 CA LYS B 9 -3.628 14.563 -3.151 1.00 0.00 C ATOM 649 C LYS B 9 -3.354 13.518 -2.074 1.00 0.00 C ATOM 650 O LYS B 9 -3.140 12.343 -2.368 1.00 0.00 O ATOM 651 CB LYS B 9 -2.349 15.365 -3.405 1.00 0.00 C ATOM 652 CG LYS B 9 -1.292 14.456 -4.033 1.00 0.00 C ATOM 653 CD LYS B 9 -1.360 14.571 -5.558 1.00 0.00 C ATOM 654 CE LYS B 9 -0.355 15.621 -6.038 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.869 16.271 -7.276 1.00 0.00 N ATOM 0 H LYS B 9 -4.451 16.430 -2.638 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.932 14.065 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.560 16.206 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.976 15.781 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.300 14.737 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.458 13.423 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.140 13.606 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.368 14.849 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.195 16.369 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.610 15.154 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.186 16.985 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -1.000 15.553 -8.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -1.780 16.730 -7.074 1.00 0.00 H new ATOM 669 N ASN B 10 -3.367 13.961 -0.819 1.00 0.00 N ATOM 670 CA ASN B 10 -3.121 13.056 0.300 1.00 0.00 C ATOM 671 C ASN B 10 -4.270 12.062 0.442 1.00 0.00 C ATOM 672 O ASN B 10 -4.072 10.914 0.839 1.00 0.00 O ATOM 673 CB ASN B 10 -2.976 13.842 1.605 1.00 0.00 C ATOM 674 CG ASN B 10 -1.512 14.209 1.818 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.615 13.507 1.353 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.214 15.280 2.503 1.00 0.00 N ATOM 0 H ASN B 10 -3.543 14.930 -0.553 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.196 12.516 0.099 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.586 14.744 1.568 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.338 13.246 2.443 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.238 15.535 2.652 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.958 15.862 2.889 1.00 0.00 H new ATOM 683 N ASP B 11 -5.475 12.519 0.109 1.00 0.00 N ATOM 684 CA ASP B 11 -6.655 11.663 0.201 1.00 0.00 C ATOM 685 C ASP B 11 -6.517 10.467 -0.738 1.00 0.00 C ATOM 686 O ASP B 11 -6.779 9.326 -0.355 1.00 0.00 O ATOM 687 CB ASP B 11 -7.916 12.446 -0.171 1.00 0.00 C ATOM 688 CG ASP B 11 -8.448 13.169 1.061 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.372 12.598 2.137 1.00 0.00 O ATOM 690 OD2 ASP B 11 -8.923 14.282 0.912 1.00 0.00 O ATOM 0 H ASP B 11 -5.659 13.466 -0.223 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.738 11.312 1.230 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.691 13.165 -0.959 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.674 11.769 -0.564 1.00 0.00 H new ATOM 695 N THR B 12 -6.102 10.743 -1.970 1.00 0.00 N ATOM 696 CA THR B 12 -5.929 9.684 -2.960 1.00 0.00 C ATOM 697 C THR B 12 -4.859 8.699 -2.502 1.00 0.00 C ATOM 698 O THR B 12 -4.934 7.503 -2.779 1.00 0.00 O ATOM 699 CB THR B 12 -5.518 10.275 -4.311 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.356 11.074 -4.141 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.656 11.136 -4.862 1.00 0.00 C ATOM 0 H THR B 12 -5.881 11.681 -2.305 1.00 0.00 H new ATOM 0 HA THR B 12 -6.881 9.164 -3.067 1.00 0.00 H new ATOM 0 HB THR B 12 -5.306 9.468 -5.012 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.242 11.288 -3.192 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.362 11.556 -5.824 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.547 10.522 -4.992 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.871 11.945 -4.164 1.00 0.00 H new ATOM 709 N HIS B 13 -3.860 9.218 -1.793 1.00 0.00 N ATOM 710 CA HIS B 13 -2.774 8.378 -1.294 1.00 0.00 C ATOM 711 C HIS B 13 -3.306 7.363 -0.289 1.00 0.00 C ATOM 712 O HIS B 13 -2.876 6.210 -0.262 1.00 0.00 O ATOM 713 CB HIS B 13 -1.705 9.236 -0.615 1.00 0.00 C ATOM 714 CG HIS B 13 -0.703 9.698 -1.637 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.064 8.818 -2.495 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.219 10.943 -1.947 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.762 9.541 -3.275 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.707 10.843 -2.983 1.00 0.00 N ATOM 0 H HIS B 13 -3.779 10.206 -1.553 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.335 7.854 -2.143 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.168 