USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 70 MET CE :methyl 155:sc= -0.334 (180deg=-2.18!) USER MOD Set 1.2: A 73 ASN : amide:sc= -3.89! C(o=-4.2!,f=-17!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.453 F(o=-3.3!,f=-0.45) USER MOD Single : A 20 MET CE :methyl -159:sc= -2.29! (180deg=-3.76!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.745 K(o=-0.74,f=-2!) USER MOD Single : A 29 CYS SG : rot 6:sc= -0.921 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00148) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -3.68! C(o=-3.7!,f=-11!) USER MOD Single : A 61 CYS SG : rot 130:sc= -1.89 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc=-0.00579 X(o=-0.0058,f=-0.28) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -150:sc= -0.743 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 120:sc= 0.00895 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 7.990 15.307 -3.935 1.00 0.00 N ATOM 67 CA ALA A 8 7.357 15.478 -2.633 1.00 0.00 C ATOM 68 C ALA A 8 7.908 14.481 -1.619 1.00 0.00 C ATOM 69 O ALA A 8 8.684 13.592 -1.968 1.00 0.00 O ATOM 70 CB ALA A 8 5.847 15.327 -2.756 1.00 0.00 C ATOM 0 HA ALA A 8 7.584 16.483 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.387 15.457 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.461 16.081 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.611 14.334 -3.139 1.00 0.00 H new ATOM 76 N ARG A 9 7.503 14.637 -0.363 1.00 0.00 N ATOM 77 CA ARG A 9 7.959 13.752 0.702 1.00 0.00 C ATOM 78 C ARG A 9 6.780 13.047 1.365 1.00 0.00 C ATOM 79 O ARG A 9 5.622 13.392 1.126 1.00 0.00 O ATOM 80 CB ARG A 9 8.748 14.542 1.748 1.00 0.00 C ATOM 81 CG ARG A 9 7.907 15.552 2.511 1.00 0.00 C ATOM 82 CD ARG A 9 8.731 16.288 3.555 1.00 0.00 C ATOM 83 NE ARG A 9 9.475 17.405 2.978 1.00 0.00 N ATOM 84 CZ ARG A 9 10.112 18.317 3.704 1.00 0.00 C ATOM 85 NH1 ARG A 9 10.096 18.245 5.028 1.00 0.00 N ATOM 86 NH2 ARG A 9 10.767 19.303 3.105 1.00 0.00 N ATOM 0 H ARG A 9 6.860 15.368 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 9 8.609 12.998 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.195 13.845 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.568 15.064 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.477 16.270 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.075 15.042 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.073 16.658 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.427 15.592 4.024 1.00 0.00 H new ATOM 0 HE ARG A 9 9.507 17.489 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.594 17.488 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.586 18.947 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.782 19.361 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.256 20.003 3.663 1.00 0.00 H new ATOM 100 N PHE A 10 7.081 12.056 2.198 1.00 0.00 N ATOM 101 CA PHE A 10 6.046 11.301 2.895 1.00 0.00 C ATOM 102 C PHE A 10 5.790 11.882 4.282 1.00 0.00 C ATOM 103 O PHE A 10 6.515 11.591 5.234 1.00 0.00 O ATOM 104 CB PHE A 10 6.450 9.830 3.012 1.00 0.00 C ATOM 105 CG PHE A 10 6.478 9.109 1.694 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.312 8.912 0.973 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.671 8.630 1.177 1.00 0.00 C ATOM 108 CE1 PHE A 10 5.335 8.248 -0.239 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.700 7.967 -0.035 1.00 0.00 C ATOM 110 CZ PHE A 10 6.531 7.776 -0.745 1.00 0.00 C ATOM 0 H PHE A 10 8.034 11.757 2.407 1.00 0.00 H new ATOM 0 HA PHE A 10 5.126 11.373 2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.436 9.768 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.754 9.322 3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.375 9.281 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.589 8.777 1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.419 8.098 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.636 7.598 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.552 7.259 -1.693 1.00 0.00 H new ATOM 120 N THR A 11 4.752 12.706 4.390 1.00 0.00 N ATOM 121 CA THR A 11 4.400 13.329 5.660 1.00 0.00 C ATOM 122 C THR A 11 3.641 12.358 6.557 1.00 0.00 C ATOM 123 O THR A 11 3.705 12.453 7.782 1.00 0.00 O ATOM 124 CB THR A 11 3.542 14.591 5.447 1.00 0.00 C ATOM 125 OG1 THR A 11 2.982 15.018 6.693 1.00 0.00 O ATOM 126 CG2 THR A 11 2.426 14.325 4.448 1.00 0.00 C ATOM 0 H THR A 11 4.141 12.957 3.613 1.00 0.00 H new ATOM 0 HA THR A 11 5.335 13.611 6.144 1.00 0.00 H new ATOM 0 HB THR A 11 4.184 15.377 5.049 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.439 15.821 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.834 15.230 4.314 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.857 14.028 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.786 13.525 4.821 1.00 0.00 H new ATOM 134 N GLU A 12 2.924 11.425 5.939 1.00 0.00 N ATOM 135 CA GLU A 12 2.153 10.437 6.684 1.00 0.00 C ATOM 136 C GLU A 12 2.859 9.083 6.684 1.00 0.00 C ATOM 137 O GLU A 12 2.791 8.336 7.659 1.00 0.00 O ATOM 138 CB GLU A 12 0.752 10.293 6.086 1.00 0.00 C ATOM 139 CG GLU A 12 -0.261 9.691 7.045 1.00 0.00 C ATOM 140 CD GLU A 12 -1.471 9.120 6.332 1.00 0.00 C ATOM 141 OE1 GLU A 12 -1.338 8.052 5.699 1.00 0.00 O ATOM 142 OE2 GLU A 12 -2.552 9.742 6.408 1.00 0.00 O ATOM 0 H GLU A 12 2.861 11.333 4.925 1.00 0.00 H new ATOM 0 HA GLU A 12 2.067 10.783 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.400 11.274 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.810 9.670 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.218 8.904 7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.587 10.455 7.750 1.00 0.00 H new ATOM 149 N GLY A 13 3.536 8.775 5.582 1.00 0.00 N ATOM 150 CA GLY A 13 4.243 7.513 5.475 1.00 0.00 C ATOM 151 C GLY A 13 3.305 6.323 5.435 1.00 0.00 C ATOM 152 O GLY A 13 2.139 6.430 5.818 1.00 0.00 O ATOM 0 H GLY A 13 3.607 9.377 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.856 7.519 4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.922 7.408 6.321 1.00 0.00 H new ATOM 156 N LEU A 14 3.811 5.187 4.969 1.00 0.00 N ATOM 157 CA LEU A 14 3.009 3.972 4.879 1.00 0.00 C ATOM 158 C LEU A 14 2.847 3.323 6.250 1.00 0.00 C ATOM 159 O LEU A 14 3.828 3.083 6.954 1.00 0.00 O ATOM 160 CB LEU A 14 3.655 2.983 3.907 1.00 0.00 C ATOM 161 CG LEU A 14 3.262 3.134 2.437 1.00 0.00 C ATOM 162 CD1 LEU A 14 4.252 2.402 1.543 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.850 2.617 2.206 1.00 0.00 C ATOM 0 H LEU A 14 4.773 5.082 4.647 1.00 0.00 H new ATOM 0 HA LEU A 14 2.021 4.245 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.738 3.082 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.403 1.972 4.228 1.00 0.00 H new ATOM 0 HG LEU A 14 3.286 4.193 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.957 2.520 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.249 2.818 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.260 1.343 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.588 2.733 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.799 1.563 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.150 3.185 2.819 1.00 0.00 H new ATOM 175 N ARG A 15 1.603 3.040 6.621 1.00 0.00 N ATOM 176 CA ARG A 15 1.312 2.418 7.907 1.00 0.00 C ATOM 177 C ARG A 15 1.164 0.907 7.759 1.00 0.00 C ATOM 178 O ARG A 15 0.790 0.411 6.696 1.00 0.00 O ATOM 179 CB ARG A 15 0.036 3.010 8.507 1.00 0.00 C ATOM 180 CG ARG A 15 -0.519 2.207 9.673 1.00 0.00 C ATOM 181 CD ARG A 15 0.259 2.472 10.952 1.00 0.00 C ATOM 182 NE ARG A 15 -0.564 2.278 12.143 1.00 0.00 N ATOM 183 CZ ARG A 15 -0.293 2.828 13.321 1.00 0.00 C ATOM 184 NH1 ARG A 15 0.772 3.603 13.466 1.00 0.00 N ATOM 185 NH2 ARG A 15 -1.090 2.604 14.358 1.00 0.00 N ATOM 0 H ARG A 15 0.780 3.232 6.049 1.00 0.00 H new ATOM 0 HA ARG A 15 2.148 2.620 8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.240 4.027 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.724 3.077 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.568 2.461 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.480 1.144 9.436 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.122 1.808 10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.642 3.492 10.938 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.392 1.688 12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.387 3.779 12.671 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.977 4.024 14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.911 2.009 14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.881 3.027 15.262 1.00 0.00 H new ATOM 199 N ASN A 16 1.460 0.180 8.832 1.00 0.00 N ATOM 200 CA ASN A 16 1.360 -1.275 8.820 1.00 0.00 C ATOM 201 C ASN A 16 -0.064 -1.720 8.504 1.00 0.00 C ATOM 202 O ASN A 16 -1.031 -1.109 8.957 1.00 0.00 O ATOM 203 CB ASN A 16 1.797 -1.847 10.170 1.00 0.00 C ATOM 204 CG ASN A 16 2.193 -3.308 10.078 1.00 0.00 C ATOM 205 OD1 ASN A 16 1.258 -4.149 9.651 1.00 0.00 O flip ATOM 206 ND2 ASN A 16 3.327 -3.676 10.387 1.00 0.00 N flip ATOM 0 H ASN A 16 1.771 0.574 9.720 1.00 0.00 H new ATOM 0 HA ASN A 16 2.021 -1.654 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.639 -1.269 10.551 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.984 -1.738 10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.014 -2.995 10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.579 -4.662 10.320 1.00 0.00 H new ATOM 213 N GLU A 17 -0.184 -2.790 7.723 1.00 0.00 N ATOM 214 CA GLU A 17 -1.491 -3.316 7.346 1.00 0.00 C ATOM 215 C GLU A 17 -1.550 -4.827 7.556 1.00 0.00 C ATOM 216 O GLU A 17 -0.530 -5.512 7.496 1.00 0.00 O ATOM 217 CB GLU A 17 -1.798 -2.982 5.884 1.00 0.00 C ATOM 218 CG GLU A 17 -3.284 -2.886 5.581 1.00 0.00 C ATOM 219 CD GLU A 17 -3.960 -4.243 5.542 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.580 -5.069 4.686 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.867 -4.478 