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 56 GLN : amide:sc= -0.193 X(o=-0.4,f=0) USER MOD Set 1.2: A 61 CYS SG : rot 180:sc= -0.204 USER MOD Set 2.1: A 24 THR OG1 : rot -139:sc= -0.106 USER MOD Set 2.2: A 53 SER OG : rot 119:sc= 0.533 USER MOD Set 2.3: A 66 HIS : no HE2:sc= 0.484 K(o=0.91,f=-0.93) USER MOD Single : A 11 THR OG1 : rot -22:sc= 0.128 USER MOD Single : A 16 ASN :FLIP amide:sc= 0.0435 F(o=-0.64,f=0.043) USER MOD Single : A 20 MET CE :methyl -119:sc= -0.22 (180deg=-1.04) USER MOD Single : A 26 THR OG1 : rot -40:sc= -0.0198! USER MOD Single : A 28 GLN : amide:sc= -2.5 K(o=-2.5,f=-6.4!) USER MOD Single : A 29 CYS SG : rot -19:sc= -0.293 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.797) 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 64 GLN : amide:sc= -1.16 K(o=-1.2,f=-3!) USER MOD Single : A 70 MET CE :methyl -108:sc= -2.75! (180deg=-6.11!) USER MOD Single : A 73 ASN : amide:sc= -5.39! C(o=-5.4!,f=-7.4!) USER MOD Single : A 76 TYR OH : rot -55:sc= 0.132 USER MOD Single : A 77 SER OG : rot 180:sc= -0.478 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -110:sc= -0.737! USER MOD Single : A 82 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.7!) USER MOD Single : A 85 THR OG1 : rot 140:sc= 0 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 7.775 15.763 -3.704 1.00 0.00 N ATOM 67 CA ALA A 8 6.983 15.688 -2.483 1.00 0.00 C ATOM 68 C ALA A 8 7.645 14.778 -1.454 1.00 0.00 C ATOM 69 O ALA A 8 8.305 13.801 -1.809 1.00 0.00 O ATOM 70 CB ALA A 8 5.577 15.198 -2.796 1.00 0.00 C ATOM 0 HA ALA A 8 6.921 16.689 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.996 15.147 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.097 15.888 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.629 14.207 -3.248 1.00 0.00 H new ATOM 76 N ARG A 9 7.465 15.105 -0.179 1.00 0.00 N ATOM 77 CA ARG A 9 8.047 14.318 0.902 1.00 0.00 C ATOM 78 C ARG A 9 6.960 13.607 1.702 1.00 0.00 C ATOM 79 O ARG A 9 5.893 14.166 1.954 1.00 0.00 O ATOM 80 CB ARG A 9 8.872 15.214 1.827 1.00 0.00 C ATOM 81 CG ARG A 9 8.061 16.312 2.495 1.00 0.00 C ATOM 82 CD ARG A 9 8.957 17.408 3.050 1.00 0.00 C ATOM 83 NE ARG A 9 9.653 16.985 4.261 1.00 0.00 N ATOM 84 CZ ARG A 9 10.156 17.832 5.153 1.00 0.00 C ATOM 85 NH1 ARG A 9 10.040 19.140 4.970 1.00 0.00 N ATOM 86 NH2 ARG A 9 10.777 17.370 6.232 1.00 0.00 N ATOM 0 H ARG A 9 6.921 15.910 0.131 1.00 0.00 H new ATOM 0 HA ARG A 9 8.700 13.566 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.336 14.597 2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.679 15.669 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.364 16.740 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.464 15.886 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.687 17.696 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.357 18.292 3.267 1.00 0.00 H new ATOM 0 HE ARG A 9 9.759 15.985 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.564 19.499 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.427 19.787 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.868 16.364 6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.163 18.021 6.916 1.00 0.00 H new ATOM 100 N PHE A 10 7.239 12.369 2.099 1.00 0.00 N ATOM 101 CA PHE A 10 6.285 11.580 2.870 1.00 0.00 C ATOM 102 C PHE A 10 6.045 12.205 4.241 1.00 0.00 C ATOM 103 O PHE A 10 6.822 12.000 5.175 1.00 0.00 O ATOM 104 CB PHE A 10 6.791 10.145 3.032 1.00 0.00 C ATOM 105 CG PHE A 10 6.767 9.354 1.755 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.583 8.812 1.282 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.930 9.152 1.028 1.00 0.00 C ATOM 108 CE1 PHE A 10 5.559 8.083 0.108 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.912 8.424 -0.147 1.00 0.00 C ATOM 110 CZ PHE A 10 6.725 7.890 -0.608 1.00 0.00 C ATOM 0 H PHE A 10 8.118 11.891 1.899 1.00 0.00 H new ATOM 0 HA PHE A 10 5.340 11.565 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.811 10.169 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.181 9.635 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.668 8.961 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.861 9.568 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.630 7.665 -0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.825 8.273 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.708 7.322 -1.527 1.00 0.00 H new ATOM 120 N THR A 11 4.963 12.969 4.356 1.00 0.00 N ATOM 121 CA THR A 11 4.621 13.625 5.611 1.00 0.00 C ATOM 122 C THR A 11 3.738 12.732 6.476 1.00 0.00 C ATOM 123 O THR A 11 3.622 12.940 7.683 1.00 0.00 O ATOM 124 CB THR A 11 3.896 14.962 5.367 1.00 0.00 C ATOM 125 OG1 THR A 11 3.665 15.629 6.613 1.00 0.00 O ATOM 126 CG2 THR A 11 2.571 14.737 4.653 1.00 0.00 C ATOM 0 H THR A 11 4.309 13.148 3.594 1.00 0.00 H new ATOM 0 HA THR A 11 5.559 13.818 6.132 1.00 0.00 H new ATOM 0 HB THR A 11 4.530 15.584 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.692 14.976 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.077 15.695 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.753 14.256 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.933 14.098 5.263 1.00 0.00 H new ATOM 134 N GLU A 12 3.118 11.737 5.849 1.00 0.00 N ATOM 135 CA GLU A 12 2.245 10.812 6.563 1.00 0.00 C ATOM 136 C GLU A 12 2.885 9.431 6.668 1.00 0.00 C ATOM 137 O GLU A 12 2.849 8.797 7.721 1.00 0.00 O ATOM 138 CB GLU A 12 0.891 10.707 5.859 1.00 0.00 C ATOM 139 CG GLU A 12 -0.081 9.762 6.545 1.00 0.00 C ATOM 140 CD GLU A 12 -0.265 10.081 8.016 1.00 0.00 C ATOM 141 OE1 GLU A 12 0.521 9.564 8.837 1.00 0.00 O ATOM 142 OE2 GLU A 12 -1.193 10.848 8.346 1.00 0.00 O ATOM 0 H GLU A 12 3.204 11.551 4.850 1.00 0.00 H new ATOM 0 HA GLU A 12 2.093 11.200 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.442 11.699 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.049 10.371 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.047 9.813 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.279 8.738 6.441 1.00 0.00 H new ATOM 149 N GLY A 13 3.470 8.971 5.566 1.00 0.00 N ATOM 150 CA GLY A 13 4.109 7.668 5.554 1.00 0.00 C ATOM 151 C GLY A 13 3.106 6.531 5.562 1.00 0.00 C ATOM 152 O GLY A 13 1.962 6.704 5.984 1.00 0.00 O ATOM 0 H GLY A 13 3.513 9.477 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.741 7.585 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.762 7.579 6.422 1.00 0.00 H new ATOM 156 N LEU A 14 3.534 5.364 5.092 1.00 0.00 N ATOM 157 CA LEU A 14 2.665 4.193 5.045 1.00 0.00 C ATOM 158 C LEU A 14 2.500 3.581 6.432 1.00 0.00 C ATOM 159 O LEU A 14 3.444 3.546 7.222 1.00 0.00 O ATOM 160 CB LEU A 14 3.233 3.151 4.079 1.00 0.00 C ATOM 161 CG LEU A 14 2.822 3.300 2.614 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.800 2.568 1.708 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.407 2.782 2.402 1.00 0.00 C ATOM 0 H LEU A 14 4.477 5.204 4.738 1.00 0.00 H new ATOM 0 HA LEU A 14 1.685 4.512 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.321 3.187 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.928 2.162 4.422 1.00 0.00 H new ATOM 0 HG LEU A 14 2.843 4.359 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.491 2.685 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.799 2.984 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.812 1.509 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.131 2.896 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.360 1.728 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.715 3.350 3.023 1.00 0.00 H new ATOM 175 N ARG A 15 1.297 3.098 6.720 1.00 0.00 N ATOM 176 CA ARG A 15 1.008 2.486 8.012 1.00 0.00 C ATOM 177 C ARG A 15 0.945 0.966 7.891 1.00 0.00 C ATOM 178 O ARG A 15 0.744 0.428 6.803 1.00 0.00 O ATOM 179 CB ARG A 15 -0.312 3.019 8.570 1.00 0.00 C ATOM 180 CG ARG A 15 -0.319 4.524 8.784 1.00 0.00 C ATOM 181 CD ARG A 15 0.284 4.898 10.129 1.00 0.00 C ATOM 182 NE ARG A 15 -0.443 4.291 11.242 1.00 0.00 N ATOM 183 CZ ARG A 15 0.054 4.177 12.468 1.00 0.00 C ATOM 184 NH1 ARG A 15 1.272 4.626 12.738 1.00 0.00 N ATOM 185 NH2 ARG A 15 -0.668 3.613 13.428 1.00 0.00 N ATOM 0 H ARG A 15 0.506 3.118 6.077 1.00 0.00 H new ATOM 0 HA ARG A 15 1.815 2.746 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.119 2.754 7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.522 2.525 9.518 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.242 5.009 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.342 4.896 8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.326 4.580 10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.278 5.982 10.240 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.383 3.936 11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.830 5.060 12.003 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.651 4.537 13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.606 3.267 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.285 3.526 14.369 1.00 0.00 H new ATOM 199 N ASN A 16 1.118 0.280 9.016 1.00 0.00 N ATOM 200 CA ASN A 16 1.081 -1.178 9.036 1.00 0.00 C ATOM 201 C ASN A 16 -0.283 -1.694 8.588 1.00 0.00 C ATOM 202 O ASN A 16 -1.305 -1.042 8.802 1.00 0.00 O ATOM 203 CB ASN A 16 1.399 -1.697 10.440 1.00 0.00 C ATOM 204 CG ASN A 16 2.708 -1.151 10.976 1.00 0.00 C ATOM 205 OD1 ASN A 16 2.650 0.024 11.593 1.00 0.00 O flip ATOM 206 ND2 ASN A 16 3.758 -1.778 10.837 1.00 0.00 N flip ATOM 0 H ASN A 16 1.285 0.710 9.926 1.00 0.00 H new ATOM 0 HA ASN A 16 1.835 -1.546 8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.590 -1.423 11.117 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.444 -2.786 10.420 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.755 -2.677 10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.631 -1.398 11.203 1.00 0.00 H new ATOM 213 N GLU A 17 -0.289 -2.868 7.964 1.00 0.00 N ATOM 214 CA GLU A 17 -1.528 -3.471 7.485 1.00 0.00 C ATOM 215 C GLU A 17 -1.684 -4.891 8.021 1.00 