10.096 -0.131 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.205 8.662 0.165 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.511 11.862 -1.461 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.393 9.119 -4.044 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.230 11.600 -3.423 1.00 0.00 H new ATOM 726 N GLN B 14 -4.244 7.809 0.538 1.00 0.00 N ATOM 727 CA GLN B 14 -4.835 6.937 1.550 1.00 0.00 C ATOM 728 C GLN B 14 -5.643 5.823 0.893 1.00 0.00 C ATOM 729 O GLN B 14 -5.631 4.679 1.344 1.00 0.00 O ATOM 730 CB GLN B 14 -5.750 7.736 2.478 1.00 0.00 C ATOM 731 CG GLN B 14 -4.935 8.289 3.647 1.00 0.00 C ATOM 732 CD GLN B 14 -4.847 7.239 4.749 1.00 0.00 C ATOM 733 OE1 GLN B 14 -4.550 6.073 4.482 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.091 7.583 5.984 1.00 0.00 N ATOM 0 H GLN B 14 -4.610 8.761 0.530 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.022 6.500 2.130 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.218 8.553 1.929 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.553 7.100 2.850 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.935 8.562 3.310 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.401 9.197 4.031 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.337 8.548 6.206 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.036 6.887 6.728 1.00 0.00 H new ATOM 743 N GLN B 15 -6.349 6.173 -0.180 1.00 0.00 N ATOM 744 CA GLN B 15 -7.165 5.194 -0.896 1.00 0.00 C ATOM 745 C GLN B 15 -6.297 4.059 -1.431 1.00 0.00 C ATOM 746 O GLN B 15 -6.541 2.887 -1.144 1.00 0.00 O ATOM 747 CB GLN B 15 -7.894 5.858 -2.066 1.00 0.00 C ATOM 748 CG GLN B 15 -9.204 5.116 -2.339 1.00 0.00 C ATOM 749 CD GLN B 15 -10.245 6.098 -2.867 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.076 6.598 -2.109 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.250 6.406 -4.135 1.00 0.00 N ATOM 0 H GLN B 15 -6.373 7.115 -0.570 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.895 4.790 -0.194 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.097 6.904 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.264 5.845 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.039 4.320 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.564 4.644 -1.425 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.561 5.992 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -10.942 7.061 -4.498 1.00 0.00 H new ATOM 760 N ASP B 16 -5.281 4.420 -2.211 1.00 0.00 N ATOM 761 CA ASP B 16 -4.378 3.422 -2.780 1.00 0.00 C ATOM 762 C ASP B 16 -3.685 2.640 -1.669 1.00 0.00 C ATOM 763 O ASP B 16 -3.512 1.424 -1.757 1.00 0.00 O ATOM 764 CB ASP B 16 -3.316 4.094 -3.653 1.00 0.00 C ATOM 765 CG ASP B 16 -2.912 3.150 -4.780 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.792 2.526 -5.349 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.726 3.065 -5.058 1.00 0.00 O ATOM 0 H ASP B 16 -5.063 5.384 -2.462 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.970 2.741 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.705 5.025 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.445 4.352 -3.051 1.00 0.00 H new ATOM 772 N ILE B 17 -3.296 3.353 -0.617 1.00 0.00 N ATOM 773 CA ILE B 17 -2.627 2.724 0.517 1.00 0.00 C ATOM 774 C ILE B 17 -3.563 1.713 1.180 1.00 0.00 C ATOM 775 O ILE B 17 -3.378 0.501 1.068 1.00 0.00 O ATOM 776 CB ILE B 17 -2.198 3.804 1.542 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.889 4.443 1.074 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.989 3.203 2.948 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.707 5.798 1.762 1.00 0.00 C ATOM 0 H ILE B 17 -3.431 4.360 -0.526 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.739 2.202 0.161 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.992 4.548 1.605 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.049 3.789 1.308 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.901 4.572 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.689 3.990 3.639 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.920 2.752 3.293 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.211 2.441 2.906 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.226 6.253 1.428 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.541 6.451 1.506 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.676 5.656 2.842 1.00 0.00 H new ATOM 791 N ASP B 18 -4.547 2.241 1.905 1.00 0.00 N ATOM 792 CA ASP B 18 -5.500 1.406 2.632 1.00 0.00 C ATOM 793 C ASP B 18 -6.032 0.259 1.762 1.00 