6.367 1.00 0.00 O ATOM 0 H GLU A 17 0.607 -3.308 7.340 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.240 -2.847 7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.322 -2.035 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.354 -3.745 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.766 -2.266 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.424 -2.387 4.622 1.00 0.00 H new ATOM 228 N GLU A 18 -2.752 -5.337 7.804 1.00 0.00 N ATOM 229 CA GLU A 18 -2.944 -6.766 8.024 1.00 0.00 C ATOM 230 C GLU A 18 -4.282 -7.229 7.456 1.00 0.00 C ATOM 231 O GLU A 18 -5.322 -6.627 7.719 1.00 0.00 O ATOM 232 CB GLU A 18 -2.874 -7.087 9.519 1.00 0.00 C ATOM 233 CG GLU A 18 -3.209 -8.532 9.847 1.00 0.00 C ATOM 234 CD GLU A 18 -2.738 -8.941 11.229 1.00 0.00 C ATOM 235 OE1 GLU A 18 -1.566 -9.351 11.359 1.00 0.00 O ATOM 236 OE2 GLU A 18 -3.542 -8.852 12.181 1.00 0.00 O ATOM 0 H GLU A 18 -3.607 -4.783 7.858 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.146 -7.298 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.871 -6.863 9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.561 -6.433 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.287 -8.676 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.752 -9.185 9.103 1.00 0.00 H new ATOM 243 N ALA A 19 -4.246 -8.304 6.674 1.00 0.00 N ATOM 244 CA ALA A 19 -5.454 -8.849 6.069 1.00 0.00 C ATOM 245 C ALA A 19 -5.327 -10.353 5.849 1.00 0.00 C ATOM 246 O ALA A 19 -4.278 -10.842 5.433 1.00 0.00 O ATOM 247 CB ALA A 19 -5.750 -8.145 4.753 1.00 0.00 C ATOM 0 H ALA A 19 -3.393 -8.814 6.445 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.283 -8.677 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.655 -8.563 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.893 -7.080 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.914 -8.288 4.068 1.00 0.00 H new ATOM 253 N MET A 20 -6.403 -11.081 6.133 1.00 0.00 N ATOM 254 CA MET A 20 -6.411 -12.529 5.966 1.00 0.00 C ATOM 255 C MET A 20 -6.011 -12.915 4.545 1.00 0.00 C ATOM 256 O MET A 20 -5.947 -12.065 3.657 1.00 0.00 O ATOM 257 CB MET A 20 -7.795 -13.094 6.289 1.00 0.00 C ATOM 258 CG MET A 20 -7.973 -13.465 7.753 1.00 0.00 C ATOM 259 SD MET A 20 -9.316 -14.640 8.013 1.00 0.00 S ATOM 260 CE MET A 20 -8.447 -15.967 8.846 1.00 0.00 C ATOM 0 H MET A 20 -7.280 -10.691 6.480 1.00 0.00 H new ATOM 0 HA MET A 20 -5.683 -12.953 6.658 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.552 -12.359 6.014 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.970 -13.977 5.675 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.044 -13.891 8.131 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.168 -12.562 8.332 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.014 -16.893 8.745 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.461 -16.094 8.398 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.336 -15.723 9.903 1.00 0.00 H new ATOM 270 N GLU A 21 -5.744 -14.200 4.338 1.00 0.00 N ATOM 271 CA GLU A 21 -5.349 -14.696 3.024 1.00 0.00 C ATOM 272 C GLU A 21 -6.526 -14.660 2.053 1.00 0.00 C ATOM 273 O GLU A 21 -7.682 -14.785 2.457 1.00 0.00 O ATOM 274 CB GLU A 21 -4.809 -16.123 3.135 1.00 0.00 C ATOM 275 CG GLU A 21 -4.724 -16.846 1.801 1.00 0.00 C ATOM 276 CD GLU A 21 -3.622 -17.888 1.772 1.00 0.00 C ATOM 277 OE1 GLU A 21 -2.553 -17.639 2.367 1.00 0.00 O ATOM 278 OE2 GLU A 21 -3.829 -18.952 1.152 1.00 0.00 O ATOM 0 H GLU A 21 -5.794 -14.917 5.062 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.563 -14.046 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.817 -16.093 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.449 -16.694 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.679 -17.327 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.552 -16.118 1.008 1.00 0.00 H new ATOM 285 N GLY A 22 -6.222 -14.487 0.771 1.00 0.00 N ATOM 286 CA GLY A 22 -7.264 -14.436 -0.238 1.00 0.00 C ATOM 287 C GLY A 22 -7.909 -13.068 -0.338 1.00 0.00 C ATOM 288 O GLY A 22 -8.487 -12.720 -1.367 1.00 0.00 O ATOM 0 H GLY A 22 -5.273 -14.381 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.842 -14.707 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.028 -15.178 -0.005 1.00 0.00 H new ATOM 292 N ALA A 23 -7.811 -12.290 0.735 1.00 0.00 N ATOM 293 CA ALA A 23 -8.390 -10.952 0.765 1.00 0.00 C ATOM 294 C ALA A 23 -7.618 -10.001 -0.143 1.00 0.00 C ATOM 295 O ALA A 23 -6.644 -10.393 -0.788 1.00 0.00 O ATOM 296 CB ALA A 23 -8.416 -10.420 2.190 1.00 0.00 C ATOM 0 H ALA A 23 -7.336 -12.563 1.595 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.413 -11.016 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.851 -9.420 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.017 -11.081 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.399 -10.376 2.581 1.00 0.00 H new ATOM 302 N THR A 24 -8.058 -8.747 -0.191 1.00 0.00 N ATOM 303 CA THR A 24 -7.410 -7.740 -1.021 1.00 0.00 C ATOM 304 C THR A 24 -6.677 -6.712 -0.167 1.00 0.00 C ATOM 305 O THR A 24 -7.289 -5.795 0.378 1.00 0.00 O ATOM 306 CB THR A 24 -8.429 -7.012 -1.919 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.316 -7.960 -2.522 1.00 0.00 O ATOM 308 CG2 THR A 24 -7.721 -6.213 -3.002 1.00 0.00 C ATOM 0 H THR A 24 -8.861 -8.405 0.336 1.00 0.00 H new ATOM 0 HA THR A 24 -6.691 -8.264 -1.650 1.00 0.00 H new ATOM 0 HB THR A 24 -9.002 -6.324 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.961 -7.489 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.460 -5.708 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.068 -5.472 -2.540 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.126 -6.885 -3.620 1.00 0.00 H new ATOM 316 N ALA A 25 -5.362 -6.872 -0.056 1.00 0.00 N ATOM 317 CA ALA A 25 -4.545 -5.956 0.729 1.00 0.00 C ATOM 318 C ALA A 25 -4.647 -4.532 0.194 1.00 0.00 C ATOM 319 O ALA A 25 -4.352 -4.273 -0.974 1.00 0.00 O ATOM 320 CB ALA A 25 -3.094 -6.416 0.736 1.00 0.00 C ATOM 0 H ALA A 25 -4.840 -7.628 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.921 -5.960 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.495 -5.722 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.030 -7.413 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.716 -6.443 -0.286 1.00 0.00 H new ATOM 326 N THR A 26 -5.069 -3.610 1.054 1.00 0.00 N ATOM 327 CA THR A 26 -5.213 -2.212 0.667 1.00 0.00 C ATOM 328 C THR A 26 -4.382 -1.304 1.566 1.00 0.00 C ATOM 329 O THR A 26 -4.685 -1.139 2.749 1.00 0.00 O ATOM 330 CB THR A 26 -6.685 -1.762 0.721 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.516 -2.724 0.062 1.00 0.00 O ATOM 332 CG2 THR A 26 -6.860 -0.400 0.067 1.00 0.00 C ATOM 0 H THR A 26 -5.317 -3.807 2.024 1.00 0.00 H new ATOM 0 HA THR A 26 -4.854 -2.130 -0.359 1.00 0.00 H new ATOM 0 HB THR A 26 -6.979 -1.684 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.450 -2.431 0.102 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.908 -0.104 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.249 0.336 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.548 -0.455 -0.976 1.00 0.00 H new ATOM 340 N LEU A 27 -3.334 -0.717 1.000 1.00 0.00 N ATOM 341 CA LEU A 27 -2.459 0.176 1.751 1.00 0.00 C ATOM 342 C LEU A 27 -2.953 1.617 1.672 1.00 0.00 C ATOM 343 O LEU A 27 -3.945 1.906 1.003 1.00 0.00 O ATOM 344 CB LEU A 27 -1.027 0.086 1.220 1.00 0.00 C ATOM 345 CG LEU A 27 -0.364 -1.289 1.308 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.898 -1.328 0.460 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.047 -1.636 2.755 1.00 0.00 C ATOM 0 H LEU A 27 -3.069 -0.843 0.023 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.473 -0.137 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.027 0.401 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.412 0.800 1.768 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.060 -2.033 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.356 -2.314 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.644 -1.124 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.600 -0.574 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.424 -2.618 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.631 -0.889 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.969 -1.650 3.336 1.00 0.00 H new ATOM 359 N GLN A 28 -2.254 2.516 2.357 1.00 0.00 N ATOM 360 CA GLN A 28 -2.622 3.927 2.363 1.00 0.00 C ATOM 361 C GLN A 28 -1.412 4.804 2.666 1.00 0.00 C ATOM 362 O GLN A 28 -0.529 4.417 3.433 1.00 0.00 O ATOM 363 CB GLN A 28 -3.724 4.185 3.392 1.00 0.00 C ATOM 364 CG GLN A 28 -4.653 5.327 3.014 1.00 0.00 C ATOM 365 CD GLN A 28 -4.177 6.666 3.542 1.00 0.00 C ATOM 366 OE1 GLN A 28 -3.287 6.730 4.392 1.00 0.00 O ATOM 367 NE2 GLN A 28 -4.767 7.744 3.041 1.00 0.00 N ATOM 0 H GLN A 28 -1.430 2.293 2.915 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.994 4.183 1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.312 3.276 3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.265 4.405 4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.737 5.378 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.651 5.122 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.500 7.644 2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.488 8.672 3.358 1.00 0.00 H new ATOM 376 N CYS A 29 -1.376 5.985 2.059 1.00 0.00 N ATOM 377 CA CYS A 29 -0.273 6.917 2.263 1.00 0.00 C ATOM 378 C CYS A 29 -0.621 8.299 1.723 1.00 0.00 C ATOM 379 O CYS A 29 -1.231 8.425 0.661 1.00 0.00 O ATOM 380 CB CYS A 29 0.995 6.395 1.585 1.00 0.00 C ATOM 381 SG CYS A 29 0.691 5.489 0.050 1.00 0.00 S ATOM 0 H CYS A 29 -2.098 6.320 1.421 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.095 7.001 3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.654 7.237 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.524 5.743 2.280 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.572 5.558 -0.252 1.00 