0.00 C ATOM 216 O GLU A 17 -0.828 -5.387 8.753 1.00 0.00 O ATOM 217 CB GLU A 17 -1.555 -3.485 5.956 1.00 0.00 C ATOM 218 CG GLU A 17 -0.280 -4.023 5.328 1.00 0.00 C ATOM 219 CD GLU A 17 -0.070 -3.522 3.913 1.00 0.00 C ATOM 220 OE1 GLU A 17 -1.049 -3.509 3.137 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.072 -3.143 3.580 1.00 0.00 O ATOM 0 H GLU A 17 0.549 -3.420 7.779 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.361 -2.870 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.398 -4.090 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.728 -2.471 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.573 -3.734 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.314 -5.112 5.322 1.00 0.00 H new ATOM 228 N GLU A 18 -2.784 -5.539 7.651 1.00 0.00 N ATOM 229 CA GLU A 18 -3.053 -6.901 8.096 1.00 0.00 C ATOM 230 C GLU A 18 -4.316 -7.449 7.436 1.00 0.00 C ATOM 231 O GLU A 18 -5.369 -6.813 7.462 1.00 0.00 O ATOM 232 CB GLU A 18 -3.200 -6.945 9.618 1.00 0.00 C ATOM 233 CG GLU A 18 -3.281 -8.354 10.182 1.00 0.00 C ATOM 234 CD GLU A 18 -2.938 -8.413 11.657 1.00 0.00 C ATOM 235 OE1 GLU A 18 -1.787 -8.082 12.012 1.00 0.00 O ATOM 236 OE2 GLU A 18 -3.819 -8.790 12.457 1.00 0.00 O ATOM 0 H GLU A 18 -3.503 -5.143 7.045 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.209 -7.525 7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.353 -6.430 10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.097 -6.396 9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.288 -8.744 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.602 -9.002 9.629 1.00 0.00 H new ATOM 243 N ALA A 19 -4.201 -8.634 6.846 1.00 0.00 N ATOM 244 CA ALA A 19 -5.332 -9.269 6.181 1.00 0.00 C ATOM 245 C ALA A 19 -5.109 -10.770 6.030 1.00 0.00 C ATOM 246 O ALA A 19 -3.978 -11.250 6.112 1.00 0.00 O ATOM 247 CB ALA A 19 -5.572 -8.630 4.822 1.00 0.00 C ATOM 0 H ALA A 19 -3.336 -9.174 6.815 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.216 -9.120 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.419 -9.114 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.786 -7.569 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.683 -8.748 4.202 1.00 0.00 H new ATOM 253 N MET A 20 -6.193 -11.506 5.809 1.00 0.00 N ATOM 254 CA MET A 20 -6.114 -12.953 5.646 1.00 0.00 C ATOM 255 C MET A 20 -5.517 -13.315 4.290 1.00 0.00 C ATOM 256 O MET A 20 -5.136 -12.438 3.516 1.00 0.00 O ATOM 257 CB MET A 20 -7.502 -13.581 5.790 1.00 0.00 C ATOM 258 CG MET A 20 -8.023 -13.583 7.218 1.00 0.00 C ATOM 259 SD MET A 20 -7.207 -14.814 8.253 1.00 0.00 S ATOM 260 CE MET A 20 -7.958 -16.321 7.642 1.00 0.00 C ATOM 0 H MET A 20 -7.136 -11.124 5.739 1.00 0.00 H new ATOM 0 HA MET A 20 -5.463 -13.347 6.427 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.204 -13.039 5.156 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.468 -14.607 5.423 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.880 -12.594 7.654 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.096 -13.775 7.209 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.496 -16.814 8.452 1.00 0.00 H new ATOM 0 HE2 MET A 20 -8.654 -16.081 6.838 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.182 -16.987 7.264 1.00 0.00 H new ATOM 270 N GLU A 21 -5.440 -14.613 4.010 1.00 0.00 N ATOM 271 CA GLU A 21 -4.888 -15.089 2.747 1.00 0.00 C ATOM 272 C GLU A 21 -5.969 -15.156 1.672 1.00 0.00 C ATOM 273 O GLU A 21 -7.107 -15.536 1.943 1.00 0.00 O ATOM 274 CB GLU A 21 -4.251 -16.468 2.931 1.00 0.00 C ATOM 275 CG GLU A 21 -4.196 -17.289 1.654 1.00 0.00 C ATOM 276 CD GLU A 21 -3.114 -18.351 1.689 1.00 0.00 C ATOM 277 OE1 GLU A 21 -3.200 -19.256 2.545 1.00 0.00 O ATOM 278 OE2 GLU A 21 -2.183 -18.277 0.861 1.00 0.00 O ATOM 0 H GLU A 21 -5.752 -15.352 4.640 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.123 -14.383 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.239 -16.343 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.813 -17.021 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.163 -17.766 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.021 -16.625 0.807 1.00 0.00 H new ATOM 285 N GLY A 22 -5.603 -14.782 0.449 1.00 0.00 N ATOM 286 CA GLY A 22 -6.552 -14.805 -0.649 1.00 0.00 C ATOM 287 C GLY A 22 -7.360 -13.526 -0.743 1.00 0.00 C ATOM 288 O GLY A 22 -7.848 -13.171 -1.816 1.00 0.00 O ATOM 0 H GLY A 22 -4.667 -14.464 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.016 -14.962 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.229 -15.650 -0.523 1.00 0.00 H new ATOM 292 N ALA A 23 -7.505 -12.835 0.382 1.00 0.00 N ATOM 293 CA ALA A 23 -8.260 -11.588 0.421 1.00 0.00 C ATOM 294 C ALA A 23 -7.501 -10.465 -0.277 1.00 0.00 C ATOM 295 O ALA A 23 -6.368 -10.649 -0.722 1.00 0.00 O ATOM 296 CB ALA A 23 -8.569 -11.204 1.860 1.00 0.00 C ATOM 0 H ALA A 23 -7.110 -13.117 1.279 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.198 -11.743 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.133 -10.271 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.159 -11.992 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.637 -11.073 2.410 1.00 0.00 H new ATOM 302 N THR A 24 -8.134 -9.300 -0.372 1.00 0.00 N ATOM 303 CA THR A 24 -7.520 -8.147 -1.018 1.00 0.00 C ATOM 304 C THR A 24 -7.160 -7.072 0.001 1.00 0.00 C ATOM 305 O THR A 24 -8.036 -6.491 0.640 1.00 0.00 O ATOM 306 CB THR A 24 -8.452 -7.537 -2.083 1.00 0.00 C ATOM 307 OG1 THR A 24 -8.652 -8.470 -3.151 1.00 0.00 O ATOM 308 CG2 THR A 24 -7.870 -6.244 -2.635 1.00 0.00 C ATOM 0 H THR A 24 -9.072 -9.130 -0.009 1.00 0.00 H new ATOM 0 HA THR A 24 -6.611 -8.504 -1.502 1.00 0.00 H new ATOM 0 HB THR A 24 -9.409 -7.314 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.635 -7.995 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.545 -5.832 -3.385 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.746 -5.526 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.901 -6.447 -3.092 1.00 0.00 H new ATOM 316 N ALA A 25 -5.865 -6.812 0.147 1.00 0.00 N ATOM 317 CA ALA A 25 -5.389 -5.805 1.087 1.00 0.00 C ATOM 318 C ALA A 25 -5.614 -4.398 0.545 1.00 0.00 C ATOM 319 O ALA A 25 -6.122 -4.222 -0.563 1.00 0.00 O ATOM 320 CB ALA A 25 -3.915 -6.024 1.395 1.00 0.00 C ATOM 0 H ALA A 25 -5.127 -7.285 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.961 -5.907 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.573 -5.264 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.778 -7.012 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.336 -5.952 0.474 1.00 0.00 H new ATOM 326 N THR A 26 -5.234 -3.397 1.332 1.00 0.00 N ATOM 327 CA THR A 26 -5.396 -2.005 0.932 1.00 0.00 C ATOM 328 C THR A 26 -4.505 -1.087 1.761 1.00 0.00 C ATOM 329 O THR A 26 -4.535 -1.122 2.992 1.00 0.00 O ATOM 330 CB THR A 26 -6.860 -1.546 1.074 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.744 -2.616 0.722 1.00 0.00 O ATOM 332 CG2 THR A 26 -7.137 -0.340 0.188 1.00 0.00 C ATOM 0 H THR A 26 -4.811 -3.525 2.251 1.00 0.00 H new ATOM 0 HA THR A 26 -5.103 -1.942 -0.116 1.00 0.00 H new ATOM 0 HB THR A 26 -7.030 -1.261 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.384 -3.097 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.177 -0.034 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.482 0.482 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.951 -0.603 -0.853 1.00 0.00 H new ATOM 340 N LEU A 27 -3.714 -0.265 1.080 1.00 0.00 N ATOM 341 CA LEU A 27 -2.814 0.664 1.754 1.00 0.00 C ATOM 342 C LEU A 27 -3.188 2.109 1.440 1.00 0.00 C ATOM 343 O LEU A 27 -3.793 2.392 0.406 1.00 0.00 O ATOM 344 CB LEU A 27 -1.367 0.397 1.337 1.00 0.00 C ATOM 345 CG LEU A 27 -0.727 -0.871 1.904 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.432 -1.321 1.029 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.261 -0.639 3.333 1.00 0.00 C ATOM 0 H LEU A 27 -3.678 -0.223 0.062 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.910 0.509 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.328 0.344 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.760 1.251 1.637 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.477 -1.662 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.875 -2.224 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.069 -1.528 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.184 -0.533 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.192 -1.552 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.474 0.166 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.114 -0.365 3.954 1.00 0.00 H new ATOM 359 N GLN A 28 -2.821 3.019 2.337 1.00 0.00 N ATOM 360 CA GLN A 28 -3.117 4.435 2.154 1.00 0.00 C ATOM 361 C GLN A 28 -1.984 5.302 2.692 1.00 0.00 C ATOM 362 O GLN A 28 -1.364 4.972 3.704 1.00 0.00 O ATOM 363 CB GLN A 28 -4.429 4.797 2.851 1.00 0.00 C ATOM 364 CG GLN A 28 -5.067 6.072 2.323 1.00 0.00 C ATOM 365 CD GLN A 28 -5.942 5.827 1.109 1.00 0.00 C ATOM 366 OE1 GLN A 28 -5.769 6.459 0.067 1.00 0.00 O ATOM 367 NE2 GLN A 28 -6.889 4.904 1.238 1.00 0.00 N ATOM 0 H GLN A 28 -2.318 2.801 3.197 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.218 4.625 1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.133 3.973 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.244 4.908 3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.666 6.528 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.284 6.785 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.997 4.404 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.508 4.695 0.455 1.00 0.00 H new ATOM 376 N CYS A 29 -1.719 6.410 2.010 1.00 0.00 N ATOM 377 CA CYS A 29 -0.659 7.325 2.419 1.00 0.00 C ATOM 378 C CYS A 29 -0.933 8.737 1.912 1.00 0.00 C ATOM 379 O CYS A 29 -1.737 8.934 1.002 1.00 0.00 O ATOM 380 CB CYS A 29 0.694 6.836 1.899 1.00 0.00 C ATOM 381 SG CYS A 29 0.712 6.457 0.131 1.00 0.00 S ATOM 0 H CYS A 29 -2.223 6.697 1.171 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.634 