0.00 C ATOM 794 O ASP B 18 -6.349 -0.820 2.260 1.00 0.00 O ATOM 795 CB ASP B 18 -6.681 2.254 3.120 1.00 0.00 C ATOM 796 CG ASP B 18 -6.451 2.672 4.569 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.374 1.794 5.413 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.355 3.862 4.814 1.00 0.00 O ATOM 0 H ASP B 18 -4.705 3.244 2.005 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.971 0.976 3.482 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.792 3.137 2.490 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.607 1.686 3.038 1.00 0.00 H new ATOM 803 N ASP B 19 -6.119 0.508 0.458 1.00 0.00 N ATOM 804 CA ASP B 19 -6.607 -0.510 -0.469 1.00 0.00 C ATOM 805 C ASP B 19 -5.569 -1.616 -0.634 1.00 0.00 C ATOM 806 O ASP B 19 -5.906 -2.792 -0.758 1.00 0.00 O ATOM 807 CB ASP B 19 -6.904 0.106 -1.837 1.00 0.00 C ATOM 808 CG ASP B 19 -7.603 -0.923 -2.719 1.00 0.00 C ATOM 809 OD1 ASP B 19 -6.959 -1.889 -3.094 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.774 -0.731 -3.007 1.00 0.00 O ATOM 0 H ASP B 19 -5.862 1.394 0.023 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.525 -0.929 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.533 0.988 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.978 0.435 -2.308 1.00 0.00 H new ATOM 815 N LEU B 20 -4.299 -1.220 -0.629 1.00 0.00 N ATOM 816 CA LEU B 20 -3.208 -2.181 -0.777 1.00 0.00 C ATOM 817 C LEU B 20 -3.113 -3.070 0.459 1.00 0.00 C ATOM 818 O LEU B 20 -3.008 -4.293 0.357 1.00 0.00 O ATOM 819 CB LEU B 20 -1.876 -1.453 -0.968 1.00 0.00 C ATOM 820 CG LEU B 20 -1.793 -0.902 -2.392 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.704 0.170 -2.463 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.453 -2.038 -3.359 1.00 0.00 C ATOM 0 H LEU B 20 -4.001 -0.250 -0.525 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.416 -2.795 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.787 -0.640 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.047 -2.136 -0.782 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.752 -0.464 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.645 0.562 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.945 0.980 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.256 -0.267 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.394 -1.646 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.494 -2.476 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.229 -2.802 -3.310 1.00 0.00 H new ATOM 834 N LYS B 21 -3.150 -2.439 1.630 1.00 0.00 N ATOM 835 CA LYS B 21 -3.067 -3.178 2.887 1.00 0.00 C ATOM 836 C LYS B 21 -4.245 -4.138 3.024 1.00 0.00 C ATOM 837 O LYS B 21 -4.089 -5.276 3.466 1.00 0.00 O ATOM 838 CB LYS B 21 -3.067 -2.215 4.076 1.00 0.00 C ATOM 839 CG LYS B 21 -1.803 -1.355 4.039 1.00 0.00 C ATOM 840 CD LYS B 21 -1.827 -0.362 5.204 1.00 0.00 C ATOM 841 CE LYS B 21 -0.395 0.040 5.562 1.00 0.00 C ATOM 842 NZ LYS B 21 0.225 -1.021 6.402 1.00 0.00 N ATOM 0 H LYS B 21 -3.236 -1.428 1.735 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.137 -3.746 2.880 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.952 -1.580 4.043 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.111 -2.775 5.010 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -0.918 -1.988 4.105 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.742 -0.819 3.092 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.406 0.520 4.932 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.317 -0.811 6.068 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.190 0.188 4.654 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.396 0.989 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.255 -1.018 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.013 -0.839 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -0.160 -1.948 6.130 1.00 0.00 H new ATOM 856 N ARG B 22 -5.427 -3.663 2.637 1.00 0.00 N ATOM 857 CA ARG B 22 -6.630 -4.486 2.721 1.00 0.00 C ATOM 858 C ARG B 22 -6.494 -5.721 1.836 1.00 0.00 C ATOM 859 O ARG B 22 -6.986 -6.799 2.171 1.00 0.00 O ATOM 860 CB ARG B 22 -7.857 -3.687 2.279 1.00 0.00 C ATOM 861 CG ARG B 22 -8.381 -2.860 3.454 1.00 0.00 C ATOM 862 CD ARG B 22 -9.856 -2.524 3.226 1.00 0.00 C ATOM 863 NE ARG B 22 -9.990 -1.277 2.468 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.155 -0.619 2.380 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.236 -1.066 2.975 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.214 0.488 1.689 1.00 0.00 N ATOM 0 H ARG B 22 -5.576 -2.724 2.267 