0.00 H new ATOM 387 N GLU A 30 -0.232 9.334 2.461 1.00 0.00 N ATOM 388 CA GLU A 30 -0.506 10.707 2.056 1.00 0.00 C ATOM 389 C GLU A 30 0.791 11.486 1.860 1.00 0.00 C ATOM 390 O GLU A 30 1.728 11.363 2.650 1.00 0.00 O ATOM 391 CB GLU A 30 -1.380 11.405 3.100 1.00 0.00 C ATOM 392 CG GLU A 30 -2.029 12.683 2.595 1.00 0.00 C ATOM 393 CD GLU A 30 -2.503 13.581 3.721 1.00 0.00 C ATOM 394 OE1 GLU A 30 -1.664 14.308 4.294 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.713 13.558 4.030 1.00 0.00 O ATOM 0 H GLU A 30 0.274 9.247 3.342 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.039 10.679 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.159 10.717 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.772 11.637 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.316 13.228 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.876 12.429 1.957 1.00 0.00 H new ATOM 402 N LEU A 31 0.839 12.288 0.802 1.00 0.00 N ATOM 403 CA LEU A 31 2.021 13.088 0.501 1.00 0.00 C ATOM 404 C LEU A 31 1.762 14.566 0.773 1.00 0.00 C ATOM 405 O LEU A 31 0.675 15.076 0.503 1.00 0.00 O ATOM 406 CB LEU A 31 2.435 12.891 -0.959 1.00 0.00 C ATOM 407 CG LEU A 31 2.819 11.467 -1.361 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.565 11.245 -2.844 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.276 11.190 -1.020 1.00 0.00 C ATOM 0 H LEU A 31 0.073 12.402 0.138 1.00 0.00 H new ATOM 0 HA LEU A 31 2.831 12.755 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.613 13.218 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.280 13.547 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 31 2.197 10.771 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.844 10.226 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.508 11.400 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.161 11.949 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.531 10.172 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.915 11.893 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.427 11.307 0.053 1.00 0.00 H new ATOM 421 N SER A 32 2.770 15.249 1.308 1.00 0.00 N ATOM 422 CA SER A 32 2.651 16.669 1.618 1.00 0.00 C ATOM 423 C SER A 32 1.828 17.390 0.555 1.00 0.00 C ATOM 424 O SER A 32 1.146 18.374 0.843 1.00 0.00 O ATOM 425 CB SER A 32 4.037 17.306 1.725 1.00 0.00 C ATOM 426 OG SER A 32 4.547 17.200 3.043 1.00 0.00 O ATOM 0 H SER A 32 3.677 14.842 1.535 1.00 0.00 H new ATOM 0 HA SER A 32 2.139 16.765 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.719 16.819 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.981 18.356 1.437 1.00 0.00 H new ATOM 0 HG SER A 32 5.435 17.613 3.084 1.00 0.00 H new ATOM 432 N LYS A 33 1.897 16.894 -0.675 1.00 0.00 N ATOM 433 CA LYS A 33 1.158 17.488 -1.783 1.00 0.00 C ATOM 434 C LYS A 33 0.967 16.481 -2.912 1.00 0.00 C ATOM 435 O LYS A 33 1.780 15.574 -3.092 1.00 0.00 O ATOM 436 CB LYS A 33 1.892 18.725 -2.307 1.00 0.00 C ATOM 437 CG LYS A 33 3.393 18.533 -2.435 1.00 0.00 C ATOM 438 CD LYS A 33 4.124 19.864 -2.470 1.00 0.00 C ATOM 439 CE LYS A 33 5.404 19.776 -3.288 1.00 0.00 C ATOM 440 NZ LYS A 33 6.495 19.094 -2.539 1.00 0.00 N ATOM 0 H LYS A 33 2.458 16.081 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 33 0.176 17.784 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.484 18.993 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.697 19.563 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.757 17.939 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.613 17.972 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.472 20.627 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.362 20.177 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.207 19.236 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.727 20.779 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.345 19.039 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.713 19.632 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.191 18.134 -2.280 1.00 0.00 H new ATOM 454 N ALA A 34 -0.110 16.647 -3.672 1.00 0.00 N ATOM 455 CA ALA A 34 -0.405 15.755 -4.786 1.00 0.00 C ATOM 456 C ALA A 34 0.823 15.552 -5.667 1.00 0.00 C ATOM 457 O ALA A 34 1.430 16.515 -6.133 1.00 0.00 O ATOM 458 CB ALA A 34 -1.562 16.302 -5.609 1.00 0.00 C ATOM 0 H ALA A 34 -0.793 17.392 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.691 14.786 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.771 15.625 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.447 16.389 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.298 17.284 -6.001 1.00 0.00 H new ATOM 464 N ALA A 35 1.184 14.292 -5.890 1.00 0.00 N ATOM 465 CA ALA A 35 2.339 13.963 -6.716 1.00 0.00 C ATOM 466 C ALA A 35 2.336 12.488 -7.101 1.00 0.00 C ATOM 467 O ALA A 35 1.861 11.629 -6.359 1.00 0.00 O ATOM 468 CB ALA A 35 3.627 14.318 -5.987 1.00 0.00 C ATOM 0 H ALA A 35 0.693 13.483 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 35 2.279 14.551 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.482 14.067 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.639 15.386 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.684 13.756 -5.055 1.00 0.00 H new ATOM 474 N PRO A 36 2.879 12.185 -8.290 1.00 0.00 N ATOM 475 CA PRO A 36 2.950 10.813 -8.801 1.00 0.00 C ATOM 476 C PRO A 36 3.940 9.955 -8.021 1.00 0.00 C ATOM 477 O PRO A 36 5.055 10.386 -7.728 1.00 0.00 O ATOM 478 CB PRO A 36 3.424 10.996 -10.245 1.00 0.00 C ATOM 479 CG PRO A 36 4.159 12.292 -10.241 1.00 0.00 C ATOM 480 CD PRO A 36 3.464 13.159 -9.227 1.00 0.00 C ATOM 0 HA PRO A 36 1.994 10.296 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.070 10.175 -10.557 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.583 11.020 -10.938 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.206 12.146 -9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.140 12.754 -11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.162 13.830 -8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.698 13.783 -9.689 1.00 0.00 H new ATOM 488 N VAL A 37 3.525 8.737 -7.686 1.00 0.00 N ATOM 489 CA VAL A 37 4.376 7.817 -6.941 1.00 0.00 C ATOM 490 C VAL A 37 4.598 6.523 -7.716 1.00 0.00 C ATOM 491 O VAL A 37 4.119 6.371 -8.839 1.00 0.00 O ATOM 492 CB VAL A 37 3.770 7.482 -5.565 1.00 0.00 C ATOM 493 CG1 VAL A 37 3.679 8.731 -4.703 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.403 6.835 -5.729 1.00 0.00 C ATOM 0 H VAL A 37 2.604 8.365 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 37 5.333 8.318 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 37 4.425 6.771 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.249 8.474 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.676 9.146 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.047 9.469 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.989 6.605 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.736 7.521 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.503 5.915 -6.305 1.00 0.00 H new ATOM 504 N GLU A 38 5.328 5.593 -7.107 1.00 0.00 N ATOM 505 CA GLU A 38 5.613 4.311 -7.741 1.00 0.00 C ATOM 506 C GLU A 38 5.893 3.237 -6.695 1.00 0.00 C ATOM 507 O GLU A 38 6.879 3.311 -5.962 1.00 0.00 O ATOM 508 CB GLU A 38 6.809 4.440 -8.688 1.00 0.00 C ATOM 509 CG GLU A 38 7.103 3.173 -9.473 1.00 0.00 C ATOM 510 CD GLU A 38 8.496 3.167 -10.071 1.00 0.00 C ATOM 511 OE1 GLU A 38 8.905 4.206 -10.631 1.00 0.00 O ATOM 512 OE2 GLU A 38 9.178 2.125 -9.979 1.00 0.00 O ATOM 0 H GLU A 38 5.732 5.703 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 38 4.734 4.015 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.622 5.255 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.692 4.712 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.989 2.309 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.369 3.066 -10.271 1.00 0.00 H new ATOM 519 N TRP A 39 5.017 2.240 -6.630 1.00 0.00 N ATOM 520 CA TRP A 39 5.169 1.151 -5.673 1.00 0.00 C ATOM 521 C TRP A 39 6.192 0.133 -6.165 1.00 0.00 C ATOM 522 O TRP A 39 6.332 -0.088 -7.367 1.00 0.00 O ATOM 523 CB TRP A 39 3.823 0.464 -5.433 1.00 0.00 C ATOM 524 CG TRP A 39 2.731 1.416 -5.049 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.109 2.321 -5.861 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.134 1.558 -3.755 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.161 3.017 -5.150 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.156 2.567 -3.856 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.328 0.930 -2.522 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.379 2.961 -2.770 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.556 1.322 -1.446 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.590 2.329 -1.575 1.00 0.00 C ATOM 0 H TRP A 39 4.195 2.164 -7.229 1.00 0.00 H new ATOM 0 HA TRP A 39 5.527 1.573 -4.734 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.529 -0.069 -6.337 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.939 -0.282 -4.646 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.330 2.468 -6.908 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.559 3.750 -5.525 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.069 0.152 -2.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.364 3.738 -2.