7.349 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.447 7.597 2.104 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.984 5.944 2.454 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.506 6.274 -0.286 1.00 0.00 H new ATOM 387 N GLU A 30 -0.259 9.715 2.508 1.00 0.00 N ATOM 388 CA GLU A 30 -0.432 11.109 2.117 1.00 0.00 C ATOM 389 C GLU A 30 0.915 11.764 1.825 1.00 0.00 C ATOM 390 O GLU A 30 1.912 11.484 2.492 1.00 0.00 O ATOM 391 CB GLU A 30 -1.161 11.884 3.218 1.00 0.00 C ATOM 392 CG GLU A 30 -1.968 13.063 2.700 1.00 0.00 C ATOM 393 CD GLU A 30 -2.687 13.808 3.808 1.00 0.00 C ATOM 394 OE1 GLU A 30 -3.748 13.325 4.256 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.189 14.874 4.225 1.00 0.00 O ATOM 0 H GLU A 30 0.411 9.568 3.263 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.032 11.133 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.827 11.204 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.430 12.245 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.304 13.751 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.698 12.708 1.973 1.00 0.00 H new ATOM 402 N LEU A 31 0.936 12.638 0.824 1.00 0.00 N ATOM 403 CA LEU A 31 2.161 13.333 0.443 1.00 0.00 C ATOM 404 C LEU A 31 1.999 14.842 0.594 1.00 0.00 C ATOM 405 O LEU A 31 0.924 15.389 0.351 1.00 0.00 O ATOM 406 CB LEU A 31 2.536 12.991 -1.000 1.00 0.00 C ATOM 407 CG LEU A 31 2.854 11.522 -1.281 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.661 11.207 -2.756 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.274 11.192 -0.845 1.00 0.00 C ATOM 0 H LEU A 31 0.120 12.882 0.263 1.00 0.00 H new ATOM 0 HA LEU A 31 2.959 13.003 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.715 13.295 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.403 13.590 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 31 2.165 10.904 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.892 10.157 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.627 11.405 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.326 11.833 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.484 10.143 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.978 11.818 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.379 11.379 0.224 1.00 0.00 H new ATOM 421 N SER A 32 3.076 15.510 0.996 1.00 0.00 N ATOM 422 CA SER A 32 3.054 16.956 1.182 1.00 0.00 C ATOM 423 C SER A 32 2.292 17.638 0.049 1.00 0.00 C ATOM 424 O SER A 32 1.683 18.691 0.239 1.00 0.00 O ATOM 425 CB SER A 32 4.480 17.504 1.255 1.00 0.00 C ATOM 426 OG SER A 32 4.508 18.773 1.885 1.00 0.00 O ATOM 0 H SER A 32 3.975 15.072 1.199 1.00 0.00 H new ATOM 0 HA SER A 32 2.542 17.169 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.113 16.808 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.894 17.585 0.250 1.00 0.00 H new ATOM 0 HG SER A 32 5.431 19.100 1.920 1.00 0.00 H new ATOM 432 N LYS A 33 2.331 17.029 -1.132 1.00 0.00 N ATOM 433 CA LYS A 33 1.645 17.574 -2.297 1.00 0.00 C ATOM 434 C LYS A 33 1.484 16.511 -3.379 1.00 0.00 C ATOM 435 O LYS A 33 2.305 15.603 -3.497 1.00 0.00 O ATOM 436 CB LYS A 33 2.416 18.772 -2.855 1.00 0.00 C ATOM 437 CG LYS A 33 3.796 18.416 -3.382 1.00 0.00 C ATOM 438 CD LYS A 33 4.312 19.469 -4.348 1.00 0.00 C ATOM 439 CE LYS A 33 3.886 19.172 -5.777 1.00 0.00 C ATOM 440 NZ LYS A 33 3.804 20.410 -6.600 1.00 0.00 N ATOM 0 H LYS A 33 2.831 16.157 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 33 0.654 17.902 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.835 19.225 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.518 19.524 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.490 18.315 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.757 17.449 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.939 20.449 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.400 19.512 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.596 18.480 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.916 18.675 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.511 20.165 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.108 21.060 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.736 20.871 -6.627 1.00 0.00 H new ATOM 454 N ALA A 34 0.421 16.633 -4.168 1.00 0.00 N ATOM 455 CA ALA A 34 0.155 15.685 -5.243 1.00 0.00 C ATOM 456 C ALA A 34 1.406 15.436 -6.078 1.00 0.00 C ATOM 457 O ALA A 34 2.022 16.373 -6.585 1.00 0.00 O ATOM 458 CB ALA A 34 -0.978 16.191 -6.124 1.00 0.00 C ATOM 0 H ALA A 34 -0.270 17.379 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.144 14.738 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.166 15.473 -6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.880 16.311 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.701 17.152 -6.557 1.00 0.00 H new ATOM 464 N ALA A 35 1.778 14.168 -6.215 1.00 0.00 N ATOM 465 CA ALA A 35 2.955 13.796 -6.990 1.00 0.00 C ATOM 466 C ALA A 35 2.928 12.315 -7.353 1.00 0.00 C ATOM 467 O ALA A 35 2.418 11.478 -6.608 1.00 0.00 O ATOM 468 CB ALA A 35 4.222 14.129 -6.217 1.00 0.00 C ATOM 0 H ALA A 35 1.281 13.380 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 35 2.946 14.370 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.093 13.846 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.253 15.199 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.228 13.581 -5.275 1.00 0.00 H new ATOM 474 N PRO A 36 3.490 11.982 -8.525 1.00 0.00 N ATOM 475 CA PRO A 36 3.543 10.601 -9.013 1.00 0.00 C ATOM 476 C PRO A 36 4.496 9.734 -8.198 1.00 0.00 C ATOM 477 O PRO A 36 5.602 10.157 -7.862 1.00 0.00 O ATOM 478 CB PRO A 36 4.052 10.751 -10.449 1.00 0.00 C ATOM 479 CG PRO A 36 4.814 12.031 -10.448 1.00 0.00 C ATOM 480 CD PRO A 36 4.117 12.928 -9.463 1.00 0.00 C ATOM 0 HA PRO A 36 2.575 10.106 -8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.687 9.912 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.227 10.782 -11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.852 11.867 -10.159 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.827 12.478 -11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.819 13.591 -8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.376 13.561 -9.951 1.00 0.00 H new ATOM 488 N VAL A 37 4.061 8.518 -7.883 1.00 0.00 N ATOM 489 CA VAL A 37 4.877 7.591 -7.108 1.00 0.00 C ATOM 490 C VAL A 37 4.966 6.232 -7.794 1.00 0.00 C ATOM 491 O VAL A 37 4.374 6.020 -8.852 1.00 0.00 O ATOM 492 CB VAL A 37 4.315 7.400 -5.687 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.201 8.739 -4.974 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.966 6.698 -5.738 1.00 0.00 C ATOM 0 H VAL A 37 3.148 8.152 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 37 5.874 8.027 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 37 5.005 6.772 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.802 8.585 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.186 9.200 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.533 9.393 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.583 6.571 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.265 7.298 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.082 5.721 -6.207 1.00 0.00 H new ATOM 504 N GLU A 38 5.710 5.315 -7.184 1.00 0.00 N ATOM 505 CA GLU A 38 5.876 3.976 -7.737 1.00 0.00 C ATOM 506 C GLU A 38 5.986 2.937 -6.624 1.00 0.00 C ATOM 507 O GLU A 38 6.752 3.108 -5.676 1.00 0.00 O ATOM 508 CB GLU A 38 7.119 3.919 -8.628 1.00 0.00 C ATOM 509 CG GLU A 38 7.330 2.568 -9.292 1.00 0.00 C ATOM 510 CD GLU A 38 6.142 2.139 -10.132 1.00 0.00 C ATOM 511 OE1 GLU A 38 5.088 1.814 -9.545 1.00 0.00 O ATOM 512 OE2 GLU A 38 6.266 2.128 -11.374 1.00 0.00 O ATOM 0 H GLU A 38 6.207 5.475 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 38 4.996 3.747 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.038 4.685 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.997 4.161 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.219 2.612 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.519 1.816 -8.526 1.00 0.00 H new ATOM 519 N TRP A 39 5.216 1.863 -6.748 1.00 0.00 N ATOM 520 CA TRP A 39 5.226 0.797 -5.752 1.00 0.00 C ATOM 521 C TRP A 39 6.078 -0.377 -6.221 1.00 0.00 C ATOM 522 O TRP A 39 6.089 -0.715 -7.405 1.00 0.00 O ATOM 523 CB TRP A 39 3.800 0.325 -5.465 1.00 0.00 C ATOM 524 CG TRP A 39 2.868 1.441 -5.100 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.420 2.436 -5.920 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.271 1.674 -3.819 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.581 3.275 -5.227 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.473 2.829 -3.937 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.332 1.020 -2.586 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.744 3.341 -2.866 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.608 1.529 -1.525 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.822 2.680 -1.671 1.00 0.00 C ATOM 0 H TRP A 39 4.577 1.706 -7.527 1.00 0.00 H new ATOM 0 HA TRP A 39 5.661 1.195 -4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.412 -0.191 -6.343 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.822 -0.401 -4.653 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.686 2.547 -6.961 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.114 4.097 -5.611 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.935 0.132 -2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.139 4.229 -2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.648 1.032 -0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.267 3.053 -0.823 1.00 0.00 H new ATOM 543 N ARG A 40 6.791 -0.996 -5.286 1.00 0.00 N ATOM 544 CA ARG A 40 7.647 -2.133 -5.604 1.00 0.00 C ATOM 545 C ARG A 40 7.441 -3.266 -4.604 1.00 0.00 C ATOM 546 O ARG A 40 7.318 -3.033 -3.401 1.00 0.00 O ATOM 547 CB ARG A 40 9.116 -1.706 -5.612 1.00 0.00 C ATOM 548 CG ARG A 40 9.532 -0.977 -6.879 1.00 0.00 C ATOM 549 CD ARG A 40 11.044 -0.962 -7.043 1.00 0.00 C ATOM 550 NE ARG A 40 11.540 -2.191 -7.656 1.00 0.00 N ATOM 551 CZ ARG A 40 12.817 -2.556 -7.642 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.722 -1.790 -7.047 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.191 -3.689 -8.222 1.00 0.00 N ATOM 0 H ARG A 40 6.793 -0.729 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 40 7.375 -2.494 -6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.302 -1.060 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.743 -2.589 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.076 -1.459 -7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.158 0.046 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.334 -0.109 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.513 -0.828 -6.068 1.00 0.00 H new ATOM 0 HE ARG A 40 10.869 -2.803 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.438 -0.919 -6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.702 -2.072 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.498 -4.281 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.172 -3.968 -8.211 1.00 0.00 H new ATOM 567 N LYS A 41 7.404 -4.495 -5.109 1.00 0.00 N ATOM 568 CA LYS A 41 7.214 -5.666 -4.261 1.00 0.00 C ATOM 569 C LYS A 41 8.428 -6.586 -4.324 1.00 0.00 C ATOM 570 O LYS A 41 8.799 -7.069 -5.393 1.00 0.00 O ATOM 571 CB LYS A 41 5.958 -6.430 -4.686 1.00 0.00 C ATOM 572 CG LYS A 41 5.319 -7.224 -3.560 1.00 0.00 C ATOM 573 CD LYS A 41 6.040 -8.540 -3.326 1.00 0.00 C ATOM 574 CE LYS A 41 5.945 -8.976 -1.872 1.00 0.00 C ATOM 575 NZ LYS A 41 6.909 -8.241 -1.008 1.00 0.00 N ATOM 0 H LYS A 41 7.503 -4.706 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 41 7.093 -5.324 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.228 -5.722 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.214 -7.110 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.332 -6.633 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.273 -7.419 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.611 -9.310 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.088 -8.437 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.931 -8.809 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.137 -10.047 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.471 -8.050 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.764 -8.817 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.166 -7.341 -1.462 1.00 0.00 H new ATOM 589 N GLY A 42 9.044 -6.827 -3.170 1.00 0.00 N ATOM 590 CA GLY A 42 10.209 -7.690 -3.117 1.00 0.00 C ATOM 591 C GLY A 42 11.228 -7.356 -4.189 1.00 0.00 C ATOM 592 O GLY A 42 11.663 -8.233 -4.937 1.00 0.00 O ATOM 0 H GLY A 42 8.757 -6.440 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.677 -7.604 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.894 -8.727 -3.230 1.00 0.00 H new ATOM 596 N LEU A 43 11.608 -6.086 -4.266 1.00 0.00 N ATOM 597 CA LEU A 43 12.581 -5.637 -5.256 1.00 0.00 C ATOM 598 C LEU A 43 12.069 -5.880 -6.672 1.00 0.00 C ATOM 599 O LEU A 43 12.832 -6.254 -7.562 1.00 0.00 O ATOM 600 CB LEU A 43 13.914 -6.359 -5.052 1.00 0.00 C ATOM 601 CG LEU A 43 14.797 -5.832 -3.921 1.00 0.00 C ATOM 602 CD1 LEU A 43 14.384 -6.444 -2.592 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.263 -6.120 -4.209 1.00 0.00 C ATOM 0 H LEU A 43 11.257 -5.348 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 43 12.731 -4.566 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.708 -7.413 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.479 -6.305 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 43 14.665 -4.752 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.024 -6.057 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.346 -6.186 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.485 -7.528 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.876 -5.738 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.411 -7.196 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.553 -5.633 -5.140 1.00 0.00 H new ATOM 615 N GLU A 44 10.773 -5.663 -6.872 1.00 0.00 N ATOM 616 CA GLU A 44 10.160 -5.857 -8.181 1.00 0.00 C ATOM 617 C GLU A 44 9.416 -4.601 -8.625 1.00 0.00 C ATOM 618 O GLU A 44 8.987 -3.796 -7.799 1.00 0.00 O ATOM 619 CB GLU A 44 9.199 -7.048 -8.147 1.00 0.00 C ATOM 620 CG GLU A 44 8.689 -7.458 -9.518 1.00 0.00 C ATOM 621 CD GLU A 44 9.753 -8.140 -10.356 1.00 0.00 C ATOM 622 OE1 GLU A 44 9.901 -9.374 -10.239 1.00 0.00 O ATOM 623 OE2 GLU A 44 10.438 -7.438 -11.130 1.00 0.00 O ATOM 0 H GLU A 44 10.128 -5.353 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 44 10.954 -6.060 -8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.703 -7.898 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.349 -6.800 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.839 -8.130 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.326 -6.576 -10.046 1.00 0.00 H new ATOM 630 N ALA A 45 9.267 -4.441 -9.936 1.00 0.00 N ATOM 631 CA ALA A 45 8.574 -3.285 -10.491 1.00 0.00 C ATOM 632 C ALA A 45 7.093 -3.582 -10.701 1.00 0.00 C ATOM 633 O ALA A 45 6.712 -4.238 -11.672 1.00 0.00 O ATOM 634 CB ALA A 45 9.221 -2.861 -11.801 1.00 0.00 C ATOM 0 H ALA A 45 9.617 -5.098 -10.634 1.00 0.00 H new ATOM 0 HA ALA A 45 8.655 -2.466 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.693 -1.997 -12.204 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.264 -2.599 -11.624 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.170 -3.683 -12.515 1.00 0.00 H new ATOM 640 N LEU A 46 6.261 -3.095 -9.786 1.00 0.00 N ATOM 641 CA LEU A 46 4.821 -3.309 -9.871 1.00 0.00 C ATOM 642 C LEU A 46 4.210 -2.465 -10.985 1.00 0.00 C ATOM 643 O LEU A 46 4.597 -1.314 -11.189 1.00 0.00 O ATOM 644 CB LEU A 46 4.156 -2.970 -8.536 1.00 0.00 C ATOM 645 CG LEU A 46 4.615 -3.790 -7.330 1.00 0.00 C ATOM 646 CD1 LEU A 46 3.993 -3.253 -6.051 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.267 -5.259 -7.520 1.00 0.00 C ATOM 0 H LEU A 46 6.559 -2.550 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 46 4.647 -4.360 -10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.333 -1.916 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.079 -3.096 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 46 5.698 -3.702 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.331 -3.849 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.294 -2.215 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.907 -3.309 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.601 -5.827 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.188 -5.366 -7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.762 -5.638 -8.414 1.00 0.00 H new ATOM 659 N ARG A 47 3.252 -3.044 -11.702 1.00 0.00 N ATOM 660 CA ARG A 47 2.587 -2.344 -12.795 1.00 0.00 C ATOM 661 C ARG A 47 1.071 -2.396 -12.631 1.00 0.00 C ATOM 662 O ARG A 47 0.511 -3.432 -12.270 1.00 0.00 O ATOM 663 CB ARG A 47 2.987 -2.957 -14.139 1.00 0.00 C ATOM 664 CG ARG A 47 4.331 -2.469 -14.655 1.00 0.00 C ATOM 665 CD ARG A 47 4.627 -3.018 -16.042 1.00 0.00 C ATOM 666 NE ARG A 47 3.616 -2.615 -17.017 1.00 0.00 N ATOM 667 CZ ARG A 47 2.477 -3.270 -17.207 1.00 0.00 C ATOM 668 NH1 ARG A 47 2.203 -4.353 -16.493 1.00 0.00 N ATOM 669 NH2 ARG A 47 1.607 -2.841 -18.113 1.00 0.00 N ATOM 0 H ARG A 47 2.919 -3.995 -11.546 1.00 0.00 H new ATOM 0 HA ARG A 47 2.902 -1.301 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.018 -4.042 -14.039 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.219 -2.727 -14.877 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.337 -1.379 -14.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.119 -2.773 -13.966 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.606 -2.668 -16.369 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.676 -4.106 -15.999 1.00 0.00 H new ATOM 0 HE ARG A 47 3.795 -1.785 -17.582 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.868 -4.685 -15.795 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.327 -4.854 -16.642 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.813 -2.008 -18.664 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.732 -3.345 -18.259 1.00 0.00 H new ATOM 683 N ASP A 48 0.414 -1.273 -12.897 1.00 0.00 N ATOM 684 CA ASP A 48 -1.037 -1.190 -12.780 1.00 0.00 C ATOM 685 C ASP A 48 -1.719 -2.021 -13.863 1.00 0.00 C ATOM 686 O ASP A 48 -1.415 -1.884 -15.047 1.00 0.00 O ATOM 687 CB ASP A 48 -1.496 0.266 -12.872 1.00 0.00 C ATOM 688 CG ASP A 48 -1.017 0.944 -14.140 1.00 0.00 C ATOM 689 OD1 ASP A 48 0.164 1.349 -14.188 1.00 0.00 O ATOM 690 OD2 ASP A 48 -1.822 1.070 -15.086 1.00 0.00 O ATOM 0 H ASP A 48 0.863 -0.407 -13.195 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.321 -1.591 -11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.585 0.304 -12.832 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.126 0.816 -12.007 1.00 0.00 H new ATOM 695 N GLY A 49 -2.642 -2.884 -13.447 1.00 0.00 N ATOM 696 CA GLY A 49 -3.350 -3.724 -14.394 1.00 0.00 C ATOM 697 C GLY A 49 -4.548 -4.416 -13.773 1.00 0.00 C ATOM 698 O GLY A 49 -5.581 -3.789 -13.536 1.00 0.00 O ATOM 0 H GLY A 49 -2.911 -3.016 -12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.681 -3.117 -15.236 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.666 -4.474 -14.791 1.00 0.00 H new ATOM 702 N ASP A 50 -4.410 -5.710 -13.509 1.00 0.00 N ATOM 703 CA ASP A 50 -5.490 -6.488 -12.912 1.00 0.00 C ATOM 704 C ASP A 50 -5.121 -6.935 -11.501 1.00 0.00 C ATOM 705 O ASP A 50 -5.857 -6.685 -10.546 1.00 0.00 O ATOM 706 CB ASP A 50 -5.809 -7.707 -13.779 1.00 0.00 C ATOM 707 CG ASP A 50 -6.913 -8.563 -13.189 1.00 0.00 C ATOM 708 OD1 ASP A 50 -8.080 -8.120 -13.204 1.00 0.00 O ATOM 709 OD2 ASP A 50 -6.609 -9.677 -12.713 1.00 0.00 O ATOM 0 H ASP A 50 -3.561 -6.243 -13.699 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.373 -5.852 -12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.103 -7.374 -14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.909 -8.311 -13.898 1.00 0.00 H new ATOM 714 N LYS A 51 -3.977 -7.598 -11.376 1.00 0.00 N ATOM 715 CA LYS A 51 -3.509 -8.081 -10.082 1.00 0.00 C ATOM 716 C LYS A 51 -3.490 -6.953 -9.055 1.00 0.00 C ATOM 717 O LYS A 51 -3.830 -7.156 -7.889 1.00 0.00 O ATOM 718 CB LYS A 51 -2.110 -8.686 -10.215 1.00 0.00 C ATOM 719 CG LYS A 51 -1.523 -9.159 -8.896 1.00 0.00 C ATOM 720 CD LYS A 51 -1.887 -10.606 -8.611 1.00 0.00 C ATOM 721 CE LYS A 51 -1.257 -11.095 -7.316 1.00 0.00 C ATOM 722 NZ LYS A 51 0.105 -11.656 -7.539 1.00 0.00 N ATOM 0 H LYS A 51 -3.356 -7.814 -12.156 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.200 -8.851 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.152 -9.527 -10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.443 -7.944 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.438 -9.054 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.886 -8.525 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.971 -10.704 -8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.557 -11.235 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.198 -10.270 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.894 -11.857 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.500 -11.978 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.046 -12.460 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.721 -10.922 -7.944 1.00 0.00 H new ATOM 736 N TYR A 52 -3.093 -5.764 -9.496 1.00 0.00 N ATOM 737 CA TYR A 52 -3.030 -4.604 -8.614 1.00 0.00 C ATOM 738 C TYR A 52 -3.922 -3.479 -9.130 1.00 0.00 C ATOM 739 O TYR A 52 -4.147 -3.352 -10.333 1.00 0.00 O ATOM 740 CB TYR A 52 -1.587 -4.110 -8.490 1.00 0.00 C ATOM 741 CG TYR A 52 -0.628 -5.162 -7.981 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.424 -5.342 -6.618 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.074 -5.976 -8.861 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.451 -6.302 -6.147 1.00 0.00 C ATOM 745 CE2 TYR A 52 0.950 -6.939 -8.399 1.00 0.00 C ATOM 746 CZ TYR A 52 1.136 -7.098 -7.042 1.00 0.00 C ATOM 747 OH TYR A 52 2.009 -8.055 -6.578 1.00 0.00 O ATOM 0 H TYR A 52 -2.810 -5.578 -10.458 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.390 -4.906 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.246 -3.761 -9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.562 -3.252 -7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.959 -4.721 -5.915 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.068 -5.854 -9.925 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.598 -6.429 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.487 -7.564 -9.097 1.00 0.00 H new ATOM 0 HH TYR A 52 2.408 -8.529 -7.337 1.00 0.00 H new ATOM 757 N SER A 53 -4.427 -2.665 -8.209 1.00 0.00 N ATOM 758 CA SER A 53 -5.297 -1.551 -8.568 1.00 0.00 C ATOM 759 C SER A 53 -4.724 -0.229 -8.066 1.00 0.00 C ATOM 760 O SER A 53 -4.992 0.189 -6.939 1.00 0.00 O ATOM 761 CB SER A 53 -6.698 -1.765 -7.990 1.00 0.00 C ATOM 762 OG SER A 53 -7.383 -2.794 -8.682 1.00 0.00 O ATOM 0 H SER A 53 -4.249 -2.756 -7.209 1.00 0.00 H new ATOM 0 HA SER A 53 -5.362 -1.508 -9.655 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.624 -2.020 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.267 -0.838 -8.055 1.00 0.00 H new ATOM 0 HG SER A 53 -7.592 -3.523 -8.061 1.00 0.00 H new ATOM 768 N LEU A 54 -3.933 0.423 -8.911 1.00 0.00 N ATOM 769 CA LEU A 54 -3.320 1.699 -8.555 1.00 0.00 C ATOM 770 C LEU A 54 -4.319 2.842 -8.701 1.00 0.00 C ATOM 771 O LEU A 54 -4.893 3.045 -9.771 1.00 0.00 O ATOM 772 CB LEU A 54 -2.095 1.961 -9.432 1.00 0.00 C ATOM 773 CG LEU A 54 -0.788 1.317 -8.969 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.414 1.807 -7.579 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.905 -0.201 -8.988 1.00 0.00 C ATOM 0 H LEU A 54 -3.701 0.090 -9.847 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.007 1.646 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.313 1.609 -10.440 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.943 3.038 -9.496 1.00 0.00 H new ATOM 0 HG LEU A 54 0.003 1.609 -9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.519 1.338 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.288 2.889 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.205 1.546 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.034 -0.643 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.709 -0.512 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.125 -0.536 -10.002 1.00 0.00 H new ATOM 787 N ARG A 55 -4.519 3.588 -7.620 1.00 0.00 N ATOM 788 CA ARG A 55 -5.448 4.712 -7.628 1.00 0.00 C ATOM 789 C ARG A 55 -5.056 5.748 -6.578 1.00 0.00 C ATOM 790 O ARG A 55 -4.983 5.442 -5.388 1.00 0.00 O ATOM 791 CB ARG A 55 -6.875 4.225 -7.372 1.00 0.00 C ATOM 792 CG ARG A 55 -6.971 3.169 -6.282 1.00 0.00 C ATOM 793 CD ARG A 55 -8.254 2.361 -6.402 1.00 0.00 C ATOM 794 NE ARG A 55 -9.426 3.130 -5.994 1.00 0.00 N ATOM 795 CZ ARG A 55 -10.670 2.670 -6.071 1.00 0.00 C ATOM 796 NH1 ARG A 55 -10.902 1.451 -6.539 1.00 0.00 N ATOM 797 NH2 ARG A 55 -11.685 3.430 -5.680 1.00 0.00 N ATOM 0 H ARG A 55 -4.050 3.435 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.403 5.181 -8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.497 5.077 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.283 3.818 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.112 2.501 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.932 3.649 -5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.379 2.030 -7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.177 1.465 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.282 4.072 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.124 0.864 -6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.858 1.100 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.510 4.368 -5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.640 3.076 -5.740 1.00 0.00 H new ATOM 811 N GLN A 56 -4.806 6.974 -7.028 1.00 0.00 N ATOM 812 CA GLN A 56 -4.421 8.054 -6.127 1.00 0.00 C ATOM 813 C GLN A 56 -5.180 9.335 -6.458 1.00 0.00 C ATOM 814 O GLN A 56 -5.131 9.823 -7.587 1.00 0.00 O ATOM 815 CB GLN A 56 -2.914 8.303 -6.211 1.00 0.00 C ATOM 816 CG GLN A 56 -2.435 8.674 -7.606 1.00 0.00 C ATOM 817 CD GLN A 56 -0.950 8.975 -7.652 1.00 0.00 C ATOM 818 OE1 GLN A 56 -0.184 8.275 -8.314 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.536 10.022 -6.948 1.00 0.00 N ATOM 0 H GLN A 56 -4.863 7.244 -8.010 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.676 7.755 -5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.647 9.102 -5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.387 7.407 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.658 7.857 -8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.989 9.544 -7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.206 10.574 -6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.452 10.274 -6.942 1.00 0.00 H new ATOM 828 N ASP A 57 -5.880 9.874 -5.466 1.00 0.00 N ATOM 829 CA ASP A 57 -6.649 11.099 -5.651 1.00 0.00 C ATOM 830 C ASP A 57 -5.851 12.316 -5.194 1.00 0.00 C ATOM 831 O ASP A 57 -6.029 12.805 -4.080 1.00 0.00 O ATOM 832 CB ASP A 57 -7.968 11.020 -4.881 1.00 0.00 C ATOM 833 CG ASP A 57 -9.017 11.966 -5.430 1.00 0.00 C ATOM 834 OD1 ASP A 57 -9.105 12.100 -6.669 1.00 0.00 O ATOM 835 OD2 ASP A 57 -9.751 12.571 -4.622 1.00 0.00 O ATOM 0 H ASP A 57 -5.931 9.482 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.864 11.206 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.348 9.999 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.787 11.252 -3.832 1.00 0.00 H new ATOM 840 N GLY A 58 -4.969 12.800 -6.064 1.00 0.00 N ATOM 841 CA GLY A 58 -4.155 13.955 -5.731 1.00 0.00 C ATOM 842 C GLY A 58 -2.910 13.581 -4.952 1.00 0.00 C ATOM 843 O GLY A 58 -1.977 12.997 -5.503 1.00 0.00 O ATOM 0 H GLY A 58 -4.804 12.413 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.866 14.468 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.749 14.658 -5.146 1.00 0.00 H new ATOM 847 N ALA A 59 -2.893 13.921 -3.668 1.00 0.00 N ATOM 848 CA ALA A 59 -1.753 13.617 -2.812 1.00 0.00 C ATOM 849 C ALA A 59 -1.995 12.346 -2.005 1.00 0.00 C ATOM 850 O ALA A 59 -1.144 11.925 -1.221 1.00 0.00 O ATOM 851 CB ALA A 59 -1.463 14.787 -1.884 1.00 0.00 C ATOM 0 H ALA A 59 -3.656 14.407 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.885 13.450 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.609 14.546 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.237 15.674 -2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.335 14.981 -1.259 1.00 0.00 H new ATOM 857 N VAL A 60 -3.161 11.739 -2.202 1.00 0.00 N ATOM 858 CA VAL A 60 -3.515 10.515 -1.492 1.00 0.00 C ATOM 859 C VAL A 60 -3.404 9.299 -2.405 1.00 0.00 C ATOM 860 O VAL A 60 -4.223 9.108 -3.304 1.00 0.00 O ATOM 861 CB VAL A 60 -4.945 10.589 -0.925 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.221 9.400 -0.017 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.156 11.899 -0.182 1.00 0.00 C ATOM 0 H VAL A 60 -3.876 12.074 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.810 10.412 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.650 10.552 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.236 9.469 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.113 8.476 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.512 9.402 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.172 11.934 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.445 11.969 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.003 12.734 -0.866 1.00 0.00 H new ATOM 873 N CYS A 61 -2.385 8.480 -2.168 1.00 0.00 N ATOM 874 CA CYS A 61 -2.166 7.280 -2.969 1.00 0.00 C ATOM 875 C CYS A 61 -2.637 6.035 -2.224 1.00 0.00 C ATOM 876 O CYS A 61 -2.450 