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.754 -4.796 3.759 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.597 -3.032 1.448 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.634 -4.363 1.921 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.264 -3.416 4.384 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.800 -1.943 3.555 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.341 -3.338 2.686 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.365 -2.429 4.185 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.171 -0.898 1.992 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.200 -1.929 3.517 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.112 -0.550 2.895 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.379 0.844 1.223 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.095 0.997 1.615 1.00 0.00 H new ATOM 880 N GLN B 23 -5.822 -5.551 0.702 1.00 0.00 N ATOM 881 CA GLN B 23 -5.624 -6.660 -0.228 1.00 0.00 C ATOM 882 C GLN B 23 -4.446 -7.522 0.216 1.00 0.00 C ATOM 883 O GLN B 23 -4.533 -8.750 0.250 1.00 0.00 O ATOM 884 CB GLN B 23 -5.357 -6.135 -1.640 1.00 0.00 C ATOM 885 CG GLN B 23 -6.681 -6.010 -2.399 1.00 0.00 C ATOM 886 CD GLN B 23 -6.919 -7.271 -3.227 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.650 -8.437 -2.709 1.00 0.00 O flip ATOM 888 NE2 GLN B 23 -7.361 -7.193 -4.372 1.00 0.00 N flip ATOM 0 H GLN B 23 -5.409 -4.667 0.406 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.533 -7.262 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.861 -5.166 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.685 -6.810 -2.169 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.502 -5.864 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.658 -5.135 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.571 -6.281 -4.776 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.517 -8.041 -4.917 1.00 0.00 H new ATOM 897 N ASN B 24 -3.341 -6.864 0.554 1.00 0.00 N ATOM 898 CA ASN B 24 -2.147 -7.577 0.995 1.00 0.00 C ATOM 899 C ASN B 24 -2.426 -8.333 2.289 1.00 0.00 C ATOM 900 O ASN B 24 -2.004 -9.476 2.461 1.00 0.00 O ATOM 901 CB ASN B 24 -0.994 -6.597 1.228 1.00 0.00 C ATOM 902 CG ASN B 24 -0.683 -5.852 -0.066 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.518 -5.783 -0.970 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.480 -5.280 -0.211 1.00 0.00 N ATOM 0 H ASN B 24 -3.247 -5.849 0.532 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.869 -8.285 0.214 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.259 -5.888 2.012 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.110 -7.135 1.571 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.697 -4.777 -1.071 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.172 -5.336 0.536 1.00 0.00 H new ATOM 911 N ALA B 25 -3.145 -7.680 3.198 1.00 0.00 N ATOM 912 CA ALA B 25 -3.479 -8.297 4.478 1.00 0.00 C ATOM 913 C ALA B 25 -4.337 -9.540 4.260 1.00 0.00 C ATOM 914 O ALA B 25 -4.045 -10.614 4.786 1.00 0.00 O ATOM 915 CB ALA B 25 -4.244 -7.313 5.366 1.00 0.00 C ATOM 0 H ALA B 25 -3.504 -6.733 3.074 1.00 0.00 H new ATOM 0 HA ALA B 25 -2.547 -8.578 4.969 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -4.484 -7.791 6.316 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -3.628 -6.433 5.548 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.166 -7.014 4.867 1.00 0.00 H new ATOM 921 N LEU B 26 -5.400 -9.381 3.476 1.00 0.00 N ATOM 922 CA LEU B 26 -6.297 -10.496 3.189 1.00 0.00 C ATOM 923 C LEU B 26 -5.573 -11.561 2.373 1.00 0.00 C ATOM 924 O LEU B 26 -5.833 -12.757 2.516 1.00 0.00 O ATOM 925 CB LEU B 26 -7.519 -10.013 2.406 1.00 0.00 C ATOM 926 CG LEU B 26 -8.579 -9.497 3.381 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.582 -8.620 2.629 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.314 -10.683 4.009 1.00 0.00 C ATOM 0 H LEU B 26 -5.660 -8.500 3.032 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.621 -10.922 4.139 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.231 -9.222 1.713 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.926 -10.828 1.808 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.097 -8.910 4.163 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.337 -8.253 3.324 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.061 -7.775 2.179 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.064 -9.207 1.847 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.069 -10.316 4.704 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.795 -11.269 3.226 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.602 -11.310 4.545 1.00 0.00 H new ATOM 940 N LEU B 27 -4.660 -11.114 1.516 1.00 0.00 N ATOM 941 CA LEU B 27 -3.899 -12.036 0.678 1.00 0.00 C ATOM 942 C LEU B 27 -3.013 -12.928 1.541 1.00 0.00 C ATOM 943 O LEU B 27 -3.106 -14.155 1.491 1.00 0.00 O ATOM 944 CB LEU B 27 -3.018 -11.262 -0.307 1.00 0.00 C ATOM 945 CG LEU B 27 -3.802 -10.997 -1.593 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.128 -9.870 -2.378 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.826 -12.268 -2.445 1.00 0.00 C ATOM 0 H LEU B 27 -4.430 -10.129 1.384 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.607 -12.652 0.124 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.699 -10.319 0.138 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.116 -11.832 -0.529 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.823 -10.706 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.686 -9.681 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.109 -8.965 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.108 -10.161 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.385 -12.081 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.805 -12.558 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.305 -13.072 -1.886 1.00 0.00 H new ATOM 959 N GLU B 28 -2.152 -12.296 2.336 1.00 0.00 N ATOM 960 CA GLU B 28 -1.247 -13.037 3.216 1.00 0.00 C ATOM 961 C GLU B 28 -2.038 -13.931 4.171 1.00 0.00 C ATOM 962 O GLU B 28 -1.683 -15.087 4.398 1.00 0.00 O ATOM 963 CB GLU B 28 -0.388 -12.063 4.031 1.00 0.00 C ATOM 964 CG GLU B 28 0.643 -12.844 4.853 1.00 0.00 C ATOM 965 CD GLU B 28 1.951 -12.063 4.908 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.364 -11.562 3.876 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.523 -11.979 5.983 1.00 0.00 O ATOM 0 H GLU B 28 -2.061 -11.282 2.390 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.603 -13.660 2.595 1.00 0.00 H new ATOM 0 HB2 GLU B 28 0.118 -11.365 3.364 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.021 -11.471 4.692 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.266 -13.013 5.862 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.811 -13.824 4.407 1.00 0.00 H new ATOM 974 N GLN B 29 -3.114 -13.378 4.727 1.00 0.00 N ATOM 975 CA GLN B 29 -3.958 -14.127 5.661 1.00 0.00 C ATOM 976 C GLN B 29 -4.450 -15.427 5.026 1.00 0.00 C ATOM 977 O GLN B 29 -4.651 -16.431 5.709 1.00 0.00 O ATOM 978 CB GLN B 29 -5.168 -13.287 6.077 1.00 0.00 C ATOM 979 CG GLN B 29 -5.632 -13.716 7.470 1.00 0.00 C ATOM 980 CD GLN B 29 -4.563 -13.352 8.496 1.00 0.00 C ATOM 981 OE1 GLN B 29 -3.877 -14.227 9.024 1.00 0.00 O ATOM 982 NE2 GLN B 29 -4.381 -12.100 8.815 1.00 0.00 N ATOM 0 H GLN B 29 -3.422 -12.422 4.550 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.356 -14.362 6.539 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -4.906 -12.229 6.079 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.977 -13.414 5.357 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.573 -13.225 7.719 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.818 -14.790 7.488 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.949 -11.375 8.378 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -3.670 -11.847 9.502 1.00 0.00 H new ATOM 991 N GLN B 30 -4.636 -15.394 3.708 1.00 0.00 N ATOM 992 CA GLN B 30 -5.098 -16.576 2.986 1.00 0.00 C ATOM 993 C GLN B 30 -3.909 -17.435 2.569 1.00 0.00 C ATOM 994 O GLN B 30 -3.992 -18.663 2.533 1.00 0.00 O ATOM 995 CB GLN B 30 -5.881 -16.169 1.735 1.00 0.00 C ATOM 996 CG GLN B 30 -6.939 -17.229 1.428 1.00 0.00 C ATOM 997 CD GLN B 30 -7.543 -16.962 0.053 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.441 -16.130 -0.086 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.103 -17.625 -0.981 1.00 0.00 N ATOM 0 H GLN B 30 -4.476 -14.573 3.125 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.749 -17.146 3.649 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.356 -15.200 1.890 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.203 -16.060 0.888 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.492 -18.223 1.454 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.719 -17.211 2.189 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -6.360 -18.314 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -7.502 -17.454 -1.904 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.798 -16.772 2.260 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.586 -17.476 1.849 1.00 0.00 C ATOM 1010 C VAL B 31 -0.970 -18.205 3.041 1.00 0.00 C ATOM 1011 O VAL B 31 -0.380 -19.276 2.896 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.567 -16.484 1.274 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.660 -17.240 0.753 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.210 -15.701 0.122 1.00 0.00 C ATOM 0 H VAL B 31 -2.711 -15.756 2.286 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.852 -18.203 1.082 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.257 -15.794 2.059 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.379 -16.529 0.346 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.120 -17.794 1.571 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.354 -17.935 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.486 -14.996 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.523 -16.394 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.078 -15.156 0.492 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.117 -17.612 4.223 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.571 -18.210 5.438 1.00 0.00 C ATOM 1026 C ARG B 32 -1.391 -19.432 5.843 1.00 0.00 C ATOM 1027 O ARG B 32 -0.852 -20.431 6.318 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.583 -17.199 6.585 1.00 0.00 C ATOM 1029 CG ARG B 32 0.564 -16.203 6.402 1.00 0.00 C ATOM 1030 CD ARG B 32 1.808 -16.718 7.127 1.00 0.00 C ATOM 1031 NE ARG B 32 2.661 -17.483 6.214 1.00 0.00 N ATOM 1032 CZ ARG B 32 3.917 -17.828 6.532 1.00 0.00 C ATOM 1033 NH1 ARG B 32 4.444 -17.494 7.685 1.00 0.00 N ATOM 1034 NH2 ARG B 32 4.630 -18.510 5.677 1.00 0.00 N ATOM 0 H ARG B 32 -1.604 -16.727 4.365 1.00 0.00 H new ATOM 0 HA ARG B 32 0.456 -18.512 5.233 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.536 -16.671 6.608 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.481 -17.715 7.540 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.778 -16.069 5.342 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.279 -15.227 6.795 1.00 0.00 H new ATOM 0 HD2 ARG B 32 2.369 -15.879 7.539 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.511 -17.346 7.967 1.00 0.00 H new ATOM 0 HE ARG B 32 2.287 -17.762 5.307 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.896 -16.961 8.361 1.00 0.00 H new ATOM 0 HH12 ARG B 32 5.402 -17.767 7.906 1.00 0.00 H new ATOM 0 HH21 ARG B 32 4.231 -18.775 4.777 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.587 -18.777 5.909 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.704 -19.337 5.649 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.595 -20.441 5.997 1.00 0.00 C ATOM 1050 C ALA B 33 -3.403 -21.605 5.031 1.00 0.00 C ATOM 1051 O ALA B 33 -3.156 -22.739 5.443 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.055 -19.985 5.945 1.00 0.00 C ATOM 0 H ALA B 33 -3.170 -18.518 5.258 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.351 -20.765 7.009 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.706 -20.819 6.207 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.207 -19.170 6.653 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.293 -19.641 4.939 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.519 -21.311 3.739 1.00 0.00 N ATOM 1059 CA LEU B 34 -3.357 -22.341 2.716 1.00 0.00 C ATOM 1060 C LEU B 34 -1.938 -22.901 2.747 1.00 0.00 C ATOM 1061 O LEU B 34 -1.014 -22.310 2.189 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.634 -21.760 1.321 1.00 0.00 C ATOM 1063 CG LEU B 34 -5.131 -21.862 0.981 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.562 -23.331 0.957 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.957 -21.102 2.024 1.00 0.00 C ATOM 0 H LEU B 34 -3.722 -20.379 3.378 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.069 -23.139 2.925 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.317 -20.718 1.286 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -3.048 -22.297 0.575 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.300 -21.422 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.623 -23.395 0.716 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.985 -23.867 0.203 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.385 -23.778 1.935 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.016 -21.179 1.776 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.783 -21.533 3.010 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.661 -20.053 2.029 1.00 0.00 H new HETATM 1077 N NH2 B 35 -1.709 -24.020 3.377 1.00 0.00 N TER 1080 NH2 B 35