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.699 0.844 -0.488 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.001 2.612 -0.715 1.00 0.00 H new ATOM 543 N ARG A 40 6.904 -0.484 -5.227 1.00 0.00 N ATOM 544 CA ARG A 40 7.915 -1.478 -5.566 1.00 0.00 C ATOM 545 C ARG A 40 8.038 -2.527 -4.464 1.00 0.00 C ATOM 546 O ARG A 40 8.476 -2.227 -3.353 1.00 0.00 O ATOM 547 CB ARG A 40 9.268 -0.803 -5.795 1.00 0.00 C ATOM 548 CG ARG A 40 9.346 -0.020 -7.096 1.00 0.00 C ATOM 549 CD ARG A 40 10.744 0.527 -7.334 1.00 0.00 C ATOM 550 NE ARG A 40 11.702 -0.532 -7.642 1.00 0.00 N ATOM 551 CZ ARG A 40 13.019 -0.376 -7.569 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.532 0.790 -7.200 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.825 -1.387 -7.864 1.00 0.00 N ATOM 0 H ARG A 40 6.799 -0.313 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 40 7.605 -1.976 -6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.474 -0.130 -4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.049 -1.563 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.060 -0.664 -7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.632 0.803 -7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.718 1.242 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.076 1.070 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 40 11.340 -1.441 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.915 1.569 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.544 0.907 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.434 -2.285 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.836 -1.266 -7.808 1.00 0.00 H new ATOM 567 N LYS A 41 7.647 -3.757 -4.779 1.00 0.00 N ATOM 568 CA LYS A 41 7.714 -4.851 -3.817 1.00 0.00 C ATOM 569 C LYS A 41 9.055 -5.573 -3.906 1.00 0.00 C ATOM 570 O LYS A 41 9.558 -5.835 -4.998 1.00 0.00 O ATOM 571 CB LYS A 41 6.572 -5.841 -4.060 1.00 0.00 C ATOM 572 CG LYS A 41 6.866 -6.851 -5.155 1.00 0.00 C ATOM 573 CD LYS A 41 5.645 -7.696 -5.476 1.00 0.00 C ATOM 574 CE LYS A 41 5.465 -8.821 -4.468 1.00 0.00 C ATOM 575 NZ LYS A 41 4.797 -10.007 -5.074 1.00 0.00 N ATOM 0 H LYS A 41 7.280 -4.022 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 41 7.615 -4.429 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.361 -6.374 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.671 -5.286 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.195 -6.329 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.686 -7.498 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.756 -7.065 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.744 -8.115 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.438 -9.114 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.874 -8.462 -3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.693 -10.752 -4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.858 -9.733 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.373 -10.365 -5.862 1.00 0.00 H new ATOM 589 N GLY A 42 9.627 -5.894 -2.750 1.00 0.00 N ATOM 590 CA GLY A 42 10.903 -6.584 -2.720 1.00 0.00 C ATOM 591 C GLY A 42 11.859 -6.082 -3.785 1.00 0.00 C ATOM 592 O GLY A 42 12.268 -6.837 -4.668 1.00 0.00 O ATOM 0 H GLY A 42 9.229 -5.688 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.359 -6.456 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.738 -7.653 -2.859 1.00 0.00 H new ATOM 596 N LEU A 43 12.215 -4.805 -3.704 1.00 0.00 N ATOM 597 CA LEU A 43 13.127 -4.202 -4.669 1.00 0.00 C ATOM 598 C LEU A 43 12.742 -4.585 -6.095 1.00 0.00 C ATOM 599 O LEU A 43 13.606 -4.800 -6.944 1.00 0.00 O ATOM 600 CB LEU A 43 14.565 -4.637 -4.382 1.00 0.00 C ATOM 601 CG LEU A 43 15.339 -3.779 -3.381 1.00 0.00 C ATOM 602 CD1 LEU A 43 16.707 -4.383 -3.106 1.00 0.00 C ATOM 603 CD2 LEU A 43 15.477 -2.354 -3.895 1.00 0.00 C ATOM 0 H LEU A 43 11.886 -4.167 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 43 13.056 -3.119 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.546 -5.662 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.115 -4.647 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 43 14.781 -3.754 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.243 -3.759 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.586 -5.385 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.273 -4.439 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.031 -1.758 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.013 -2.360 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.487 -1.922 -4.040 1.00 0.00 H new ATOM 615 N GLU A 44 11.440 -4.667 -6.349 1.00 0.00 N ATOM 616 CA GLU A 44 10.942 -5.023 -7.673 1.00 0.00 C ATOM 617 C GLU A 44 10.043 -3.923 -8.230 1.00 0.00 C ATOM 618 O GLU A 44 9.585 -3.049 -7.494 1.00 0.00 O ATOM 619 CB GLU A 44 10.173 -6.344 -7.614 1.00 0.00 C ATOM 620 CG GLU A 44 10.111 -7.072 -8.947 1.00 0.00 C ATOM 621 CD GLU A 44 9.783 -8.544 -8.793 1.00 0.00 C ATOM 622 OE1 GLU A 44 10.683 -9.313 -8.395 1.00 0.00 O ATOM 623 OE2 GLU A 44 8.627 -8.927 -9.070 1.00 0.00 O ATOM 0 H GLU A 44 10.712 -4.492 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 44 11.799 -5.139 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.641 -6.995 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.158 -6.149 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.359 -6.600 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.068 -6.968 -9.458 1.00 0.00 H new ATOM 630 N ALA A 45 9.795 -3.973 -9.534 1.00 0.00 N ATOM 631 CA ALA A 45 8.950 -2.983 -10.190 1.00 0.00 C ATOM 632 C ALA A 45 7.532 -3.510 -10.381 1.00 0.00 C ATOM 633 O ALA A 45 7.332 -4.609 -10.901 1.00 0.00 O ATOM 634 CB ALA A 45 9.550 -2.581 -11.530 1.00 0.00 C ATOM 0 H ALA A 45 10.167 -4.689 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 45 8.899 -2.104 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.908 -1.841 -12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.540 -2.154 -11.372 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.631 -3.459 -12.170 1.00 0.00 H new ATOM 640 N LEU A 46 6.551 -2.722 -9.956 1.00 0.00 N ATOM 641 CA LEU A 46 5.150 -3.111 -10.079 1.00 0.00 C ATOM 642 C LEU A 46 4.445 -2.276 -11.144 1.00 0.00 C ATOM 643 O LEU A 46 4.866 -1.161 -11.451 1.00 0.00 O ATOM 644 CB LEU A 46 4.437 -2.953 -8.735 1.00 0.00 C ATOM 645 CG LEU A 46 4.992 -3.784 -7.579 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.258 -3.459 -6.287 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.889 -5.270 -7.892 1.00 0.00 C ATOM 0 H LEU A 46 6.699 -1.810 -9.523 1.00 0.00 H new ATOM 0 HA LEU A 46 5.114 -4.158 -10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.472 -1.902 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.387 -3.212 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 46 6.044 -3.532 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.667 -4.060 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.383 -2.402 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.198 -3.682 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.289 -5.846 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.844 -5.537 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.460 -5.492 -8.793 1.00 0.00 H new ATOM 659 N ARG A 47 3.370 -2.823 -11.701 1.00 0.00 N ATOM 660 CA ARG A 47 2.606 -2.129 -12.730 1.00 0.00 C ATOM 661 C ARG A 47 1.111 -2.184 -12.427 1.00 0.00 C ATOM 662 O ARG A 47 0.669 -2.946 -11.567 1.00 0.00 O ATOM 663 CB ARG A 47 2.882 -2.744 -14.103 1.00 0.00 C ATOM 664 CG ARG A 47 2.484 -4.207 -14.206 1.00 0.00 C ATOM 665 CD ARG A 47 2.470 -4.681 -15.651 1.00 0.00 C ATOM 666 NE ARG A 47 2.254 -6.122 -15.753 1.00 0.00 N ATOM 667 CZ ARG A 47 1.858 -6.728 -16.866 1.00 0.00 C ATOM 668 NH1 ARG A 47 1.638 -6.023 -17.967 1.00 0.00 N ATOM 669 NH2 ARG A 47 1.683 -8.044 -16.880 1.00 0.00 N ATOM 0 H ARG A 47 3.008 -3.745 -11.457 1.00 0.00 H new ATOM 0 HA ARG A 47 2.920 -1.085 -12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.344 -2.175 -14.861 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.944 -2.649 -14.328 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.180 -4.816 -13.629 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.497 -4.348 -13.766 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.685 -4.157 -16.197 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.416 -4.422 -16.127 1.00 0.00 H new ATOM 0 HE ARG A 47 2.416 -6.694 -14.924 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.773 -5.012 -17.961 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.334 -6.492 -18.820 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.853 -8.590 -16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.379 -8.509 -17.735 1.00 0.00 H new ATOM 683 N ASP A 48 0.338 -1.371 -13.140 1.00 0.00 N ATOM 684 CA ASP A 48 -1.107 -1.327 -12.948 1.00 0.00 C ATOM 685 C ASP A 48 -1.826 -2.076 -14.066 1.00 0.00 C ATOM 686 O ASP A 48 -1.665 -1.758 -15.243 1.00 0.00 O ATOM 687 CB ASP A 48 -1.592 0.122 -12.894 1.00 0.00 C ATOM 688 CG ASP A 48 -0.862 1.014 -13.880 1.00 0.00 C ATOM 689 OD1 ASP A 48 0.188 1.578 -13.505 1.00 0.00 O ATOM 690 OD2 ASP A 48 -1.340 1.147 -15.025 1.00 0.00 O ATOM 0 H ASP A 48 0.688 -0.734 -13.856 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.338 -1.814 -12.001 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.661 0.152 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.454 0.511 -11.885 1.00 0.00 H new ATOM 695 N GLY A 49 -2.620 -3.073 -13.688 1.00 0.00 N ATOM 696 CA GLY A 49 -3.351 -3.853 -14.670 1.00 0.00 C ATOM 697 C GLY A 49 -4.515 -4.608 -14.061 1.00 0.00 C ATOM 698 O GLY A 49 -5.551 -4.019 -13.750 1.00 0.00 O ATOM 0 H GLY A 49 -2.770 -3.355 -12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.721 -3.191 -15.453 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.672 -4.561 -15.146 1.00 0.00 H new ATOM 702 N ASP A 50 -4.347 -5.914 -13.891 1.00 0.00 N ATOM 703 CA ASP A 50 -5.393 -6.752 -13.315 1.00 0.00 C ATOM 704 C ASP A 50 -4.992 -7.246 -11.929 1.00 0.00 C ATOM 705 O ASP A 50 -5.746 -7.106 -10.966 1.00 0.00 O ATOM 706 CB ASP A 50 -5.684 -7.942 -14.230 1.00 0.00 C ATOM 707 CG ASP A 50 -6.530 -9.001 -13.551 1.00 0.00 C ATOM 708 OD1 ASP A 50 -7.718 -8.729 -13.281 1.00 0.00 O ATOM 709 OD2 ASP A 50 -6.003 -10.103 -13.288 1.00 0.00 O ATOM 0 H ASP A 50 -3.496 -6.416 -14.144 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.296 -6.149 -13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.196 -7.591 -15.126 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.743 -8.386 -14.554 1.00 0.00 H new ATOM 714 N LYS A 51 -3.801 -7.827 -11.835 1.00 0.00 N ATOM 715 CA LYS A 51 -3.298 -8.343 -10.567 1.00 0.00 C ATOM 716 C LYS A 51 -3.309 -7.257 -9.496 1.00 0.00 C ATOM 717 O LYS A 51 -3.637 -7.518 -8.338 1.00 0.00 O ATOM 718 CB LYS A 51 -1.879 -8.888 -10.742 1.00 0.00 C ATOM 719 CG LYS A 51 -1.207 -9.265 -9.433 1.00 0.00 C ATOM 720 CD LYS A 51 -1.564 -10.680 -9.011 1.00 0.00 C ATOM 721 CE LYS A 51 -1.262 -10.916 -7.539 1.00 0.00 C ATOM 722 NZ LYS A 51 -1.678 -12.276 -7.098 1.00 0.00 N ATOM 0 H LYS A 51 -3.165 -7.953 -12.623 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.954 -9.152 -10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.913 -9.764 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.271 -8.139 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.126 -9.178 -9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.508 -8.565 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.622 -10.861 -9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.005 -11.393 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.194 -10.788 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.777 -10.166 -6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.455 -12.397 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.702 -12.390 -7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.168 -12.992 -7.654 1.00 0.00 H new ATOM 736 N TYR A 52 -2.950 -6.040 -9.889 1.00 0.00 N ATOM 737 CA TYR A 52 -2.917 -4.916 -8.962 1.00 0.00 C ATOM 738 C TYR A 52 -3.769 -3.760 -9.478 1.00 0.00 C ATOM 739 O TYR A 52 -3.892 -3.555 -10.685 1.00 0.00 O ATOM 740 CB TYR A 52 -1.478 -4.447 -8.746 1.00 0.00 C ATOM 741 CG TYR A 52 -0.548 -5.543 -8.274 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.411 -5.829 -6.922 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.193 -6.290 -9.181 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.438 -6.829 -6.486 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.042 -7.293 -8.754 1.00 0.00 C ATOM 746 CZ TYR A 52 1.161 -7.558 -7.406 1.00 0.00 C ATOM 747 OH TYR A 52 2.008 -8.555 -6.977 1.00 0.00 O ATOM 0 H TYR A 52 -2.678 -5.807 -10.844 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.329 -5.251 -8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.095 -4.034 -9.679 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.474 -3.639 -8.015 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.977 -5.261 -6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.104 -6.083 -10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.534 -7.038 -5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.609 -7.866 -9.472 1.00 0.00 H new ATOM 0 HH TYR A 52 2.441 -8.972 -7.751 1.00 0.00 H new ATOM 757 N SER A 53 -4.353 -3.005 -8.553 1.00 0.00 N ATOM 758 CA SER A 53 -5.196 -1.871 -8.912 1.00 0.00 C ATOM 759 C SER A 53 -4.679 -0.585 -8.273 1.00 0.00 C ATOM 760 O SER A 53 -4.956 -0.303 -7.107 1.00 0.00 O ATOM 761 CB SER A 53 -6.641 -2.124 -8.478 1.00 0.00 C ATOM 762 OG SER A 53 -7.548 -1.365 -9.259 1.00 0.00 O ATOM 0 H SER A 53 -4.258 -3.158 -7.549 1.00 0.00 H new ATOM 0 HA SER A 53 -5.165 -1.756 -9.995 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.873 -3.185 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.758 -1.866 -7.425 1.00 0.00 H new ATOM 0 HG SER A 53 -8.465 -1.545 -8.963 1.00 0.00 H new ATOM 768 N LEU A 54 -3.925 0.189 -9.045 1.00 0.00 N ATOM 769 CA LEU A 54 -3.367 1.446 -8.556 1.00 0.00 C ATOM 770 C LEU A 54 -4.382 2.577 -8.680 1.00 0.00 C ATOM 771 O LEU A 54 -4.683 3.036 -9.782 1.00 0.00 O ATOM 772 CB LEU A 54 -2.096 1.798 -9.331 1.00 0.00 C ATOM 773 CG LEU A 54 -0.841 1.007 -8.957 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.411 1.330 -7.535 1.00 0.00 C ATOM 775 CD2 LEU A 54 -1.085 -0.486 -9.117 1.00 0.00 C ATOM 0 H LEU A 54 -3.686 -0.031 -10.012 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.119 1.320 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.290 1.652 -10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.889 2.859 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.036 1.298 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.483 0.758 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.195 2.395 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.213 1.068 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.182 -1.033 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.904 -0.793 -8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.344 -0.703 -10.153 1.00 0.00 H new ATOM 787 N ARG A 55 -4.905 3.023 -7.543 1.00 0.00 N ATOM 788 CA ARG A 55 -5.886 4.102 -7.525 1.00 0.00 C ATOM 789 C ARG A 55 -5.350 5.311 -6.764 1.00 0.00 C ATOM 790 O ARG A 55 -5.696 5.528 -5.603 1.00 0.00 O ATOM 791 CB ARG A 55 -7.191 3.623 -6.888 1.00 0.00 C ATOM 792 CG ARG A 55 -8.264 4.697 -6.816 1.00 0.00 C ATOM 793 CD ARG A 55 -8.925 4.916 -8.167 1.00 0.00 C ATOM 794 NE ARG A 55 -8.223 5.919 -8.963 1.00 0.00 N ATOM 795 CZ ARG A 55 -8.242 7.219 -8.690 1.00 0.00 C ATOM 796 NH1 ARG A 55 -8.923 7.671 -7.646 1.00 0.00 N ATOM 797 NH2 ARG A 55 -7.578 8.070 -9.462 1.00 0.00 N ATOM 0 H ARG A 55 -4.666 2.654 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.081 4.400 -8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.574 2.776 -7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.983 3.262 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.018 4.411 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.822 5.632 -6.470 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.953 3.974 -8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.958 5.229 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.689 5.604 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.434 7.020 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.936 8.670 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.053 7.726 -10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.593 9.068 -9.252 1.00 0.00 H new ATOM 811 N GLN A 56 -4.505 6.094 -7.426 1.00 0.00 N ATOM 812 CA GLN A 56 -3.921 7.280 -6.811 1.00 0.00 C ATOM 813 C GLN A 56 -4.946 8.404 -6.715 1.00 0.00 C ATOM 814 O GLN A 56 -5.893 8.463 -7.500 1.00 0.00 O ATOM 815 CB GLN A 56 -2.705 7.750 -7.612 1.00 0.00 C ATOM 816 CG GLN A 56 -1.724 8.579 -6.800 1.00 0.00 C ATOM 817 CD GLN A 56 -2.039 10.062 -6.841 1.00 0.00 C ATOM 818 OE1 GLN A 56 -3.130 10.465 -7.245 1.00 0.00 O ATOM 819 NE2 GLN A 56 -1.083 10.882 -6.421 1.00 0.00 N ATOM 0 H GLN A 56 -4.209 5.929 -8.388 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.603 7.016 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.186 6.879 -8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.047 8.338 -8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.735 8.238 -5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.715 8.415 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.194 10.504 -6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.238 11.890 -6.425 1.00 0.00 H new ATOM 828 N ASP A 57 -4.752 9.294 -5.748 1.00 0.00 N ATOM 829 CA ASP A 57 -5.661 10.418 -5.549 1.00 0.00 C ATOM 830 C ASP A 57 -4.897 11.662 -5.108 1.00 0.00 C ATOM 831 O ASP A 57 -3.669 11.653 -5.027 1.00 0.00 O ATOM 832 CB ASP A 57 -6.725 10.063 -4.509 1.00 0.00 C ATOM 833 CG ASP A 57 -7.921 9.360 -5.122 1.00 0.00 C ATOM 834 OD1 ASP A 57 -7.875 8.120 -5.257 1.00 0.00 O ATOM 835 OD2 ASP A 57 -8.902 10.051 -5.466 1.00 0.00 O ATOM 0 H ASP A 57 -3.974 9.259 -5.090 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.150 10.631 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.283 9.423 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.058 10.973 -4.009 1.00 0.00 H new ATOM 840 N GLY A 58 -5.632 12.733 -4.825 1.00 0.00 N ATOM 841 CA GLY A 58 -5.007 13.971 -4.398 1.00 0.00 C ATOM 842 C GLY A 58 -4.203 13.804 -3.123 1.00 0.00 C ATOM 843 O GLY A 58 -4.769 13.673 -2.038 1.00 0.00 O ATOM 0 H GLY A 58 -6.650 12.765 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.354 14.337 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.776 14.728 -4.243 1.00 0.00 H new ATOM 847 N ALA A 59 -2.881 13.809 -3.255 1.00 0.00 N ATOM 848 CA ALA A 59 -1.998 13.657 -2.104 1.00 0.00 C ATOM 849 C ALA A 59 -2.372 12.427 -1.285 1.00 0.00 C ATOM 850 O ALA A 59 -2.097 12.360 -0.086 1.00 0.00 O ATOM 851 CB ALA A 59 -2.044 14.906 -1.236 1.00 0.00 C ATOM 0 H ALA A 59 -2.397 13.917 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.981 13.521 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.381 14.779 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.722 15.768 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.063 15.067 -0.884 1.00 0.00 H new ATOM 857 N VAL A 60 -3.000 11.454 -1.937 1.00 0.00 N ATOM 858 CA VAL A 60 -3.410 10.226 -1.269 1.00 0.00 C ATOM 859 C VAL A 60 -3.342 9.034 -2.218 1.00 0.00 C ATOM 860 O VAL A 60 -4.090 8.962 -3.194 1.00 0.00 O ATOM 861 CB VAL A 60 -4.841 10.342 -0.710 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.240 9.060 0.006 1.00 0.00 C ATOM 863 CG2 VAL A 60 -4.953 11.540 0.221 1.00 0.00 C ATOM 0 H VAL A 60 -3.236 11.493 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.716 10.069 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.527 10.493 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.254 9.160 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.200 8.225 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.552 8.875 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.970 11.607 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.257 11.422 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.712 12.451 -0.327 1.00 0.00 H new ATOM 873 N CYS A 61 -2.442 8.103 -1.925 1.00 0.00 N ATOM 874 CA CYS A 61 -2.276 6.913 -2.753 1.00 0.00 C ATOM 875 C CYS A 61 -2.824 5.678 -2.046 1.00 0.00 C ATOM 876 O CYS A 61 -2.543 5.449 -0.870 1.00 0.00 O ATOM 877 