5.918 -1.013 1.00 0.00 O ATOM 877 CB CYS A 61 -0.686 7.146 -3.329 1.00 0.00 C ATOM 878 SG CYS A 61 0.022 8.618 -4.104 1.00 0.00 S ATOM 0 H CYS A 61 -1.698 8.625 -1.428 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.748 7.373 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.122 6.918 -2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.563 6.299 -4.003 1.00 0.00 H new ATOM 0 HG CYS A 61 1.277 8.408 -4.369 1.00 0.00 H new ATOM 884 N GLU A 62 -3.248 5.110 -2.956 1.00 0.00 N ATOM 885 CA GLU A 62 -3.747 3.874 -2.363 1.00 0.00 C ATOM 886 C GLU A 62 -3.521 2.691 -3.299 1.00 0.00 C ATOM 887 O GLU A 62 -3.933 2.715 -4.460 1.00 0.00 O ATOM 888 CB GLU A 62 -5.237 4.004 -2.038 1.00 0.00 C ATOM 889 CG GLU A 62 -5.944 2.669 -1.882 1.00 0.00 C ATOM 890 CD GLU A 62 -7.406 2.823 -1.507 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.193 3.278 -2.363 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.762 2.488 -0.358 1.00 0.00 O ATOM 0 H GLU A 62 -3.410 5.192 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.195 3.695 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.351 4.576 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.725 4.574 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.869 2.111 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.437 2.081 -1.117 1.00 0.00 H new ATOM 899 N LEU A 63 -2.863 1.657 -2.788 1.00 0.00 N ATOM 900 CA LEU A 63 -2.580 0.463 -3.577 1.00 0.00 C ATOM 901 C LEU A 63 -3.382 -0.730 -3.066 1.00 0.00 C ATOM 902 O LEU A 63 -3.418 -0.996 -1.865 1.00 0.00 O ATOM 903 CB LEU A 63 -1.085 0.143 -3.537 1.00 0.00 C ATOM 904 CG LEU A 63 -0.675 -1.219 -4.097 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.371 -1.116 -5.583 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.528 -1.766 -3.341 1.00 0.00 C ATOM 0 H LEU A 63 -2.515 1.621 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.875 0.660 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.553 0.916 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.748 0.204 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.507 -1.910 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.081 -2.095 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.258 -0.769 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.444 -0.410 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.806 -2.736 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.365 -1.076 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.275 -1.879 -2.287 1.00 0.00 H new ATOM 918 N GLN A 64 -4.020 -1.446 -3.987 1.00 0.00 N ATOM 919 CA GLN A 64 -4.819 -2.611 -3.628 1.00 0.00 C ATOM 920 C GLN A 64 -4.248 -3.877 -4.259 1.00 0.00 C ATOM 921 O GLN A 64 -3.958 -3.910 -5.455 1.00 0.00 O ATOM 922 CB GLN A 64 -6.270 -2.417 -4.071 1.00 0.00 C ATOM 923 CG GLN A 64 -7.279 -3.109 -3.169 1.00 0.00 C ATOM 924 CD GLN A 64 -8.619 -3.319 -3.846 1.00 0.00 C ATOM 925 OE1 GLN A 64 -8.703 -3.400 -5.072 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.678 -3.409 -3.049 1.00 0.00 N ATOM 0 H GLN A 64 -3.999 -1.240 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.789 -2.721 -2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.493 -1.350 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.385 -2.795 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.879 -4.074 -2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.421 -2.515 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.563 -3.336 -2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.606 -3.551 -3.448 1.00 0.00 H new ATOM 935 N ILE A 65 -4.089 -4.917 -3.447 1.00 0.00 N ATOM 936 CA ILE A 65 -3.553 -6.185 -3.926 1.00 0.00 C ATOM 937 C ILE A 65 -4.642 -7.250 -3.998 1.00 0.00 C ATOM 938 O ILE A 65 -5.221 -7.631 -2.979 1.00 0.00 O ATOM 939 CB ILE A 65 -2.413 -6.692 -3.023 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.354 -5.603 -2.842 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.793 -7.951 -3.610 1.00 0.00 C ATOM 942 CD1 ILE A 65 -1.661 -4.643 -1.714 1.00 0.00 C ATOM 0 H ILE A 65 -4.324 -4.906 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.159 -6.003 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.825 -6.937 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.389 -6.074 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.260 -5.041 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.989 -8.297 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.554 -8.727 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.391 -7.732 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.868 -3.898 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.611 -4.145 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.726 -5.193 -0.775 1.00 0.00 H new ATOM 954 N HIS A 66 -4.916 -7.728 -5.207 1.00 0.00 N ATOM 955 CA HIS A 66 -5.934 -8.752 -5.412 1.00 0.00 C ATOM 956 C HIS A 66 -5.333 -10.149 -5.290 1.00 0.00 C ATOM 957 O HIS A 66 -4.223 -10.401 -5.758 1.00 0.00 O ATOM 958 CB HIS A 66 -6.589 -8.584 -6.784 1.00 0.00 C ATOM 959 CG HIS A 66 -7.450 -7.363 -6.891 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.723 -7.292 -6.366 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.213 -6.160 -7.464 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.233 -6.099 -6.615 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.337 -5.393 -7.279 1.00 0.00 N ATOM 0 H HIS A 66 -4.447 -7.423 -6.060 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.693 -8.633 -4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.811 -8.538 -7.546 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.194 -9.465 -6.999 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.197 -8.043 -5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.309 -5.859 -7.972 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.216 -5.759 -6.325 1.00 0.00 H new ATOM 971 N GLY A 67 -6.073 -11.054 -4.658 1.00 0.00 N ATOM 972 CA GLY A 67 -5.596 -12.414 -4.485 1.00 0.00 C ATOM 973 C GLY A 67 -4.367 -12.489 -3.602 1.00 0.00 C ATOM 974 O GLY A 67 -3.244 -12.607 -4.095 1.00 0.00 O ATOM 0 H GLY A 67 -6.995 -10.870 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.390 -13.022 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.365 -12.842 -5.461 1.00 0.00 H new ATOM 978 N LEU A 68 -4.576 -12.418 -2.292 1.00 0.00 N ATOM 979 CA LEU A 68 -3.476 -12.477 -1.336 1.00 0.00 C ATOM 980 C LEU A 68 -2.944 -13.901 -1.206 1.00 0.00 C ATOM 981 O LEU A 68 -3.641 -14.866 -1.517 1.00 0.00 O ATOM 982 CB LEU A 68 -3.932 -11.964 0.030 1.00 0.00 C ATOM 983 CG LEU A 68 -3.841 -10.453 0.245 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.775 -10.015 1.362 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.409 -10.043 0.553 1.00 0.00 C ATOM 0 H LEU A 68 -5.498 -12.319 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.672 -11.840 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.967 -12.271 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.336 -12.456 0.798 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.150 -9.956 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.696 -8.937 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.801 -10.273 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.498 -10.521 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.364 -8.964 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.072 -10.550 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.764 -10.321 -0.280 1.00 0.00 H new ATOM 997 N ALA A 69 -1.704 -14.024 -0.742 1.00 0.00 N ATOM 998 CA ALA A 69 -1.080 -15.329 -0.566 1.00 0.00 C ATOM 999 C ALA A 69 0.153 -15.233 0.325 1.00 0.00 C ATOM 1000 O ALA A 69 0.637 -14.139 0.615 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.712 -15.924 -1.917 1.00 0.00 C ATOM 0 H ALA A 69 -1.112 -13.235 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.799 -15.985 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.247 -16.899 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.612 -16.038 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.013 -15.262 -2.428 1.00 0.00 H new ATOM 1007 N MET A 70 0.656 -16.384 0.759 1.00 0.00 N ATOM 1008 CA MET A 70 1.834 -16.428 1.618 1.00 0.00 C ATOM 1009 C MET A 70 2.972 -15.606 1.022 1.00 0.00 C ATOM 1010 O MET A 70 3.427 -14.633 1.621 1.00 0.00 O ATOM 1011 CB MET A 70 2.287 -17.875 1.824 1.00 0.00 C ATOM 1012 CG MET A 70 1.555 -18.586 2.951 1.00 0.00 C ATOM 1013 SD MET A 70 1.857 -17.832 4.560 1.00 0.00 S ATOM 1014 CE MET A 70 0.190 -17.399 5.050 1.00 0.00 C ATOM 0 H MET A 70 0.266 -17.298 0.530 1.00 0.00 H new ATOM 0 HA MET A 70 1.566 -15.998 2.583 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.137 -18.429 0.898 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.357 -17.886 2.033 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.485 -18.578 2.746 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.866 -19.630 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.063 -16.318 4.993 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.523 -17.883 4.383 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.013 -17.732 6.073 1.00 0.00 H new ATOM 1024 N ALA A 71 3.428 -16.006 -0.161 1.00 0.00 N ATOM 1025 CA ALA A 71 4.512 -15.305 -0.838 1.00 0.00 C ATOM 1026 C ALA A 71 4.120 -13.866 -1.158 1.00 0.00 C ATOM 1027 O ALA A 71 4.963 -13.054 -1.540 1.00 0.00 O ATOM 1028 CB ALA A 71 4.904 -16.042 -2.110 1.00 0.00 C ATOM 0 H ALA A 71 3.064 -16.811 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 71 5.370 -15.280 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.714 -15.507 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.234 -17.050 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.044 -16.097 -2.778 1.00 0.00 H new ATOM 1034 N ASP A 72 2.838 -13.558 -1.000 1.00 0.00 N ATOM 1035 CA ASP A 72 2.335 -12.216 -1.271 1.00 0.00 C ATOM 1036 C ASP A 72 2.710 -11.257 -0.145 1.00 0.00 C ATOM 1037 O ASP A 72 2.737 -10.042 -0.335 1.00 0.00 O ATOM 