CB CYS A 61 -0.800 6.707 -3.095 1.00 0.00 C ATOM 878 SG CYS A 61 0.010 8.171 -3.781 1.00 0.00 S ATOM 0 H CYS A 61 -1.816 8.148 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.838 7.060 -3.675 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.269 6.400 -2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.715 5.889 -3.810 1.00 0.00 H new ATOM 0 HG CYS A 61 1.117 8.396 -3.138 1.00 0.00 H new ATOM 884 N GLU A 62 -3.607 4.886 -2.771 1.00 0.00 N ATOM 885 CA GLU A 62 -4.196 3.675 -2.211 1.00 0.00 C ATOM 886 C GLU A 62 -3.959 2.480 -3.130 1.00 0.00 C ATOM 887 O GLU A 62 -4.544 2.387 -4.210 1.00 0.00 O ATOM 888 CB GLU A 62 -5.697 3.869 -1.985 1.00 0.00 C ATOM 889 CG GLU A 62 -6.366 2.689 -1.299 1.00 0.00 C ATOM 890 CD GLU A 62 -7.681 3.065 -0.644 1.00 0.00 C ATOM 891 OE1 GLU A 62 -7.653 3.560 0.502 1.00 0.00 O ATOM 892 OE2 GLU A 62 -8.739 2.863 -1.277 1.00 0.00 O ATOM 0 H GLU A 62 -3.848 5.061 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.714 3.476 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.853 4.764 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.181 4.042 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.541 1.900 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.692 2.282 -0.545 1.00 0.00 H new ATOM 899 N LEU A 63 -3.098 1.567 -2.694 1.00 0.00 N ATOM 900 CA LEU A 63 -2.782 0.377 -3.476 1.00 0.00 C ATOM 901 C LEU A 63 -3.728 -0.769 -3.130 1.00 0.00 C ATOM 902 O LEU A 63 -4.296 -0.808 -2.039 1.00 0.00 O ATOM 903 CB LEU A 63 -1.334 -0.049 -3.230 1.00 0.00 C ATOM 904 CG LEU A 63 -0.937 -1.422 -3.775 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.891 -1.400 -5.295 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.407 -1.853 -3.205 1.00 0.00 C ATOM 0 H LEU A 63 -2.606 1.628 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.908 0.621 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.676 0.699 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.151 -0.040 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.690 -2.147 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.607 -2.385 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.874 -1.136 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.159 -0.663 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.674 -2.832 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.170 -1.127 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.340 -1.909 -2.119 1.00 0.00 H new ATOM 918 N GLN A 64 -3.889 -1.699 -4.065 1.00 0.00 N ATOM 919 CA GLN A 64 -4.764 -2.846 -3.858 1.00 0.00 C ATOM 920 C GLN A 64 -4.178 -4.101 -4.497 1.00 0.00 C ATOM 921 O GLN A 64 -3.870 -4.116 -5.689 1.00 0.00 O ATOM 922 CB GLN A 64 -6.153 -2.567 -4.436 1.00 0.00 C ATOM 923 CG GLN A 64 -7.075 -1.833 -3.476 1.00 0.00 C ATOM 924 CD GLN A 64 -8.537 -1.964 -3.856 1.00 0.00 C ATOM 925 OE1 GLN A 64 -8.997 -1.348 -4.817 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.275 -2.770 -3.102 1.00 0.00 N ATOM 0 H GLN A 64 -3.425 -1.681 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.852 -3.014 -2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.047 -1.978 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.616 -3.512 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.929 -2.223 -2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.803 -0.778 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.852 -3.261 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.265 -2.898 -3.310 1.00 0.00 H new ATOM 935 N ILE A 65 -4.026 -5.151 -3.696 1.00 0.00 N ATOM 936 CA ILE A 65 -3.477 -6.410 -4.184 1.00 0.00 C ATOM 937 C ILE A 65 -4.529 -7.513 -4.164 1.00 0.00 C ATOM 938 O ILE A 65 -4.863 -8.048 -3.106 1.00 0.00 O ATOM 939 CB ILE A 65 -2.264 -6.857 -3.348 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.203 -5.755 -3.317 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.680 -8.146 -3.907 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.362 -5.760 -2.060 1.00 0.00 C ATOM 0 H ILE A 65 -4.275 -5.154 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.156 -6.237 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.596 -7.044 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.549 -5.867 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.694 -4.787 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.823 -8.449 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.437 -8.930 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.361 -7.984 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.368 -4.952 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.005 -5.617 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.158 -6.714 -1.974 1.00 0.00 H new ATOM 954 N HIS A 66 -5.049 -7.850 -5.340 1.00 0.00 N ATOM 955 CA HIS A 66 -6.062 -8.892 -5.458 1.00 0.00 C ATOM 956 C HIS A 66 -5.429 -10.278 -5.373 1.00 0.00 C ATOM 957 O HIS A 66 -4.506 -10.596 -6.120 1.00 0.00 O ATOM 958 CB HIS A 66 -6.823 -8.747 -6.776 1.00 0.00 C ATOM 959 CG HIS A 66 -7.528 -7.433 -6.918 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.881 -7.278 -6.705 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.059 -6.208 -7.254 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.214 -6.015 -6.904 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.126 -5.345 -7.238 1.00 0.00 N ATOM 0 H HIS A 66 -4.785 -7.416 -6.225 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.761 -8.779 -4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.125 -8.867 -7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.553 -9.552 -6.855 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.525 -8.022 -6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.036 -5.957 -7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.207 -5.601 -6.810 1.00 0.00 H new ATOM 971 N GLY A 67 -5.933 -11.098 -4.455 1.00 0.00 N ATOM 972 CA GLY A 67 -5.404 -12.439 -4.289 1.00 0.00 C ATOM 973 C GLY A 67 -4.232 -12.485 -3.328 1.00 0.00 C ATOM 974 O GLY A 67 -3.080 -12.598 -3.747 1.00 0.00 O ATOM 0 H GLY A 67 -6.697 -10.857 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.194 -13.096 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.090 -12.825 -5.259 1.00 0.00 H new ATOM 978 N LEU A 68 -4.526 -12.397 -2.035 1.00 0.00 N ATOM 979 CA LEU A 68 -3.488 -12.427 -1.011 1.00 0.00 C ATOM 980 C LEU A 68 -3.035 -13.858 -0.737 1.00 0.00 C ATOM 981 O LEU A 68 -3.829 -14.795 -0.809 1.00 0.00 O ATOM 982 CB LEU A 68 -3.998 -11.785 0.280 1.00 0.00 C ATOM 983 CG LEU A 68 -3.965 -10.257 0.328 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.713 -9.745 1.549 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.528 -9.755 0.332 1.00 0.00 C ATOM 0 H LEU A 68 -5.474 -12.304 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.633 -11.859 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.025 -12.112 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.406 -12.168 1.111 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.461 -9.874 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.679 -8.656 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.751 -10.075 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.246 -10.137 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.523 -8.666 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.008 -10.148 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.022 -10.092 -0.573 1.00 0.00 H new ATOM 997 N ALA A 69 -1.755 -14.017 -0.419 1.00 0.00 N ATOM 998 CA ALA A 69 -1.198 -15.333 -0.129 1.00 0.00 C ATOM 999 C ALA A 69 0.187 -15.217 0.497 1.00 0.00 C ATOM 1000 O ALA A 69 0.783 -14.140 0.514 1.00 0.00 O ATOM 1001 CB ALA A 69 -1.137 -16.171 -1.398 1.00 0.00 C ATOM 0 H ALA A 69 -1.084 -13.251 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.852 -15.827 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.719 -17.151 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.142 -16.291 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.506 -15.672 -2.134 1.00 0.00 H new ATOM 1007 N MET A 70 0.694 -16.332 1.013 1.00 0.00 N ATOM 1008 CA MET A 70 2.010 -16.354 1.641 1.00 0.00 C ATOM 1009 C MET A 70 3.018 -15.555 0.820 1.00 0.00 C ATOM 1010 O MET A 70 3.704 -14.679 1.345 1.00 0.00 O ATOM 1011 CB MET A 70 2.497 -17.795 1.804 1.00 0.00 C ATOM 1012 CG MET A 70 1.729 -18.580 2.856 1.00 0.00 C ATOM 1013 SD MET A 70 1.883 -17.867 4.505 1.00 0.00 S ATOM 1014 CE MET A 70 0.212 -17.283 4.778 1.00 0.00 C ATOM 0 H MET A 70 0.214 -17.232 1.009 1.00 0.00 H new ATOM 0 HA MET A 70 1.923 -15.894 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.414 -18.309 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.554 -17.785 2.070 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.676 -18.618 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.092 -19.608 2.873 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.015 -17.231 5.849 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.097 -16.292 4.339 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.494 -17.970 4.312 1.00 0.00 H new ATOM 1024 N ALA A 71 3.101 -15.864 -0.470 1.00 0.00 N ATOM 1025 CA ALA A 71 4.023 -15.173 -1.363 1.00 0.00 C ATOM 1026 C ALA A 71 3.980 -13.666 -1.138 1.00 0.00 C ATOM 1027 O ALA A 71 5.019 -13.011 -1.057 1.00 0.00 O ATOM 1028 CB ALA A 71 3.699 -15.502 -2.813 1.00 0.00 C ATOM 0 H ALA A 71 2.541 -16.588 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 71 5.033 -15.518 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.395 -14.979 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.789 -16.577 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.681 -15.186 -3.039 1.00 0.00 H new ATOM 1034 N ASP A 72 2.772 -13.122 -1.039 1.00 0.00 N ATOM 1035 CA ASP A 72 2.593 -11.691 -0.822 1.00 0.00 C ATOM 1036 C ASP A 72 3.339 -11.232 0.427 1.00 0.00 C ATOM 1037 O ASP A 72 3.971 -10.177 0.432 1.00 0.00 O ATOM 1038 CB ASP A 72 1.107 -11.354 -0.697 1.00 0.00 C ATOM 1039 CG ASP A 72 0.355 -11.553 -1.998 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.489 -10.697 -2.898 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.365 -12.566 -2.118 1.00 0.00 O ATOM 0 H ASP A 72 1.902 -13.650 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 72 3.005 -11.164 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.660 -11.979 0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.999 -10.319 -0.373 1.00 0.00 H new ATOM 1046 N ASN A 73 3.259 -12.034 1.485 1.00 0.00 N ATOM 1047 CA ASN A 73 3.925 -11.709 2.741 1.00 0.00 C ATOM 1048 C ASN A 73 5.326 -11.161 2.488 1.00 0.00 C ATOM 1049 O ASN A 73 6.100 -11.736 1.724 1.00 0.00 O ATOM 1050 CB ASN A 73 4.004 -12.948 3.635 1.00 0.00 C ATOM 1051 CG ASN A 73 2.683 -13.690 3.712 1.00 0.00 C ATOM 1052 OD1 ASN A 73 1.849 -13.591 2.812 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.487 -14.438 4.792 1.00 0.00 N ATOM 0 H ASN A 73 2.740 -12.912 1.497 1.00 0.00 H new ATOM 0 HA ASN A 73 3.339 -10.941 3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.773 -13.620 3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.310 -12.650 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.617 -14.960 4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.206 -14.491 5.513 1.00 0.00 H new ATOM 1060 N GLY A 74 5.646 -10.045 3.137 1.00 0.00 N ATOM 1061 CA GLY A 74 6.953 -9.439 2.970 1.00 0.00 C ATOM 1062 C GLY A 74 6.943 -7.951 3.261 1.00 0.00 C ATOM 1063 O GLY A 74 6.224 -7.489 4.146 1.00 0.00 O ATOM 0 H GLY A 74 5.023 -9.550 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.666 -9.931 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.299 -9.604 1.950 1.00 0.00 H new ATOM 1067 N VAL A 75 7.745 -7.198 2.514 1.00 0.00 N ATOM 1068 CA VAL A 75 7.826 -5.754 2.696 1.00 0.00 C ATOM 1069 C VAL A 75 7.697 -5.024 1.364 1.00 0.00 C ATOM 1070 O VAL A 75 8.227 -5.470 0.346 1.00 0.00 O ATOM 1071 CB VAL A 75 9.152 -5.346 3.366 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.306 -6.167 2.809 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.407 -3.858 3.180 1.00 0.00 C ATOM 0 H VAL A 75 8.348 -7.565 1.777 1.00 0.00 H new ATOM 0 HA VAL A 75 6.997 -5.470 3.345 1.00 0.00 H new ATOM 0 HB VAL A 75 9.076 -5.547 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.234 -5.865 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.125 -7.225 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.386 -6.000 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.348 -3.587 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.463 -3.629 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.593 -3.290 3.631 1.00 0.00 H new ATOM 1083 N TYR A 76 6.991 -3.899 1.378 1.00 0.00 N ATOM 1084 CA TYR A 76 6.790 -3.107 0.171 1.00 0.00 C ATOM 1085 C TYR A 76 7.446 -1.736 0.303 1.00 0.00 C ATOM 1086 O TYR A 76 7.438 -1.132 1.375 1.00 0.00 O ATOM 1087 CB TYR A 76 5.296 -2.944 -0.115 1.00 0.00 C ATOM 1088 CG TYR A 76 4.611 -4.233 -0.510 1.00 0.00 C ATOM 1089 CD1 TYR A 76 4.257 -5.176 0.447 1.00 0.00 C ATOM 1090 CD2 TYR A 76 4.318 -4.508 -1.840 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.632 -6.355 0.090 1.00 0.00 C ATOM 1092 CE2 TYR A 76 3.692 -5.683 -2.206 1.00 0.00 C ATOM 1093 CZ TYR A 76 3.351 -6.604 -1.237 1.00 0.00 C ATOM 1094 OH TYR A 76 2.728 -7.777 -1.597 1.00 0.00 O ATOM 0 H TYR A 76 6.548 -3.515 2.213 1.00 0.00 H new ATOM 0 HA TYR A 76 7.257 -3.635 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.807 -2.539 0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.165 -2.213 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.474 -4.984 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.585 -3.790 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.365 -7.078 0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.471 -5.880 -3.245 1.00 0.00 H new ATOM 0 HH TYR A 76 2.602 -7.796 -2.569 1.00 0.00 H new ATOM 1104 N SER A 77 8.015 -1.251 -0.796 1.00 0.00 N ATOM 1105 CA SER A 77 8.679 0.047 -0.804 1.00 0.00 C ATOM 1106 C SER A 77 8.026 0.985 -1.815 1.00 0.00 C ATOM 1107 O SER A 77 7.921 0.663 -2.999 1.00 0.00 O ATOM 1108 CB SER A 77 10.165 -0.119 -1.130 1.00 0.00 C ATOM 1109 OG SER A 77 10.677 -1.320 -0.580 1.00 0.00 O ATOM 0 H SER A 77 8.029 -1.738 -1.692 1.00 0.00 H new ATOM 0 HA SER A 77 8.579 0.485 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.305 -0.122 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.724 0.731 -0.738 1.00 0.00 H new ATOM 0 HG SER A 77 11.627 -1.403 -0.804 1.00 0.00 H new ATOM 1115 N CYS A 78 7.591 2.146 -1.340 1.00 0.00 N ATOM 1116 CA CYS A 78 6.947 3.132 -2.201 1.00 0.00 C ATOM 1117 C CYS A 78 7.877 4.311 -2.467 1.00 0.00 C ATOM 1118 O CYS A 78 8.261 5.033 -1.546 1.00 0.00 O ATOM 1119 CB CYS A 78 5.648 3.626 -1.563 1.00 0.00 C ATOM 1120 SG CYS A 78 4.651 4.681 -2.641 1.00 0.00 S ATOM 0 H CYS A 78 7.672 2.428 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 78 6.717 2.652 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.052 2.764 -1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.889 4.178 -0.654 1.00 0.00 H new ATOM 0 HG CYS A 78 3.572 5.046 -2.014 1.00 0.00 H new ATOM 1126 N VAL A 79 8.238 4.500 -3.732 1.00 0.00 N ATOM 1127 CA VAL A 79 9.124 5.591 -4.120 1.00 0.00 C ATOM 1128 C VAL A 79 8.339 6.744 -4.737 1.00 0.00 C ATOM 1129 O VAL A 79 7.407 6.528 -5.512 1.00 0.00 O ATOM 1130 CB VAL A 79 10.193 5.117 -5.122 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.337 6.117 -5.196 1.00 0.00 C ATOM 1132 CG2 VAL A 79 10.704 3.736 -4.742 1.00 0.00 C ATOM 0 H VAL A 79 7.930 3.911 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 79 9.617 5.937 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 79 9.736 5.051 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.082 5.765 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.954 7.085 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.795 6.219 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.459 3.417 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.144 3.772 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.876 3.028 -4.747 1.00 0.00 H new ATOM 1142 N CYS A 80 8.722 7.967 -4.389 1.00 0.00 N ATOM 1143 CA CYS A 80 8.054 9.154 -4.908 1.00 0.00 C ATOM 1144 C CYS A 80 9.069 10.153 -5.456 1.00 0.00 C ATOM 1145 O CYS A 80 9.186 10.333 -6.667 1.00 0.00 O ATOM 1146 CB CYS A 80 7.213 9.812 -3.813 1.00 0.00 C ATOM 1147 SG CYS A 80 6.308 11.280 -4.359 1.00 0.00 S ATOM 0 H CYS A 80 9.492 8.162 -3.749 1.00 0.00 H new ATOM 0 HA CYS A 80 7.399 8.845 -5.722 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.501 9.082 -3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 80 7.866 10.088 -2.985 1.00 0.00 H new ATOM 0 HG CYS A 80 6.164 12.098 -3.359 1.00 0.00 H new ATOM 1153 N GLY A 81 9.799 10.802 -4.554 1.00 0.00 N ATOM 1154 CA GLY A 81 10.793 11.776 -4.966 1.00 0.00 C ATOM 1155 C GLY A 81 11.917 11.919 -3.959 1.00 0.00 C ATOM 1156 O GLY A 81 11.724 12.477 -2.879 1.00 0.00 O ATOM 0 H GLY A 81 9.720 10.671 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.208 11.481 -5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.312 12.744 -5.109 1.00 0.00 H new ATOM 1160 N GLN A 82 13.094 11.412 -4.312 1.00 0.00 N ATOM 1161 CA GLN A 82 14.252 11.484 -3.429 1.00 0.00 C ATOM 1162 C GLN A 82 13.940 10.865 -2.070 1.00 0.00 C ATOM 1163 O GLN A 82 14.501 11.267 -1.052 1.00 0.00 O ATOM 1164 CB GLN A 82 14.695 12.937 -3.251 1.00 0.00 C ATOM 1165 CG GLN A 82 15.203 13.579 -4.532 1.00 0.00 C ATOM 1166 CD GLN A 82 16.604 13.127 -4.895 1.00 0.00 C ATOM 1167 OE1 GLN A 82 16.799 12.386 -5.859 1.00 0.00 O ATOM 1168 NE2 GLN A 82 17.589 13.573 -4.124 1.00 0.00 N ATOM 0 H GLN A 82 13.271 10.947 -5.203 1.00 0.00 H new ATOM 0 HA GLN A 82 15.063 10.918 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.856 13.520 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.481 12.979 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.524 13.337 -5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.193 14.663 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.382 14.186 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.553 13.303 -4.321 1.00 0.00 H new ATOM 1177 N GLU A 83 13.042 9.885 -2.064 1.00 0.00 N ATOM 1178 CA GLU A 83 12.655 9.213 -0.829 1.00 0.00 C ATOM 1179 C GLU A 83 11.974 7.880 -1.126 1.00 0.00 C ATOM 1180 O GLU A 83 11.733 7.538 -2.284 1.00 0.00 O ATOM 1181 CB GLU A 83 11.721 10.104 -0.008 1.00 0.00 C ATOM 1182 CG GLU A 83 10.347 10.283 -0.631 1.00 0.00 C ATOM 1183 CD GLU A 83 9.287 10.651 0.389 1.00 0.00 C ATOM 1184 OE1 GLU A 83 9.622 10.730 1.590 1.00 0.00 O ATOM 1185 OE2 GLU A 83 8.123 10.860 -0.012 1.00 0.00 O ATOM 0 H GLU A 83 12.569 9.539 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 83 13.559 9.019 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.606 9.675 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.184 11.083 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.397 11.060 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.057 9.360 -1.134 1.00 0.00 H new ATOM 1192 N ARG A 84 11.666 7.131 -0.072 1.00 0.00 N ATOM 1193 CA ARG A 84 11.015 5.836 -0.219 1.00 0.00 C ATOM 1194 C ARG A 84 10.610 5.273 1.141 1.00 0.00 C ATOM 1195 O ARG A 84 11.441 5.131 2.039 1.00 0.00 O ATOM 1196 CB ARG A 84 11.943 4.852 -0.933 1.00 0.00 C ATOM 1197 CG ARG A 84 13.017 4.264 -0.033 1.00 0.00 C ATOM 1198 CD ARG A 84 13.946 3.339 -0.804 1.00 0.00 C ATOM 1199 NE ARG A 84 15.240 3.188 -0.143 1.00 0.00 N ATOM 1200 CZ ARG A 84 16.334 2.756 -0.760 1.00 0.00 C ATOM 1201 NH1 ARG A 84 16.291 2.434 -2.046 1.00 0.00 N ATOM 1202 NH2 ARG A 84 17.474 2.645 -0.091 1.00 0.00 N ATOM 0 H ARG A 84 11.857 7.400 0.893 1.00 0.00 H new ATOM 0 HA ARG A 84 10.115 5.977 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.346 4.041 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.421 5.359 