1038 CB ASP A 72 0.816 -12.244 -1.450 1.00 0.00 C ATOM 1039 CG ASP A 72 0.323 -11.158 -2.385 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.774 -11.128 -3.549 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.512 -10.336 -1.952 1.00 0.00 O ATOM 0 H ASP A 72 2.128 -14.219 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 72 2.795 -11.862 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.517 -13.217 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.336 -12.128 -0.478 1.00 0.00 H new ATOM 1046 N ASN A 73 2.996 -11.813 1.027 1.00 0.00 N ATOM 1047 CA ASN A 73 3.368 -11.007 2.185 1.00 0.00 C ATOM 1048 C ASN A 73 4.840 -10.611 2.122 1.00 0.00 C ATOM 1049 O ASN A 73 5.663 -11.328 1.556 1.00 0.00 O ATOM 1050 CB ASN A 73 3.089 -11.775 3.478 1.00 0.00 C ATOM 1051 CG ASN A 73 3.891 -13.059 3.572 1.00 0.00 C ATOM 1052 OD1 ASN A 73 4.915 -13.215 2.906 1.00 0.00 O ATOM 1053 ND2 ASN A 73 3.428 -13.986 4.403 1.00 0.00 N ATOM 0 H ASN A 73 2.978 -12.818 1.201 1.00 0.00 H new ATOM 0 HA ASN A 73 2.765 -10.099 2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.323 -11.140 4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.026 -12.009 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.925 -14.870 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.575 -13.814 4.935 1.00 0.00 H new ATOM 1060 N GLY A 74 5.164 -9.463 2.710 1.00 0.00 N ATOM 1061 CA GLY A 74 6.536 -8.991 2.710 1.00 0.00 C ATOM 1062 C GLY A 74 6.645 -7.525 3.077 1.00 0.00 C ATOM 1063 O GLY A 74 5.723 -6.953 3.659 1.00 0.00 O ATOM 0 H GLY A 74 4.501 -8.852 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.121 -9.583 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.971 -9.149 1.723 1.00 0.00 H new ATOM 1067 N VAL A 75 7.776 -6.914 2.738 1.00 0.00 N ATOM 1068 CA VAL A 75 8.003 -5.505 3.036 1.00 0.00 C ATOM 1069 C VAL A 75 7.833 -4.645 1.788 1.00 0.00 C ATOM 1070 O VAL A 75 8.748 -4.529 0.972 1.00 0.00 O ATOM 1071 CB VAL A 75 9.410 -5.273 3.617 1.00 0.00 C ATOM 1072 CG1 VAL A 75 9.644 -3.793 3.877 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.599 -6.083 4.891 1.00 0.00 C ATOM 0 H VAL A 75 8.549 -7.373 2.257 1.00 0.00 H new ATOM 0 HA VAL A 75 7.259 -5.215 3.778 1.00 0.00 H new ATOM 0 HB VAL A 75 10.146 -5.609 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.644 -3.649 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.553 -3.240 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.904 -3.427 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.599 -5.908 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.856 -5.779 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.478 -7.143 4.669 1.00 0.00 H new ATOM 1083 N TYR A 76 6.657 -4.044 1.646 1.00 0.00 N ATOM 1084 CA TYR A 76 6.365 -3.196 0.497 1.00 0.00 C ATOM 1085 C TYR A 76 7.208 -1.924 0.531 1.00 0.00 C ATOM 1086 O TYR A 76 7.792 -1.581 1.558 1.00 0.00 O ATOM 1087 CB TYR A 76 4.879 -2.836 0.466 1.00 0.00 C ATOM 1088 CG TYR A 76 3.984 -3.992 0.081 1.00 0.00 C ATOM 1089 CD1 TYR A 76 3.643 -4.970 1.008 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.481 -4.108 -1.208 1.00 0.00 C ATOM 1091 CE1 TYR A 76 2.826 -6.029 0.661 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.662 -5.163 -1.564 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.337 -6.120 -0.625 1.00 0.00 C ATOM 1094 OH TYR A 76 1.523 -7.173 -0.976 1.00 0.00 O ATOM 0 H TYR A 76 5.890 -4.129 2.313 1.00 0.00 H new ATOM 0 HA TYR A 76 6.615 -3.753 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.582 -2.469 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.726 -2.019 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.023 -4.901 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.734 -3.361 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.572 -6.781 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.279 -5.238 -2.571 1.00 0.00 H new ATOM 0 HH TYR A 76 1.971 -8.018 -0.764 1.00 0.00 H new ATOM 1104 N SER A 77 7.264 -1.229 -0.601 1.00 0.00 N ATOM 1105 CA SER A 77 8.037 0.003 -0.703 1.00 0.00 C ATOM 1106 C SER A 77 7.366 0.987 -1.657 1.00 0.00 C ATOM 1107 O SER A 77 6.830 0.595 -2.694 1.00 0.00 O ATOM 1108 CB SER A 77 9.458 -0.299 -1.181 1.00 0.00 C ATOM 1109 OG SER A 77 9.444 -0.996 -2.414 1.00 0.00 O ATOM 0 H SER A 77 6.784 -1.498 -1.460 1.00 0.00 H new ATOM 0 HA SER A 77 8.083 0.457 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.013 0.632 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.979 -0.893 -0.430 1.00 0.00 H new ATOM 0 HG SER A 77 10.364 -1.176 -2.699 1.00 0.00 H new ATOM 1115 N CYS A 78 7.401 2.266 -1.299 1.00 0.00 N ATOM 1116 CA CYS A 78 6.796 3.307 -2.122 1.00 0.00 C ATOM 1117 C CYS A 78 7.797 4.420 -2.413 1.00 0.00 C ATOM 1118 O CYS A 78 8.045 5.283 -1.571 1.00 0.00 O ATOM 1119 CB CYS A 78 5.562 3.884 -1.426 1.00 0.00 C ATOM 1120 SG CYS A 78 4.546 4.943 -2.482 1.00 0.00 S ATOM 0 H CYS A 78 7.842 2.607 -0.445 1.00 0.00 H new ATOM 0 HA CYS A 78 6.494 2.858 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.949 3.062 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.883 4.457 -0.557 1.00 0.00 H new ATOM 0 HG CYS A 78 3.526 5.381 -1.805 1.00 0.00 H new ATOM 1126 N VAL A 79 8.372 4.393 -3.611 1.00 0.00 N ATOM 1127 CA VAL A 79 9.348 5.399 -4.014 1.00 0.00 C ATOM 1128 C VAL A 79 8.672 6.568 -4.721 1.00 0.00 C ATOM 1129 O VAL A 79 8.057 6.398 -5.774 1.00 0.00 O ATOM 1130 CB VAL A 79 10.420 4.801 -4.944 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.448 5.857 -5.323 1.00 0.00 C ATOM 1132 CG2 VAL A 79 11.090 3.605 -4.285 1.00 0.00 C ATOM 0 H VAL A 79 8.179 3.685 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 79 9.828 5.757 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 79 9.933 4.458 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.197 5.416 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.952 6.679 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.932 6.233 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.845 3.195 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.564 3.920 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.342 2.842 -4.070 1.00 0.00 H new ATOM 1142 N CYS A 80 8.790 7.755 -4.136 1.00 0.00 N ATOM 1143 CA CYS A 80 8.189 8.954 -4.710 1.00 0.00 C ATOM 1144 C CYS A 80 9.238 9.797 -5.428 1.00 0.00 C ATOM 1145 O CYS A 80 8.976 10.360 -6.490 1.00 0.00 O ATOM 1146 CB CYS A 80 7.511 9.783 -3.618 1.00 0.00 C ATOM 1147 SG CYS A 80 8.625 10.319 -2.299 1.00 0.00 S ATOM 0 H CYS A 80 9.296 7.913 -3.265 1.00 0.00 H new ATOM 0 HA CYS A 80 7.439 8.642 -5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 80 7.056 10.662 -4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.703 9.197 -3.181 1.00 0.00 H new ATOM 0 HG CYS A 80 8.348 9.671 -1.207 1.00 0.00 H new ATOM 1153 N GLY A 81 10.427 9.880 -4.839 1.00 0.00 N ATOM 1154 CA GLY A 81 11.498 10.658 -5.435 1.00 0.00 C ATOM 1155 C GLY A 81 12.842 10.384 -4.792 1.00 0.00 C ATOM 1156 O GLY A 81 13.543 9.449 -5.178 1.00 0.00 O ATOM 0 H GLY A 81 10.668 9.422 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.556 10.434 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.265 11.719 -5.345 1.00 0.00 H new ATOM 1160 N GLN A 82 13.203 11.201 -3.808 1.00 0.00 N ATOM 1161 CA GLN A 82 14.474 11.043 -3.111 1.00 0.00 C ATOM 1162 C GLN A 82 14.338 10.068 -1.946 1.00 0.00 C ATOM 1163 O GLN A 82 15.263 9.314 -1.645 1.00 0.00 O ATOM 1164 CB GLN A 82 14.974 12.396 -2.604 1.00 0.00 C ATOM 1165 CG GLN A 82 15.429 13.332 -3.713 1.00 0.00 C ATOM 1166 CD GLN A 82 15.549 14.770 -3.251 1.00 0.00 C ATOM 1167 OE1 GLN A 82 14.948 15.166 -2.251 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.329 15.562 -3.977 1.00 0.00 N ATOM 0 H GLN A 82 12.633 11.979 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 82 15.199 10.638 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.178 12.879 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.803 12.233 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.393 12.995 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.722 13.278 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.808 15.192 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.449 16.540 -3.714 1.00 0.00 H new ATOM 1177 N GLU A 83 13.180 10.091 -1.294 1.00 0.00 N ATOM 1178 CA GLU A 83 12.925 9.209 -0.161 1.00 0.00 C ATOM 1179 C GLU A 83 11.857 8.175 -0.505 1.00 0.00 C ATOM 1180 O GLU A 83 11.154 8.304 -1.508 1.00 0.00 O ATOM 1181 CB GLU A 83 12.488 10.024 1.059 1.00 0.00 C ATOM 1182 CG GLU A 83 11.116 10.659 0.906 1.00 0.00 C ATOM 1183 CD GLU A 83 11.174 12.017 0.233 1.00 0.00 C ATOM 1184 OE1 GLU A 83 11.855 12.916 0.769 1.00 0.00 O ATOM 1185 OE2 GLU A 83 10.538 12.180 -0.829 1.00 0.00 O ATOM 0 H GLU A 83 12.404 10.710 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 83 13.851 8.684 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.484 9.376 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.223 10.807 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.476 9.996 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.657 10.764 1.889 1.00 0.00 H new ATOM 1192 N ARG A 84 11.741 7.151 0.333 1.00 0.00 N ATOM 1193 CA ARG A 84 10.761 6.094 0.117 1.00 0.00 C ATOM 1194 C ARG A 84 10.362 5.444 1.439 1.00 0.00 C ATOM 1195 O ARG A 84 11.186 5.289 2.341 1.00 0.00 O ATOM 1196 CB ARG A 84 11.321 5.036 -0.835 1.00 0.00 C ATOM 1197 CG ARG A 84 12.501 4.266 -0.264 1.00 0.00 C ATOM 1198 CD ARG A 84 13.785 5.076 -0.342 1.00 0.00 C ATOM 1199 NE ARG A 84 14.967 4.223 -0.420 1.00 0.00 N ATOM 1200 CZ ARG A 84 16.181 4.612 -0.045 1.00 0.00 C ATOM 1201 NH1 ARG A 84 16.371 5.834 0.431 1.00 0.00 N ATOM 1202 NH2 ARG A 84 17.208 3.777 -0.146 1.00 0.00 N ATOM 0 H ARG A 84 12.314 7.031 1.168 1.00 0.00 H new ATOM 0 HA ARG A 84 9.874 6.542 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.528 4.333 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.628 5.520 -1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.298 