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.596 5.070 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.548 3.713 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.477 2.361 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.096 3.732 -1.810 1.00 0.00 H new ATOM 0 HE ARG A 84 15.307 3.427 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.416 2.518 -2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.133 2.103 -2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.511 2.891 0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.314 2.313 -0.566 1.00 0.00 H new ATOM 1216 N THR A 85 9.327 4.956 1.286 1.00 0.00 N ATOM 1217 CA THR A 85 8.811 4.411 2.535 1.00 0.00 C ATOM 1218 C THR A 85 8.690 2.893 2.465 1.00 0.00 C ATOM 1219 O THR A 85 8.526 2.323 1.386 1.00 0.00 O ATOM 1220 CB THR A 85 7.435 5.009 2.883 1.00 0.00 C ATOM 1221 OG1 THR A 85 7.012 4.548 4.171 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.399 4.627 1.837 1.00 0.00 C ATOM 0 H THR A 85 8.626 5.068 0.553 1.00 0.00 H new ATOM 0 HA THR A 85 9.524 4.680 3.315 1.00 0.00 H new ATOM 0 HB THR A 85 7.529 6.095 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.887 5.315 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.435 5.061 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.709 5.005 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.309 3.542 1.794 1.00 0.00 H new ATOM 1230 N SER A 86 8.771 2.243 3.622 1.00 0.00 N ATOM 1231 CA SER A 86 8.674 0.790 3.690 1.00 0.00 C ATOM 1232 C SER A 86 7.653 0.363 4.741 1.00 0.00 C ATOM 1233 O SER A 86 7.509 1.006 5.780 1.00 0.00 O ATOM 1234 CB SER A 86 10.039 0.180 4.013 1.00 0.00 C ATOM 1235 OG SER A 86 10.934 0.330 2.924 1.00 0.00 O ATOM 0 H SER A 86 8.903 2.700 4.524 1.00 0.00 H new ATOM 0 HA SER A 86 8.343 0.427 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.455 0.660 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.922 -0.878 4.249 1.00 0.00 H new ATOM 0 HG SER A 86 11.800 -0.066 3.155 1.00 0.00 H new ATOM 1241 N ALA A 87 6.946 -0.727 4.461 1.00 0.00 N ATOM 1242 CA ALA A 87 5.940 -1.242 5.382 1.00 0.00 C ATOM 1243 C ALA A 87 5.935 -2.767 5.393 1.00 0.00 C ATOM 1244 O ALA A 87 6.620 -3.407 4.594 1.00 0.00 O ATOM 1245 CB ALA A 87 4.563 -0.711 5.010 1.00 0.00 C ATOM 0 H ALA A 87 7.051 -1.270 3.604 1.00 0.00 H new ATOM 0 HA ALA A 87 6.192 -0.898 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.821 -1.104 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.567 0.378 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.313 -1.027 3.997 1.00 0.00 H new ATOM 1251 N THR A 88 5.159 -3.345 6.304 1.00 0.00 N ATOM 1252 CA THR A 88 5.066 -4.795 6.421 1.00 0.00 C ATOM 1253 C THR A 88 3.614 -5.256 6.407 1.00 0.00 C ATOM 1254 O THR A 88 2.793 -4.780 7.193 1.00 0.00 O ATOM 1255 CB THR A 88 5.742 -5.299 7.710 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.099 -4.847 7.761 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.705 -6.818 7.782 1.00 0.00 C ATOM 0 H THR A 88 4.585 -2.831 6.972 1.00 0.00 H new ATOM 0 HA THR A 88 5.585 -5.216 5.560 1.00 0.00 H new ATOM 0 HB THR A 88 5.194 -4.897 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.521 -5.170 8.584 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.188 -7.151 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.669 -7.158 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.231 -7.236 6.924 1.00 0.00 H new ATOM 1265 N LEU A 89 3.301 -6.187 5.512 1.00 0.00 N ATOM 1266 CA LEU A 89 1.946 -6.714 5.397 1.00 0.00 C ATOM 1267 C LEU A 89 1.863 -8.130 5.958 1.00 0.00 C ATOM 1268 O LEU A 89 2.760 -8.947 5.746 1.00 0.00 O ATOM 1269 CB LEU A 89 1.496 -6.705 3.935 1.00 0.00 C ATOM 1270 CG LEU A 89 0.150 -7.369 3.643 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.993 -6.414 3.949 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.088 -7.832 2.195 1.00 0.00 C ATOM 0 H LEU A 89 3.968 -6.592 4.855 1.00 0.00 H new ATOM 0 HA LEU A 89 1.283 -6.073 5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.449 -5.670 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.261 -7.201 3.337 1.00 0.00 H new ATOM 0 HG LEU A 89 0.049 -8.242 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.943 -6.903 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.959 -6.131 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.897 -5.522 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.877 -8.302 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.211 -6.975 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.885 -8.551 2.009 1.00 0.00 H new ATOM 1284 N THR A 90 0.779 -8.416 6.673 1.00 0.00 N ATOM 1285 CA THR A 90 0.578 -9.733 7.263 1.00 0.00 C ATOM 1286 C THR A 90 -0.573 -10.468 6.587 1.00 0.00 C ATOM 1287 O THR A 90 -1.693 -9.960 6.519 1.00 0.00 O ATOM 1288 CB THR A 90 0.294 -9.634 8.774 1.00 0.00 C ATOM 1289 OG1 THR A 90 1.505 -9.356 9.483 1.00 0.00 O ATOM 1290 CG2 THR A 90 -0.320 -10.925 9.294 1.00 0.00 C ATOM 0 H THR A 90 0.027 -7.752 6.857 1.00 0.00 H new ATOM 0 HA THR A 90 1.501 -10.292 7.111 1.00 0.00 H new ATOM 0 HB THR A 90 -0.415 -8.822 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.315 -9.293 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.512 -10.832 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.257 -11.118 8.772 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.369 -11.752 9.120 1.00 0.00 H new ATOM 1298 N VAL A 91 -0.292 -11.668 6.089 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.306 -12.475 5.420 1.00 0.00 C ATOM 1300 C VAL A 91 -1.572 -13.767 6.184 1.00 0.00 C ATOM 1301 O VAL A 91 -0.745 -14.679 6.188 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.887 -12.820 3.979 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.961 -13.651 3.295 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.599 -11.552 3.190 1.00 0.00 C ATOM 0 H VAL A 91 0.629 -12.103 6.136 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.218 -11.879 5.392 1.00 0.00 H new ATOM 0 HB VAL A 91 0.027 -13.412 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.647 -13.885 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.113 -14.577 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.894 -13.088 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.304 -11.815 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.495 -10.931 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.209 -11.000 3.671 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.732 -13.839 6.828 1.00 0.00 N ATOM 1315 CA ARG A 92 -3.108 -15.020 7.596 1.00 0.00 C ATOM 1316 C ARG A 92 -3.630 -16.122 6.679 1.00 0.00 C ATOM 1317 O ARG A 92 -4.399 -15.861 5.754 1.00 0.00 O ATOM 1318 CB ARG A 92 -4.171 -14.661 8.637 1.00 0.00 C ATOM 1319 CG ARG A 92 -3.597 -14.077 9.917 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.006 -15.159 10.807 1.00 0.00 C ATOM 1321 NE ARG A 92 -1.594 -15.393 10.519 1.00 0.00 N ATOM 1322 CZ ARG A 92 -0.627 -14.539 10.836 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -0.920 -13.399 11.448 1.00 0.00 N ATOM 1324 NH2 ARG A 92 0.635 -14.823 10.541 1.00 0.00 N ATOM 0 H ARG A 92 -3.428 -13.093 6.833 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.218 -15.388 8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.867 -13.944 8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.745 -15.555 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.827 -13.346 9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.380 -13.546 10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.120 -14.871 11.852 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.563 -16.086 10.669 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.336 -16.260 10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.889 -13.177 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.176 -12.745 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.864 -15.698 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.376 -14.166 10.785 1.00 0.00 H new ATOM 1338 N ALA A 93 -3.206 -17.353 6.942 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.631 -18.495 6.141 1.00 0.00 C ATOM 1340 C ALA A 93 -4.960 -19.051 6.641 1.00 0.00 C ATOM 1341 O ALA A 93 -5.131 -19.299 7.836 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.563 -19.578 6.157 1.00 0.00 C ATOM 0 H ALA A 93 -2.568 -17.586 7.703 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.772 -18.156 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.894 -20.424 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.635 -19.180 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.393 -19.906 7.182 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.898 -19.245 5.721 1.00 0.00 N ATOM 1349 CA LEU A 94 -7.213 -19.773 6.069 1.00 0.00 C ATOM 1350 C LEU A 94 -7.192 -21.297 6.125 1.00 0.00 C ATOM 1351 O LEU A 94 -6.509 -21.961 5.346 1.00 0.00 O ATOM 1352 CB LEU A 94 -8.258 -19.303 5.055 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.255 -17.808 4.732 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -9.164 -17.516 3.548 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -8.684 -17.000 5.948 1.00 0.00 C ATOM 0 H LEU A 94 -5.773 -19.045 4.729 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.478 -19.396 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.109 -19.855 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.246 -19.571 5.430 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.240 -17.515 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.149 -16.448 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.813 -18.067 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.182 -17.824 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.676 -15.938 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.690 -17.296 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.993 -17.186 6.771 1.00 0.00 H new