4.004 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.626 3.331 -0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.750 5.727 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.861 5.721 0.534 1.00 0.00 H new ATOM 0 HE ARG A 84 14.855 3.276 -0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.584 6.478 0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.304 6.130 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.066 2.836 -0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.139 4.077 0.142 1.00 0.00 H new ATOM 1216 N THR A 85 9.092 5.065 1.547 1.00 0.00 N ATOM 1217 CA THR A 85 8.583 4.434 2.758 1.00 0.00 C ATOM 1218 C THR A 85 8.351 2.942 2.545 1.00 0.00 C ATOM 1219 O THR A 85 8.108 2.496 1.424 1.00 0.00 O ATOM 1220 CB THR A 85 7.267 5.086 3.221 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.909 4.600 4.519 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.143 4.793 2.238 1.00 0.00 C ATOM 0 H THR A 85 8.397 5.184 0.810 1.00 0.00 H new ATOM 0 HA THR A 85 9.340 4.575 3.529 1.00 0.00 H new ATOM 0 HB THR A 85 7.418 6.164 3.266 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.557 5.338 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.223 5.264 2.586 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.405 5.190 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.994 3.716 2.166 1.00 0.00 H new ATOM 1230 N SER A 86 8.428 2.175 3.628 1.00 0.00 N ATOM 1231 CA SER A 86 8.229 0.732 3.558 1.00 0.00 C ATOM 1232 C SER A 86 7.330 0.253 4.694 1.00 0.00 C ATOM 1233 O SER A 86 7.402 0.758 5.813 1.00 0.00 O ATOM 1234 CB SER A 86 9.575 0.007 3.617 1.00 0.00 C ATOM 1235 OG SER A 86 10.423 0.420 2.559 1.00 0.00 O ATOM 0 H SER A 86 8.627 2.529 4.564 1.00 0.00 H new ATOM 0 HA SER A 86 7.742 0.502 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.058 0.207 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.415 -1.070 3.560 1.00 0.00 H new ATOM 0 HG SER A 86 11.277 -0.056 2.620 1.00 0.00 H new ATOM 1241 N ALA A 87 6.483 -0.727 4.395 1.00 0.00 N ATOM 1242 CA ALA A 87 5.571 -1.278 5.390 1.00 0.00 C ATOM 1243 C ALA A 87 5.684 -2.797 5.458 1.00 0.00 C ATOM 1244 O ALA A 87 6.531 -3.397 4.796 1.00 0.00 O ATOM 1245 CB ALA A 87 4.139 -0.867 5.078 1.00 0.00 C ATOM 0 H ALA A 87 6.410 -1.155 3.472 1.00 0.00 H new ATOM 0 HA ALA A 87 5.850 -0.876 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.469 -1.285 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.062 0.220 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.859 -1.241 4.093 1.00 0.00 H new ATOM 1251 N THR A 88 4.826 -3.415 6.264 1.00 0.00 N ATOM 1252 CA THR A 88 4.832 -4.864 6.420 1.00 0.00 C ATOM 1253 C THR A 88 3.416 -5.427 6.373 1.00 0.00 C ATOM 1254 O THR A 88 2.560 -5.051 7.174 1.00 0.00 O ATOM 1255 CB THR A 88 5.495 -5.283 7.746 1.00 0.00 C ATOM 1256 OG1 THR A 88 6.661 -4.487 7.984 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.877 -6.756 7.717 1.00 0.00 C ATOM 0 H THR A 88 4.118 -2.934 6.819 1.00 0.00 H new ATOM 0 HA THR A 88 5.410 -5.270 5.589 1.00 0.00 H new ATOM 0 HB THR A 88 4.778 -5.125 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.076 -4.759 8.829 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.343 -7.030 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.983 -7.361 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.579 -6.934 6.902 1.00 0.00 H new ATOM 1265 N LEU A 89 3.176 -6.331 5.429 1.00 0.00 N ATOM 1266 CA LEU A 89 1.862 -6.947 5.277 1.00 0.00 C ATOM 1267 C LEU A 89 1.852 -8.357 5.861 1.00 0.00 C ATOM 1268 O LEU A 89 2.614 -9.224 5.432 1.00 0.00 O ATOM 1269 CB LEU A 89 1.466 -6.991 3.801 1.00 0.00 C ATOM 1270 CG LEU A 89 0.139 -7.682 3.482 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -1.025 -6.726 3.695 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.142 -8.212 2.056 1.00 0.00 C ATOM 0 H LEU A 89 3.873 -6.653 4.758 1.00 0.00 H new ATOM 0 HA LEU A 89 1.138 -6.342 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.419 -5.968 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.258 -7.496 3.248 1.00 0.00 H new ATOM 0 HG LEU A 89 0.019 -8.526 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.961 -7.235 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.039 -6.396 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.910 -5.862 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.810 -8.700 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.286 -7.385 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.952 -8.931 1.937 1.00 0.00 H new ATOM 1284 N THR A 90 0.982 -8.580 6.841 1.00 0.00 N ATOM 1285 CA THR A 90 0.871 -9.884 7.482 1.00 0.00 C ATOM 1286 C THR A 90 -0.294 -10.682 6.908 1.00 0.00 C ATOM 1287 O THR A 90 -1.458 -10.373 7.165 1.00 0.00 O ATOM 1288 CB THR A 90 0.683 -9.746 9.005 1.00 0.00 C ATOM 1289 OG1 THR A 90 1.913 -9.338 9.615 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.221 -11.061 9.614 1.00 0.00 C ATOM 0 H THR A 90 0.344 -7.874 7.208 1.00 0.00 H new ATOM 0 HA THR A 90 1.803 -10.414 7.284 1.00 0.00 H new ATOM 0 HB THR A 90 -0.081 -8.991 9.188 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.785 -9.251 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.095 -10.939 10.690 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.729 -11.354 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.966 -11.833 9.421 1.00 0.00 H new ATOM 1298 N VAL A 91 0.026 -11.710 6.129 1.00 0.00 N ATOM 1299 CA VAL A 91 -0.994 -12.554 5.519 1.00 0.00 C ATOM 1300 C VAL A 91 -1.172 -13.852 6.299 1.00 0.00 C ATOM 1301 O VAL A 91 -0.208 -14.577 6.544 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.645 -12.890 4.057 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.641 -13.888 3.486 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.603 -11.624 3.215 1.00 0.00 C ATOM 0 H VAL A 91 0.984 -11.979 5.905 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.926 -11.989 5.541 1.00 0.00 H new ATOM 0 HB VAL A 91 0.344 -13.347 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.378 -14.113 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.616 -14.805 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.644 -13.462 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.355 -11.880 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.577 -11.136 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.153 -10.947 3.613 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.411 -14.138 6.686 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.715 -15.349 7.440 1.00 0.00 C ATOM 1316 C ARG A 92 -3.306 -16.421 6.529 1.00 0.00 C ATOM 1317 O ARG A 92 -4.227 -16.156 5.758 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.690 -15.036 8.576 1.00 0.00 C ATOM 1319 CG ARG A 92 -3.021 -14.451 9.809 1.00 0.00 C ATOM 1320 CD ARG A 92 -4.004 -14.307 10.961 1.00 0.00 C ATOM 1321 NE ARG A 92 -3.340 -13.913 12.200 1.00 0.00 N ATOM 1322 CZ ARG A 92 -2.921 -12.677 12.449 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -3.097 -11.720 11.548 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -2.325 -12.396 13.601 1.00 0.00 N ATOM 0 H ARG A 92 -3.220 -13.548 6.490 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.785 -15.728 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.443 -14.335 8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.214 -15.950 8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.193 -15.091 10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.598 -13.476 9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.759 -13.565 10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.525 -15.252 11.113 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.189 -14.626 12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.555 -11.932 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.774 -10.772 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.188 -13.129 14.297 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.004 -11.447 13.791 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.768 -17.633 6.625 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.242 -18.746 5.812 1.00 0.00 C ATOM 1340 C ALA A 93 -4.526 -19.337 6.385 1.00 0.00 C ATOM 1341 O ALA A 93 -4.638 -19.549 7.593 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.167 -19.817 5.705 1.00 0.00 C ATOM 0 H ALA A 93 -2.004 -17.869 7.258 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.462 -18.367 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.535 -20.642 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.276 -19.393 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.919 -20.184 6.701 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.492 -19.600 5.512 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.769 -20.167 5.932 1.00 0.00 C ATOM 1350 C LEU A 94 -6.621 -21.645 6.279 1.00 0.00 C ATOM 1351 O LEU A 94 -5.824 -22.370 5.685 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.814 -19.992 4.828 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.368 -18.578 4.646 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -7.459 -17.761 3.741 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.781 -18.628 4.083 1.00 0.00 C ATOM 0 H LEU A 94 -5.416 -19.430 4.509 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.099 -19.635 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.373 -20.312 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.647 -20.663 5.035 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.404 -18.093 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.869 -16.758 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.466 -17.697 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.390 -18.242 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.160 -17.613 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.770 -19.131 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.427 -19.176 4.769 1.00 0.00 H new